USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 657 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 57 GLN : amide:sc= -0.0259 X(o=-0.026,f=0) USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.095 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -1.42 K(o=-1.4,f=-6.6!) USER MOD Single : A 6 GLN : amide:sc= -0.0751 X(o=-0.075,f=-0.11) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00735 K(o=-0.0074,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.316 USER MOD Single : A 32 HIS : no HD1:sc=-0.00274 X(o=-0.0027,f=0) USER MOD Single : A 33 SER OG : rot -26:sc= 0.558 USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= 1.12 (180deg=0.557) USER MOD Single : A 47 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.8!) USER MOD Single : A 56 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.1) USER MOD Single : A 59 LYS NZ :NH3+ 157:sc= 0.69 (180deg=0.425) USER MOD Single : A 61 SER OG : rot 82:sc= 1.06 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 148:sc= 1.22 (180deg=0.492) USER MOD Single : A 70 SER OG : rot 137:sc= 0.645 USER MOD Single : A 74 CYS SG : rot 180:sc= -0.0293 USER MOD Single : A 77 MET CE :methyl 157:sc= -0.0567 (180deg=-0.449) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 60:sc= 0.54 USER MOD Single : A 82 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.77) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.502 -2.027 -7.658 1.00 20.02 N ATOM 2 CA GLY A 1 14.750 -1.601 -6.476 1.00 23.32 C ATOM 3 C GLY A 1 15.677 -1.009 -5.443 1.00 4.21 C ATOM 4 O GLY A 1 16.876 -1.282 -5.464 1.00 55.55 O ATOM 0 H1 GLY A 1 15.069 -2.886 -8.054 1.00 20.02 H new ATOM 0 H2 GLY A 1 15.485 -1.270 -8.371 1.00 20.02 H new ATOM 0 H3 GLY A 1 16.486 -2.228 -7.389 1.00 20.02 H new ATOM 0 HA2 GLY A 1 13.998 -0.866 -6.762 1.00 23.32 H new ATOM 0 HA3 GLY A 1 14.218 -2.452 -6.050 1.00 23.32 H new ATOM 8 N SER A 2 15.130 -0.182 -4.558 1.00 13.33 N ATOM 9 CA SER A 2 15.866 0.377 -3.441 1.00 22.42 C ATOM 10 C SER A 2 15.934 -0.626 -2.290 1.00 2.24 C ATOM 11 O SER A 2 15.360 -1.722 -2.324 1.00 3.13 O ATOM 12 CB SER A 2 15.200 1.684 -2.989 1.00 74.42 C ATOM 13 OG SER A 2 16.164 2.704 -2.833 1.00 75.22 O ATOM 0 H SER A 2 14.156 0.118 -4.600 1.00 13.33 H new ATOM 0 HA SER A 2 16.887 0.594 -3.756 1.00 22.42 H new ATOM 0 HB2 SER A 2 14.453 1.991 -3.722 1.00 74.42 H new ATOM 0 HB3 SER A 2 14.675 1.525 -2.047 1.00 74.42 H new ATOM 0 HG SER A 2 15.722 3.530 -2.546 1.00 75.22 H new ATOM 19 N GLU A 3 16.594 -0.197 -1.215 1.00 14.23 N ATOM 20 CA GLU A 3 16.729 -0.991 -0.005 1.00 35.14 C ATOM 21 C GLU A 3 15.365 -1.354 0.608 1.00 41.31 C ATOM 22 O GLU A 3 15.239 -2.435 1.183 1.00 74.03 O ATOM 23 CB GLU A 3 17.647 -0.296 1.001 1.00 14.24 C ATOM 24 CG GLU A 3 17.118 1.023 1.587 1.00 34.23 C ATOM 25 CD GLU A 3 17.421 1.101 3.086 1.00 13.53 C ATOM 26 OE1 GLU A 3 18.563 1.464 3.459 1.00 40.45 O ATOM 27 OE2 GLU A 3 16.534 0.772 3.900 1.00 54.15 O ATOM 0 H GLU A 3 17.050 0.714 -1.163 1.00 14.23 H new ATOM 0 HA GLU A 3 17.197 -1.936 -0.281 1.00 35.14 H new ATOM 0 HB2 GLU A 3 17.842 -0.985 1.823 1.00 14.24 H new ATOM 0 HB3 GLU A 3 18.603 -0.099 0.516 1.00 14.24 H new ATOM 0 HG2 GLU A 3 17.577 1.867 1.072 1.00 34.23 H new ATOM 0 HG3 GLU A 3 16.043 1.096 1.423 1.00 34.23 H new ATOM 34 N ASN A 4 14.339 -0.511 0.410 1.00 35.30 N ATOM 35 CA ASN A 4 12.998 -0.677 0.975 1.00 40.25 C ATOM 36 C ASN A 4 12.394 -2.058 0.682 1.00 44.22 C ATOM 37 O ASN A 4 11.650 -2.582 1.504 1.00 32.44 O ATOM 38 CB ASN A 4 12.042 0.433 0.497 1.00 60.35 C ATOM 39 CG ASN A 4 11.600 0.223 -0.946 1.00 41.45 C ATOM 40 OD1 ASN A 4 10.765 -0.622 -1.222 1.00 43.15 O ATOM 41 ND2 ASN A 4 12.180 0.943 -1.893 1.00 21.31 N ATOM 0 H ASN A 4 14.426 0.327 -0.164 1.00 35.30 H new ATOM 0 HA ASN A 4 13.118 -0.597 2.055 1.00 40.25 H new ATOM 0 HB2 ASN A 4 11.165 0.460 1.144 1.00 60.35 H new ATOM 0 HB3 ASN A 4 12.536 1.401 0.588 1.00 60.35 H new ATOM 0 HD21 ASN A 4 11.931 0.795 -2.871 1.00 21.31 H new ATOM 0 HD22 ASN A 4 12.876 1.646 -1.645 1.00 21.31 H new ATOM 48 N PHE A 5 12.732 -2.668 -0.458 1.00 74.25 N ATOM 49 CA PHE A 5 12.149 -3.931 -0.892 1.00 21.44 C ATOM 50 C PHE A 5 12.321 -5.012 0.182 1.00 3.43 C ATOM 51 O PHE A 5 11.390 -5.758 0.492 1.00 3.51 O ATOM 52 CB PHE A 5 12.821 -4.320 -2.212 1.00 54.33 C ATOM 53 CG PHE A 5 12.326 -5.617 -2.814 1.00 14.10 C ATOM 54 CD1 PHE A 5 11.006 -5.715 -3.295 1.00 64.35 C ATOM 55 CD2 PHE A 5 13.177 -6.738 -2.858 1.00 70.02 C ATOM 56 CE1 PHE A 5 10.550 -6.933 -3.830 1.00 31.31 C ATOM 57 CE2 PHE A 5 12.720 -7.950 -3.401 1.00 31.13 C ATOM 58 CZ PHE A 5 11.409 -8.043 -3.903 1.00 24.40 C ATOM 0 H PHE A 5 13.423 -2.292 -1.107 1.00 74.25 H new ATOM 0 HA PHE A 5 11.075 -3.827 -1.046 1.00 21.44 H new ATOM 0 HB2 PHE A 5 12.666 -3.518 -2.933 1.00 54.33 H new ATOM 0 HB3 PHE A 5 13.896 -4.398 -2.048 1.00 54.33 H new ATOM 0 HD1 PHE A 5 10.348 -4.860 -3.253 1.00 64.35 H new ATOM 0 HD2 PHE A 5 14.184 -6.666 -2.473 1.00 70.02 H new ATOM 0 HE1 PHE A 5 9.534 -7.016 -4.187 1.00 31.31 H new ATOM 0 HE2 PHE A 5 13.374 -8.809 -3.433 1.00 31.13 H new ATOM 0 HZ PHE A 5 11.063 -8.966 -4.344 1.00 24.40 H new ATOM 68 N GLN A 6 13.515 -5.055 0.772 1.00 71.14 N ATOM 69 CA GLN A 6 13.888 -6.016 1.790 1.00 31.12 C ATOM 70 C GLN A 6 13.056 -5.853 3.065 1.00 11.13 C ATOM 71 O GLN A 6 12.597 -6.858 3.602 1.00 72.24 O ATOM 72 CB GLN A 6 15.396 -5.898 2.072 1.00 73.21 C ATOM 73 CG GLN A 6 15.919 -6.967 3.041 1.00 11.53 C ATOM 74 CD GLN A 6 15.707 -8.373 2.490 1.00 30.24 C ATOM 75 OE1 GLN A 6 16.483 -8.861 1.665 1.00 32.42 O ATOM 76 NE2 GLN A 6 14.604 -9.009 2.839 1.00 52.55 N ATOM 0 H GLN A 6 14.264 -4.402 0.544 1.00 71.14 H new ATOM 0 HA GLN A 6 13.676 -7.019 1.419 1.00 31.12 H new ATOM 0 HB2 GLN A 6 15.941 -5.973 1.131 1.00 73.21 H new ATOM 0 HB3 GLN A 6 15.605 -4.911 2.484 1.00 73.21 H new ATOM 0 HG2 GLN A 6 16.981 -6.804 3.226 1.00 11.53 H new ATOM 0 HG3 GLN A 6 15.410 -6.870 4.000 1.00 11.53 H new ATOM 0 HE21 GLN A 6 13.971 -8.594 3.523 1.00 52.55 H new ATOM 0 HE22 GLN A 6 14.385 -9.915 2.425 1.00 52.55 H new ATOM 85 N THR A 7 12.876 -4.628 3.570 1.00 33.30 N ATOM 86 CA THR A 7 12.133 -4.403 4.812 1.00 70.25 C ATOM 87 C THR A 7 10.638 -4.676 4.597 1.00 21.13 C ATOM 88 O THR A 7 9.968 -5.160 5.507 1.00 2.51 O ATOM 89 CB THR A 7 12.449 -3.005 5.387 1.00 32.13 C ATOM 90 OG1 THR A 7 11.753 -2.724 6.581 1.00 25.03 O ATOM 91 CG2 THR A 7 12.207 -1.854 4.426 1.00 64.02 C ATOM 0 H THR A 7 13.235 -3.777 3.137 1.00 33.30 H new ATOM 0 HA THR A 7 12.457 -5.112 5.573 1.00 70.25 H new ATOM 0 HB THR A 7 13.519 -3.070 5.585 1.00 32.13 H new ATOM 0 HG1 THR A 7 11.994 -1.828 6.897 1.00 25.03 H new ATOM 0 HG21 THR A 7 12.456 -0.913 4.916 1.00 64.02 H new ATOM 0 HG22 THR A 7 12.833 -1.980 3.543 1.00 64.02 H new ATOM 0 HG23 THR A 7 11.158 -1.842 4.129 1.00 64.02 H new ATOM 99 N LEU A 8 10.102 -4.459 3.391 1.00 11.13 N ATOM 100 CA LEU A 8 8.726 -4.843 3.090 1.00 50.41 C ATOM 101 C LEU A 8 8.586 -6.365 3.191 1.00 10.11 C ATOM 102 O LEU A 8 7.661 -6.860 3.836 1.00 21.31 O ATOM 103 CB LEU A 8 8.334 -4.344 1.693 1.00 62.01 C ATOM 104 CG LEU A 8 7.855 -2.878 1.574 1.00 51.52 C ATOM 105 CD1 LEU A 8 8.438 -1.868 2.569 1.00 63.22 C ATOM 106 CD2 LEU A 8 8.172 -2.387 0.158 1.00 60.02 C ATOM 0 H LEU A 8 10.599 -4.022 2.615 1.00 11.13 H new ATOM 0 HA LEU A 8 8.052 -4.384 3.813 1.00 50.41 H new ATOM 0 HB2 LEU A 8 9.193 -4.473 1.035 1.00 62.01 H new ATOM 0 HB3 LEU A 8 7.542 -4.990 1.314 1.00 62.01 H new ATOM 0 HG LEU A 8 6.791 -2.916 1.809 1.00 51.52 H new ATOM 0 HD11 LEU A 8 8.018 -0.881 2.374 1.00 63.22 H new ATOM 0 HD12 LEU A 8 8.190 -2.174 3.585 1.00 63.22 H new ATOM 0 HD13 LEU A 8 9.521 -1.830 2.456 1.00 63.22 H new ATOM 0 HD21 LEU A 8 7.843 -1.354 0.049 1.00 60.02 H new ATOM 0 HD22 LEU A 8 9.246 -2.446 -0.016 1.00 60.02 H new ATOM 0 HD23 LEU A 8 7.652 -3.012 -0.569 1.00 60.02 H new ATOM 118 N LEU A 9 9.508 -7.105 2.572 1.00 25.42 N ATOM 119 CA LEU A 9 9.537 -8.567 2.603 1.00 3.10 C ATOM 120 C LEU A 9 9.800 -9.138 4.008 1.00 5.54 C ATOM 121 O LEU A 9 9.585 -10.334 4.217 1.00 54.41 O ATOM 122 CB LEU A 9 10.614 -9.067 1.624 1.00 12.51 C ATOM 123 CG LEU A 9 10.196 -9.079 0.142 1.00 30.00 C ATOM 124 CD1 LEU A 9 11.394 -9.516 -0.701 1.00 52.24 C ATOM 125 CD2 LEU A 9 9.037 -10.043 -0.154 1.00 61.11 C ATOM 0 H LEU A 9 10.267 -6.698 2.026 1.00 25.42 H new ATOM 0 HA LEU A 9 8.549 -8.920 2.306 1.00 3.10 H new ATOM 0 HB2 LEU A 9 11.499 -8.440 1.731 1.00 12.51 H new ATOM 0 HB3 LEU A 9 10.903 -10.078 1.912 1.00 12.51 H new ATOM 0 HG LEU A 9 9.861 -8.071 -0.101 1.00 30.00 H new ATOM 0 HD11 LEU A 9 11.113 -9.529 -1.754 1.00 52.24 H new ATOM 0 HD12 LEU A 9 12.217 -8.816 -0.554 1.00 52.24 H new ATOM 0 HD13 LEU A 9 11.708 -10.514 -0.397 1.00 52.24 H new ATOM 0 HD21 LEU A 9 8.792 -10.003 -1.215 1.00 61.11 H new ATOM 0 HD22 LEU A 9 9.331 -11.058 0.112 1.00 61.11 H new ATOM 0 HD23 LEU A 9 8.164 -9.753 0.431 1.00 61.11 H new ATOM 137 N ASP A 10 10.267 -8.320 4.955 1.00 31.42 N ATOM 138 CA ASP A 10 10.480 -8.653 6.371 1.00 31.43 C ATOM 139 C ASP A 10 9.202 -8.406 7.176 1.00 34.11 C ATOM 140 O ASP A 10 8.766 -9.248 7.965 1.00 10.33 O ATOM 141 CB ASP A 10 11.624 -7.778 6.903 1.00 10.14 C ATOM 142 CG ASP A 10 12.019 -8.052 8.356 1.00 13.51 C ATOM 143 OD1 ASP A 10 11.152 -8.025 9.262 1.00 44.15 O ATOM 144 OD2 ASP A 10 13.237 -8.143 8.620 1.00 43.52 O ATOM 0 H ASP A 10 10.521 -7.355 4.746 1.00 31.42 H new ATOM 0 HA ASP A 10 10.738 -9.707 6.471 1.00 31.43 H new ATOM 0 HB2 ASP A 10 12.499 -7.924 6.270 1.00 10.14 H new ATOM 0 HB3 ASP A 10 11.335 -6.731 6.811 1.00 10.14 H new ATOM 149 N ALA A 11 8.529 -7.287 6.891 1.00 32.43 N ATOM 150 CA ALA A 11 7.324 -6.758 7.528 1.00 32.01 C ATOM 151 C ALA A 11 6.078 -7.620 7.261 1.00 74.14 C ATOM 152 O ALA A 11 4.941 -7.172 7.438 1.00 22.02 O ATOM 153 CB ALA A 11 7.134 -5.318 7.032 1.00 22.34 C ATOM 0 H ALA A 11 8.845 -6.674 6.139 1.00 32.43 H new ATOM 0 HA ALA A 11 7.451 -6.777 8.610 1.00 32.01 H new ATOM 0 HB1 ALA A 11 6.241 -4.891 7.488 1.00 22.34 H new ATOM 0 HB2 ALA A 11 8.003 -4.721 7.307 1.00 22.34 H new ATOM 0 HB3 ALA A 11 7.022 -5.318 5.948 1.00 22.34 H new ATOM 159 N GLY A 12 6.289 -8.849 6.798 1.00 54.21 N ATOM 160 CA GLY A 12 5.301 -9.875 6.566 1.00 44.45 C ATOM 161 C GLY A 12 4.509 -9.647 5.287 1.00 30.10 C ATOM 162 O GLY A 12 3.475 -10.287 5.104 1.00 13.51 O ATOM 0 H GLY A 12 7.228 -9.168 6.560 1.00 54.21 H new ATOM 0 HA2 GLY A 12 5.795 -10.845 6.515 1.00 44.45 H new ATOM 0 HA3 GLY A 12 4.615 -9.911 7.412 1.00 44.45 H new ATOM 166 N LEU A 13 4.950 -8.728 4.420 1.00 5.24 N ATOM 167 CA LEU A 13 4.265 -8.423 3.172 1.00 21.10 C ATOM 168 C LEU A 13 4.737 -9.407 2.092 1.00 41.32 C ATOM 169 O LEU A 13 5.904 -9.817 2.092 1.00 41.41 O ATOM 170 CB LEU A 13 4.537 -6.971 2.739 1.00 13.20 C ATOM 171 CG LEU A 13 4.122 -5.916 3.790 1.00 21.43 C ATOM 172 CD1 LEU A 13 4.750 -4.547 3.513 1.00 3.21 C ATOM 173 CD2 LEU A 13 2.596 -5.782 3.820 1.00 2.21 C ATOM 0 H LEU A 13 5.795 -8.177 4.571 1.00 5.24 H new ATOM 0 HA LEU A 13 3.190 -8.528 3.316 1.00 21.10 H new ATOM 0 HB2 LEU A 13 5.600 -6.859 2.526 1.00 13.20 H new ATOM 0 HB3 LEU A 13 4.003 -6.773 1.810 1.00 13.20 H new ATOM 0 HG LEU A 13 4.487 -6.260 4.758 1.00 21.43 H new ATOM 0 HD11 LEU A 13 4.430 -3.839 4.277 1.00 3.21 H new ATOM 0 HD12 LEU A 13 5.836 -4.635 3.532 1.00 3.21 H new ATOM 0 HD13 LEU A 13 4.431 -4.192 2.533 1.00 3.21 H new ATOM 0 HD21 LEU A 13 2.311 -5.037 4.563 1.00 2.21 H new ATOM 0 HD22 LEU A 13 2.239 -5.471 2.838 1.00 2.21 H new ATOM 0 HD23 LEU A 13 2.151 -6.743 4.080 1.00 2.21 H new ATOM 185 N PRO A 14 3.861 -9.803 1.155 1.00 53.45 N ATOM 186 CA PRO A 14 4.239 -10.660 0.041 1.00 23.00 C ATOM 187 C PRO A 14 5.119 -9.935 -0.984 1.00 34.30 C ATOM 188 O PRO A 14 5.216 -8.707 -1.017 1.00 5.51 O ATOM 189 CB PRO A 14 2.933 -11.129 -0.595 1.00 4.22 C ATOM 190 CG PRO A 14 1.888 -10.125 -0.130 1.00 31.23 C ATOM 191 CD PRO A 14 2.432 -9.543 1.164 1.00 10.13 C ATOM 0 HA PRO A 14 4.840 -11.497 0.396 1.00 23.00 H new ATOM 0 HB2 PRO A 14 3.007 -11.147 -1.682 1.00 4.22 H new ATOM 0 HB3 PRO A 14 2.679 -12.140 -0.276 1.00 4.22 H new ATOM 0 HG2 PRO A 14 1.733 -9.346 -0.876 1.00 31.23 H new ATOM 0 HG3 PRO A 14 0.924 -10.608 0.031 1.00 31.23 H new ATOM 0 HD2 PRO A 14 2.231 -8.473 1.225 1.00 10.13 H new ATOM 0 HD3 PRO A 14 1.957 -10.006 2.029 1.00 10.13 H new ATOM 199 N GLN A 15 5.710 -10.716 -1.891 1.00 5.40 N ATOM 200 CA GLN A 15 6.674 -10.266 -2.870 1.00 41.25 C ATOM 201 C GLN A 15 5.994 -9.424 -3.914 1.00 4.40 C ATOM 202 O GLN A 15 6.522 -8.372 -4.255 1.00 42.35 O ATOM 203 CB GLN A 15 7.346 -11.490 -3.498 1.00 65.13 C ATOM 204 CG GLN A 15 8.317 -11.083 -4.619 1.00 70.33 C ATOM 205 CD GLN A 15 9.273 -12.207 -5.010 1.00 1.14 C ATOM 206 OE1 GLN A 15 9.379 -13.237 -4.356 1.00 54.23 O ATOM 207 NE2 GLN A 15 9.992 -12.048 -6.103 1.00 64.45 N ATOM 0 H GLN A 15 5.516 -11.715 -1.957 1.00 5.40 H new ATOM 0 HA GLN A 15 7.435 -9.650 -2.392 1.00 41.25 H new ATOM 0 HB2 GLN A 15 7.886 -12.045 -2.730 1.00 65.13 H new ATOM 0 HB3 GLN A 15 6.585 -12.159 -3.899 1.00 65.13 H new ATOM 0 HG2 GLN A 15 7.745 -10.777 -5.495 1.00 70.33 H new ATOM 0 HG3 GLN A 15 8.894 -10.217 -4.297 1.00 70.33 H new ATOM 0 HE21 GLN A 15 9.906 -11.191 -6.650 1.00 64.45 H new ATOM 0 HE22 GLN A 15 10.634 -12.782 -6.402 1.00 64.45 H new ATOM 216 N LYS A 16 4.869 -9.885 -4.465 1.00 50.15 N ATOM 217 CA LYS A 16 4.282 -9.178 -5.572 1.00 30.14 C ATOM 218 C LYS A 16 3.865 -7.771 -5.165 1.00 50.41 C ATOM 219 O LYS A 16 4.071 -6.822 -5.911 1.00 11.03 O ATOM 220 CB LYS A 16 3.119 -9.999 -6.140 1.00 25.20 C ATOM 221 CG LYS A 16 3.220 -10.090 -7.655 1.00 50.24 C ATOM 222 CD LYS A 16 2.531 -9.003 -8.478 1.00 32.20 C ATOM 223 CE LYS A 16 2.779 -9.452 -9.916 1.00 35.22 C ATOM 224 NZ LYS A 16 2.285 -8.514 -10.948 1.00 13.02 N ATOM 0 H LYS A 16 4.369 -10.721 -4.164 1.00 50.15 H new ATOM 0 HA LYS A 16 5.023 -9.056 -6.362 1.00 30.14 H new ATOM 0 HB2 LYS A 16 3.128 -11.000 -5.708 1.00 25.20 H new ATOM 0 HB3 LYS A 16 2.171 -9.540 -5.860 1.00 25.20 H new ATOM 0 HG2 LYS A 16 4.277 -10.093 -7.921 1.00 50.24 H new ATOM 0 HG3 LYS A 16 2.811 -11.053 -7.961 1.00 50.24 H new ATOM 0 HD2 LYS A 16 1.466 -8.940 -8.253 1.00 32.20 H new ATOM 0 HD3 LYS A 16 2.957 -8.019 -8.283 1.00 32.20 H new ATOM 0 HE2 LYS A 16 3.850 -9.597 -10.058 1.00 35.22 H new ATOM 0 HE3 LYS A 16 2.304 -10.421 -10.067 1.00 35.22 H new ATOM 0 HZ1 LYS A 16 2.494 -8.896 -11.893 1.00 13.02 H new ATOM 0 HZ2 LYS A 16 1.257 -8.392 -10.843 1.00 13.02 H new ATOM 0 HZ3 LYS A 16 2.756 -7.594 -10.834 1.00 13.02 H new ATOM 238 N VAL A 17 3.312 -7.646 -3.962 1.00 50.42 N ATOM 239 CA VAL A 17 2.993 -6.368 -3.351 1.00 31.53 C ATOM 240 C VAL A 17 4.298 -5.569 -3.201 1.00 72.15 C ATOM 241 O VAL A 17 4.399 -4.488 -3.780 1.00 52.14 O ATOM 242 CB VAL A 17 2.237 -6.654 -2.035 1.00 24.40 C ATOM 243 CG1 VAL A 17 1.932 -5.435 -1.170 1.00 43.32 C ATOM 244 CG2 VAL A 17 0.887 -7.307 -2.346 1.00 4.24 C ATOM 0 H VAL A 17 3.070 -8.446 -3.378 1.00 50.42 H new ATOM 0 HA VAL A 17 2.332 -5.745 -3.954 1.00 31.53 H new ATOM 0 HB VAL A 17 2.917 -7.295 -1.474 1.00 24.40 H new ATOM 0 HG11 VAL A 17 1.400 -5.750 -0.272 1.00 43.32 H new ATOM 0 HG12 VAL A 17 2.865 -4.947 -0.887 1.00 43.32 H new ATOM 0 HG13 VAL A 17 1.313 -4.736 -1.732 1.00 43.32 H new ATOM 0 HG21 VAL A 17 0.357 -7.507 -1.415 1.00 4.24 H new ATOM 0 HG22 VAL A 17 0.292 -6.636 -2.965 1.00 4.24 H new ATOM 0 HG23 VAL A 17 1.050 -8.244 -2.879 1.00 4.24 H new ATOM 254 N ALA A 18 5.312 -6.108 -2.506 1.00 34.42 N ATOM 255 CA ALA A 18 6.597 -5.445 -2.267 1.00 2.52 C ATOM 256 C ALA A 18 7.259 -4.918 -3.541 1.00 12.23 C ATOM 257 O ALA A 18 7.776 -3.803 -3.543 1.00 61.03 O ATOM 258 CB ALA A 18 7.554 -6.384 -1.519 1.00 42.13 C ATOM 0 H ALA A 18 5.257 -7.036 -2.087 1.00 34.42 H new ATOM 0 HA ALA A 18 6.380 -4.573 -1.650 1.00 2.52 H new ATOM 0 HB1 ALA A 18 8.503 -5.876 -1.350 1.00 42.13 H new ATOM 0 HB2 ALA A 18 7.115 -6.663 -0.561 1.00 42.13 H new ATOM 0 HB3 ALA A 18 7.723 -7.281 -2.115 1.00 42.13 H new ATOM 264 N GLU A 19 7.230 -5.694 -4.623 1.00 15.43 N ATOM 265 CA GLU A 19 7.797 -5.318 -5.907 1.00 14.43 C ATOM 266 C GLU A 19 7.199 -3.999 -6.392 1.00 23.43 C ATOM 267 O GLU A 19 7.927 -3.087 -6.783 1.00 0.14 O ATOM 268 CB GLU A 19 7.521 -6.403 -6.956 1.00 14.30 C ATOM 269 CG GLU A 19 8.527 -7.559 -6.986 1.00 44.14 C ATOM 270 CD GLU A 19 8.903 -7.809 -8.442 1.00 73.51 C ATOM 271 OE1 GLU A 19 8.191 -8.601 -9.098 1.00 43.13 O ATOM 272 OE2 GLU A 19 9.787 -7.094 -8.968 1.00 2.02 O ATOM 0 H GLU A 19 6.802 -6.620 -4.627 1.00 15.43 H new ATOM 0 HA GLU A 19 8.873 -5.204 -5.775 1.00 14.43 H new ATOM 0 HB2 GLU A 19 6.527 -6.813 -6.777 1.00 14.30 H new ATOM 0 HB3 GLU A 19 7.500 -5.936 -7.941 1.00 14.30 H new ATOM 0 HG2 GLU A 19 9.412 -7.311 -6.400 1.00 44.14 H new ATOM 0 HG3 GLU A 19 8.093 -8.456 -6.544 1.00 44.14 H new ATOM 279 N LYS A 20 5.869 -3.900 -6.431 1.00 1.14 N ATOM 280 CA LYS A 20 5.213 -2.684 -6.905 1.00 74.24 C ATOM 281 C LYS A 20 5.348 -1.576 -5.867 1.00 11.12 C ATOM 282 O LYS A 20 5.374 -0.406 -6.244 1.00 41.02 O ATOM 283 CB LYS A 20 3.739 -2.957 -7.236 1.00 43.11 C ATOM 284 CG LYS A 20 3.505 -3.581 -8.626 1.00 1.03 C ATOM 285 CD LYS A 20 4.083 -4.990 -8.835 1.00 63.31 C ATOM 286 CE LYS A 20 5.476 -5.052 -9.474 1.00 54.14 C ATOM 287 NZ LYS A 20 5.458 -4.738 -10.913 1.00 42.02 N ATOM 0 H LYS A 20 5.231 -4.642 -6.142 1.00 1.14 H new ATOM 0 HA LYS A 20 5.703 -2.355 -7.821 1.00 74.24 H new ATOM 0 HB2 LYS A 20 3.326 -3.622 -6.478 1.00 43.11 H new ATOM 0 HB3 LYS A 20 3.185 -2.020 -7.174 1.00 43.11 H new ATOM 0 HG2 LYS A 20 2.431 -3.619 -8.810 1.00 1.03 H new ATOM 0 HG3 LYS A 20 3.934 -2.918 -9.377 1.00 1.03 H new ATOM 0 HD2 LYS A 20 4.125 -5.492 -7.868 1.00 63.31 H new ATOM 0 HD3 LYS A 20 3.392 -5.557 -9.459 1.00 63.31 H new ATOM 0 HE2 LYS A 20 6.137 -4.352 -8.962 1.00 54.14 H new ATOM 0 HE3 LYS A 20 5.893 -6.049 -9.329 1.00 54.14 H new ATOM 0 HZ1 LYS A 20 6.424 -4.795 -11.293 1.00 42.02 H new ATOM 0 HZ2 LYS A 20 4.850 -5.420 -11.410 1.00 42.02 H new ATOM 0 HZ3 LYS A 20 5.087 -3.777 -11.054 1.00 42.02 H new ATOM 301 N LEU A 21 5.451 -1.912 -4.580 1.00 74.23 N ATOM 302 CA LEU A 21 5.569 -0.926 -3.518 1.00 44.42 C ATOM 303 C LEU A 21 6.907 -0.198 -3.585 1.00 41.54 C ATOM 304 O LEU A 21 6.965 0.994 -3.314 1.00 35.13 O ATOM 305 CB LEU A 21 5.380 -1.581 -2.140 1.00 71.01 C ATOM 306 CG LEU A 21 4.097 -1.098 -1.440 1.00 52.23 C ATOM 307 CD1 LEU A 21 3.066 -2.207 -1.297 1.00 34.22 C ATOM 308 CD2 LEU A 21 4.347 -0.522 -0.068 1.00 44.15 C ATOM 0 H LEU A 21 5.454 -2.877 -4.250 1.00 74.23 H new ATOM 0 HA LEU A 21 4.778 -0.190 -3.661 1.00 44.42 H new ATOM 0 HB2 LEU A 21 5.343 -2.664 -2.256 1.00 71.01 H new ATOM 0 HB3 LEU A 21 6.242 -1.357 -1.511 1.00 71.01 H new ATOM 0 HG LEU A 21 3.715 -0.312 -2.092 1.00 52.23 H new ATOM 0 HD11 LEU A 21 2.179 -1.817 -0.797 1.00 34.22 H new ATOM 0 HD12 LEU A 21 2.792 -2.579 -2.284 1.00 34.22 H new ATOM 0 HD13 LEU A 21 3.487 -3.021 -0.707 1.00 34.22 H new ATOM 0 HD21 LEU A 21 3.402 -0.201 0.370 1.00 44.15 H new ATOM 0 HD22 LEU A 21 4.802 -1.281 0.568 1.00 44.15 H new ATOM 0 HD23 LEU A 21 5.018 0.333 -0.149 1.00 44.15 H new ATOM 320 N ASP A 22 7.972 -0.890 -3.976 1.00 14.44 N ATOM 321 CA ASP A 22 9.324 -0.338 -4.110 1.00 42.34 C ATOM 322 C ASP A 22 9.336 0.911 -4.989 1.00 34.10 C ATOM 323 O ASP A 22 9.883 1.953 -4.638 1.00 60.05 O ATOM 324 CB ASP A 22 10.248 -1.438 -4.645 1.00 61.14 C ATOM 325 CG ASP A 22 11.550 -0.921 -5.267 1.00 64.45 C ATOM 326 OD1 ASP A 22 12.316 -0.201 -4.590 1.00 32.11 O ATOM 327 OD2 ASP A 22 11.846 -1.361 -6.412 1.00 20.03 O ATOM 0 H ASP A 22 7.921 -1.880 -4.217 1.00 14.44 H new ATOM 0 HA ASP A 22 9.688 -0.015 -3.135 1.00 42.34 H new ATOM 0 HB2 ASP A 22 10.494 -2.118 -3.830 1.00 61.14 H new ATOM 0 HB3 ASP A 22 9.707 -2.019 -5.393 1.00 61.14 H new ATOM 332 N GLU A 23 8.609 0.842 -6.094 1.00 62.13 N ATOM 333 CA GLU A 23 8.399 1.927 -7.039 1.00 35.40 C ATOM 334 C GLU A 23 7.636 3.111 -6.459 1.00 35.14 C ATOM 335 O GLU A 23 7.620 4.179 -7.073 1.00 15.30 O ATOM 336 CB GLU A 23 7.605 1.346 -8.205 1.00 52.15 C ATOM 337 CG GLU A 23 8.540 0.907 -9.331 1.00 72.55 C ATOM 338 CD GLU A 23 8.596 2.018 -10.375 1.00 53.13 C ATOM 339 OE1 GLU A 23 7.655 2.056 -11.202 1.00 43.41 O ATOM 340 OE2 GLU A 23 9.476 2.908 -10.312 1.00 43.05 O ATOM 0 H GLU A 23 8.126 -0.014 -6.369 1.00 62.13 H new ATOM 0 HA GLU A 23 9.373 2.316 -7.335 1.00 35.40 H new ATOM 0 HB2 GLU A 23 7.016 0.495 -7.862 1.00 52.15 H new ATOM 0 HB3 GLU A 23 6.902 2.090 -8.579 1.00 52.15 H new ATOM 0 HG2 GLU A 23 9.537 0.705 -8.939 1.00 72.55 H new ATOM 0 HG3 GLU A 23 8.182 -0.019 -9.782 1.00 72.55 H new ATOM 347 N ILE A 24 6.973 2.959 -5.313 1.00 2.31 N ATOM 348 CA ILE A 24 6.375 4.095 -4.640 1.00 23.04 C ATOM 349 C ILE A 24 7.499 4.877 -3.943 1.00 55.53 C ATOM 350 O ILE A 24 7.554 6.106 -4.017 1.00 54.33 O ATOM 351 CB ILE A 24 5.252 3.638 -3.678 1.00 3.42 C ATOM 352 CG1 ILE A 24 4.318 2.647 -4.410 1.00 4.03 C ATOM 353 CG2 ILE A 24 4.466 4.864 -3.207 1.00 71.42 C ATOM 354 CD1 ILE A 24 2.994 2.298 -3.735 1.00 23.22 C ATOM 0 H ILE A 24 6.841 2.065 -4.840 1.00 2.31 H new ATOM 0 HA ILE A 24 5.887 4.760 -5.353 1.00 23.04 H new ATOM 0 HB ILE A 24 5.684 3.137 -2.811 1.00 3.42 H new ATOM 0 HG12 ILE A 24 4.096 3.059 -5.394 1.00 4.03 H new ATOM 0 HG13 ILE A 24 4.869 1.720 -4.569 1.00 4.03 H new ATOM 0 HG21 ILE A 24 3.673 4.549 -2.529 1.00 71.42 H new ATOM 0 HG22 ILE A 24 5.137 5.549 -2.688 1.00 71.42 H new ATOM 0 HG23 ILE A 24 4.028 5.368 -4.068 1.00 71.42 H new ATOM 0 HD11 ILE A 24 2.442 1.595 -4.358 1.00 23.22 H new ATOM 0 HD12 ILE A 24 3.189 1.845 -2.763 1.00 23.22 H new ATOM 0 HD13 ILE A 24 2.404 3.205 -3.601 1.00 23.22 H new ATOM 366 N TYR A 25 8.432 4.169 -3.304 1.00 60.13 N ATOM 367 CA TYR A 25 9.472 4.755 -2.467 1.00 74.32 C ATOM 368 C TYR A 25 10.689 5.224 -3.248 1.00 41.21 C ATOM 369 O TYR A 25 11.525 5.918 -2.673 1.00 34.22 O ATOM 370 CB TYR A 25 9.893 3.747 -1.401 1.00 74.02 C ATOM 371 CG TYR A 25 8.714 3.285 -0.584 1.00 15.21 C ATOM 372 CD1 TYR A 25 8.016 4.210 0.211 1.00 51.13 C ATOM 373 CD2 TYR A 25 8.219 1.984 -0.751 1.00 20.21 C ATOM 374 CE1 TYR A 25 6.845 3.824 0.880 1.00 13.14 C ATOM 375 CE2 TYR A 25 7.014 1.613 -0.143 1.00 35.13 C ATOM 376 CZ TYR A 25 6.343 2.519 0.710 1.00 74.11 C ATOM 377 OH TYR A 25 5.204 2.152 1.350 1.00 44.43 O ATOM 0 H TYR A 25 8.484 3.152 -3.357 1.00 60.13 H new ATOM 0 HA TYR A 25 9.043 5.645 -2.007 1.00 74.32 H new ATOM 0 HB2 TYR A 25 10.366 2.888 -1.877 1.00 74.02 H new ATOM 0 HB3 TYR A 25 10.637 4.198 -0.745 1.00 74.02 H new ATOM 0 HD1 TYR A 25 8.382 5.221 0.307 1.00 51.13 H new ATOM 0 HD2 TYR A 25 8.766 1.269 -1.348 1.00 20.21 H new ATOM 0 HE1 TYR A 25 6.331 4.524 1.522 1.00 13.14 H new ATOM 0 HE2 TYR A 25 6.597 0.634 -0.326 1.00 35.13 H new ATOM 0 HH TYR A 25 4.628 2.936 1.468 1.00 44.43 H new ATOM 387 N VAL A 26 10.805 4.885 -4.532 1.00 2.11 N ATOM 388 CA VAL A 26 11.822 5.438 -5.427 1.00 51.33 C ATOM 389 C VAL A 26 11.331 6.755 -6.056 1.00 71.31 C ATOM 390 O VAL A 26 12.128 7.549 -6.551 1.00 3.43 O ATOM 391 CB VAL A 26 12.170 4.379 -6.495 1.00 23.13 C ATOM 392 CG1 VAL A 26 13.164 4.887 -7.553 1.00 72.34 C ATOM 393 CG2 VAL A 26 12.787 3.127 -5.850 1.00 34.10 C ATOM 0 H VAL A 26 10.188 4.211 -4.985 1.00 2.11 H new ATOM 0 HA VAL A 26 12.726 5.677 -4.867 1.00 51.33 H new ATOM 0 HB VAL A 26 11.223 4.146 -6.983 1.00 23.13 H new ATOM 0 HG11 VAL A 26 13.366 4.094 -8.273 1.00 72.34 H new ATOM 0 HG12 VAL A 26 12.737 5.747 -8.070 1.00 72.34 H new ATOM 0 HG13 VAL A 26 14.094 5.181 -7.067 1.00 72.34 H new ATOM 0 HG21 VAL A 26 13.023 2.397 -6.625 1.00 34.10 H new ATOM 0 HG22 VAL A 26 13.699 3.402 -5.321 1.00 34.10 H new ATOM 0 HG23 VAL A 26 12.077 2.693 -5.146 1.00 34.10 H new ATOM 403 N ALA A 27 10.017 6.995 -6.065 1.00 2.30 N ATOM 404 CA ALA A 27 9.400 8.037 -6.877 1.00 21.02 C ATOM 405 C ALA A 27 9.355 9.403 -6.182 1.00 4.54 C ATOM 406 O ALA A 27 8.671 10.307 -6.655 1.00 54.13 O ATOM 407 CB ALA A 27 7.998 7.550 -7.248 1.00 61.41 C ATOM 0 H ALA A 27 9.350 6.466 -5.503 1.00 2.30 H new ATOM 0 HA ALA A 27 10.006 8.202 -7.768 1.00 21.02 H new ATOM 0 HB1 ALA A 27 7.501 8.304 -7.858 1.00 61.41 H new ATOM 0 HB2 ALA A 27 8.073 6.620 -7.811 1.00 61.41 H new ATOM 0 HB3 ALA A 27 7.420 7.379 -6.340 1.00 61.41 H new ATOM 413 N GLY A 28 9.989 9.550 -5.017 1.00 0.12 N ATOM 414 CA GLY A 28 9.929 10.776 -4.230 1.00 23.34 C ATOM 415 C GLY A 28 8.558 11.046 -3.610 1.00 43.45 C ATOM 416 O GLY A 28 8.363 12.087 -2.982 1.00 54.34 O ATOM 0 H GLY A 28 10.559 8.818 -4.594 1.00 0.12 H new ATOM 0 HA2 GLY A 28 10.673 10.723 -3.435 1.00 23.34 H new ATOM 0 HA3 GLY A 28 10.202 11.618 -4.866 1.00 23.34 H new ATOM 420 N LEU A 29 7.603 10.123 -3.735 1.00 35.21 N ATOM 421 CA LEU A 29 6.224 10.312 -3.295 1.00 35.20 C ATOM 422 C LEU A 29 6.157 10.158 -1.781 1.00 0.14 C ATOM 423 O LEU A 29 5.835 11.112 -1.072 1.00 34.40 O ATOM 424 CB LEU A 29 5.287 9.337 -4.035 1.00 62.21 C ATOM 425 CG LEU A 29 5.360 9.506 -5.568 1.00 35.53 C ATOM 426 CD1 LEU A 29 4.505 8.467 -6.287 1.00 0.10 C ATOM 427 CD2 LEU A 29 4.930 10.892 -6.033 1.00 40.02 C ATOM 0 H LEU A 29 7.771 9.208 -4.153 1.00 35.21 H new ATOM 0 HA LEU A 29 5.883 11.317 -3.542 1.00 35.20 H new ATOM 0 HB2 LEU A 29 5.550 8.313 -3.771 1.00 62.21 H new ATOM 0 HB3 LEU A 29 4.262 9.498 -3.702 1.00 62.21 H new ATOM 0 HG LEU A 29 6.410 9.365 -5.823 1.00 35.53 H new ATOM 0 HD11 LEU A 29 4.580 8.616 -7.364 1.00 0.10 H new ATOM 0 HD12 LEU A 29 4.858 7.467 -6.033 1.00 0.10 H new ATOM 0 HD13 LEU A 29 3.465 8.574 -5.978 1.00 0.10 H new ATOM 0 HD21 LEU A 29 5.003 10.950 -7.119 1.00 40.02 H new ATOM 0 HD22 LEU A 29 3.900 11.075 -5.728 1.00 40.02 H new ATOM 0 HD23 LEU A 29 5.580 11.644 -5.585 1.00 40.02 H new ATOM 439 N VAL A 30 6.520 8.981 -1.273 1.00 3.12 N ATOM 440 CA VAL A 30 6.580 8.700 0.165 1.00 53.51 C ATOM 441 C VAL A 30 7.930 8.062 0.537 1.00 42.35 C ATOM 442 O VAL A 30 8.835 7.999 -0.300 1.00 54.12 O ATOM 443 CB VAL A 30 5.332 7.894 0.596 1.00 43.44 C ATOM 444 CG1 VAL A 30 4.081 8.784 0.607 1.00 63.13 C ATOM 445 CG2 VAL A 30 5.061 6.687 -0.306 1.00 2.54 C ATOM 0 H VAL A 30 6.784 8.185 -1.853 1.00 3.12 H new ATOM 0 HA VAL A 30 6.543 9.626 0.738 1.00 53.51 H new ATOM 0 HB VAL A 30 5.548 7.530 1.600 1.00 43.44 H new ATOM 0 HG11 VAL A 30 3.217 8.194 0.913 1.00 63.13 H new ATOM 0 HG12 VAL A 30 4.226 9.606 1.308 1.00 63.13 H new ATOM 0 HG13 VAL A 30 3.911 9.185 -0.392 1.00 63.13 H new ATOM 0 HG21 VAL A 30 4.174 6.161 0.046 1.00 2.54 H new ATOM 0 HG22 VAL A 30 4.899 7.026 -1.329 1.00 2.54 H new ATOM 0 HG23 VAL A 30 5.917 6.013 -0.278 1.00 2.54 H new ATOM 455 N ALA A 31 8.094 7.639 1.793 1.00 2.51 N ATOM 456 CA ALA A 31 9.253 6.947 2.355 1.00 11.12 C ATOM 457 C ALA A 31 8.757 5.649 2.976 1.00 3.20 C ATOM 458 O ALA A 31 7.610 5.606 3.408 1.00 52.54 O ATOM 459 CB ALA A 31 9.876 7.805 3.460 1.00 73.41 C ATOM 0 H ALA A 31 7.366 7.782 2.493 1.00 2.51 H new ATOM 0 HA ALA A 31 9.995 6.759 1.579 1.00 11.12 H new ATOM 0 HB1 ALA A 31 10.740 7.288 3.878 1.00 73.41 H new ATOM 0 HB2 ALA A 31 10.192 8.761 3.044 1.00 73.41 H new ATOM 0 HB3 ALA A 31 9.140 7.977 4.246 1.00 73.41 H new ATOM 465 N HIS A 32 9.604 4.624 3.100 1.00 13.44 N ATOM 466 CA HIS A 32 9.166 3.311 3.589 1.00 13.53 C ATOM 467 C HIS A 32 8.525 3.354 4.990 1.00 34.31 C ATOM 468 O HIS A 32 7.758 2.458 5.337 1.00 15.41 O ATOM 469 CB HIS A 32 10.331 2.315 3.545 1.00 41.24 C ATOM 470 CG HIS A 32 11.377 2.560 4.604 1.00 12.40 C ATOM 471 ND1 HIS A 32 11.541 1.831 5.760 1.00 63.44 N ATOM 472 CD2 HIS A 32 12.306 3.563 4.609 1.00 44.22 C ATOM 473 CE1 HIS A 32 12.560 2.381 6.446 1.00 0.20 C ATOM 474 NE2 HIS A 32 13.058 3.442 5.781 1.00 72.35 N ATOM 0 H HIS A 32 10.596 4.676 2.869 1.00 13.44 H new ATOM 0 HA HIS A 32 8.377 2.976 2.916 1.00 13.53 H new ATOM 0 HB2 HIS A 32 9.939 1.305 3.661 1.00 41.24 H new ATOM 0 HB3 HIS A 32 10.802 2.363 2.563 1.00 41.24 H new ATOM 0 HD2 HIS A 32 12.436 4.314 3.844 1.00 44.22 H new ATOM 0 HE1 HIS A 32 12.927 2.022 7.396 1.00 0.20 H new ATOM 0 HE2 HIS A 32 13.831 4.039 6.075 1.00 72.35 H new ATOM 482 N SER A 33 8.758 4.400 5.784 1.00 4.51 N ATOM 483 CA SER A 33 8.202 4.564 7.123 1.00 42.51 C ATOM 484 C SER A 33 7.050 5.595 7.146 1.00 40.55 C ATOM 485 O SER A 33 6.671 6.063 8.219 1.00 2.10 O ATOM 486 CB SER A 33 9.372 4.849 8.081 1.00 12.11 C ATOM 487 OG SER A 33 8.966 5.027 9.429 1.00 64.43 O ATOM 0 H SER A 33 9.356 5.177 5.503 1.00 4.51 H new ATOM 0 HA SER A 33 7.714 3.653 7.468 1.00 42.51 H new ATOM 0 HB2 SER A 33 10.083 4.025 8.029 1.00 12.11 H new ATOM 0 HB3 SER A 33 9.896 5.744 7.746 1.00 12.11 H new ATOM 0 HG SER A 33 8.038 5.340 9.452 1.00 64.43 H new ATOM 493 N ASP A 34 6.469 5.986 6.004 1.00 20.32 N ATOM 494 CA ASP A 34 5.360 6.931 5.950 1.00 35.04 C ATOM 495 C ASP A 34 4.054 6.403 6.553 1.00 71.22 C ATOM 496 O ASP A 34 3.170 7.212 6.848 1.00 24.23 O ATOM 497 CB ASP A 34 5.086 7.335 4.499 1.00 61.34 C ATOM 498 CG ASP A 34 4.240 6.326 3.723 1.00 54.51 C ATOM 499 OD1 ASP A 34 4.730 5.196 3.492 1.00 43.52 O ATOM 500 OD2 ASP A 34 3.120 6.689 3.300 1.00 41.22 O ATOM 0 H ASP A 34 6.762 5.649 5.087 1.00 20.32 H new ATOM 0 HA ASP A 34 5.676 7.782 6.554 1.00 35.04 H new ATOM 0 HB2 ASP A 34 4.580 8.301 4.491 1.00 61.34 H new ATOM 0 HB3 ASP A 34 6.037 7.469 3.984 1.00 61.34 H new ATOM 505 N LEU A 35 3.918 5.082 6.712 1.00 75.32 N ATOM 506 CA LEU A 35 2.669 4.438 7.109 1.00 4.53 C ATOM 507 C LEU A 35 2.564 4.304 8.622 1.00 3.22 C ATOM 508 O LEU A 35 3.559 4.438 9.337 1.00 71.23 O ATOM 509 CB LEU A 35 2.522 3.069 6.425 1.00 42.12 C ATOM 510 CG LEU A 35 2.337 3.184 4.902 1.00 4.30 C ATOM 511 CD1 LEU A 35 2.230 1.791 4.288 1.00 42.22 C ATOM 512 CD2 LEU A 35 1.142 4.060 4.505 1.00 1.11 C ATOM 0 H LEU A 35 4.684 4.425 6.566 1.00 75.32 H new ATOM 0 HA LEU A 35 1.849 5.076 6.780 1.00 4.53 H new ATOM 0 HB2 LEU A 35 3.405 2.466 6.635 1.00 42.12 H new ATOM 0 HB3 LEU A 35 1.668 2.544 6.852 1.00 42.12 H new ATOM 0 HG LEU A 35 3.218 3.688 4.505 1.00 4.30 H new ATOM 0 HD11 LEU A 35 2.099 1.878 3.209 1.00 42.22 H new ATOM 0 HD12 LEU A 35 3.140 1.229 4.499 1.00 42.22 H new ATOM 0 HD13 LEU A 35 1.374 1.269 4.716 1.00 42.22 H new ATOM 0 HD21 LEU A 35 1.066 4.101 3.418 1.00 1.11 H new ATOM 0 HD22 LEU A 35 0.227 3.635 4.917 1.00 1.11 H new ATOM 0 HD23 LEU A 35 1.283 5.067 4.897 1.00 1.11 H new ATOM 524 N ASP A 36 1.370 3.965 9.098 1.00 31.42 N ATOM 525 CA ASP A 36 1.119 3.620 10.492 1.00 54.53 C ATOM 526 C ASP A 36 1.025 2.101 10.555 1.00 20.40 C ATOM 527 O ASP A 36 0.659 1.464 9.563 1.00 55.45 O ATOM 528 CB ASP A 36 -0.202 4.224 10.996 1.00 55.15 C ATOM 529 CG ASP A 36 -0.339 5.733 10.806 1.00 2.20 C ATOM 530 OD1 ASP A 36 0.660 6.474 10.878 1.00 13.32 O ATOM 531 OD2 ASP A 36 -1.463 6.191 10.495 1.00 20.40 O ATOM 0 H ASP A 36 0.535 3.922 8.514 1.00 31.42 H new ATOM 0 HA ASP A 36 1.919 4.013 11.119 1.00 54.53 H new ATOM 0 HB2 ASP A 36 -1.028 3.732 10.482 1.00 55.15 H new ATOM 0 HB3 ASP A 36 -0.306 3.996 12.057 1.00 55.15 H new ATOM 536 N GLU A 37 1.267 1.499 11.722 1.00 70.44 N ATOM 537 CA GLU A 37 1.140 0.047 11.884 1.00 30.04 C ATOM 538 C GLU A 37 -0.320 -0.386 11.678 1.00 30.44 C ATOM 539 O GLU A 37 -0.581 -1.452 11.116 1.00 50.45 O ATOM 540 CB GLU A 37 1.737 -0.407 13.227 1.00 52.25 C ATOM 541 CG GLU A 37 1.610 -1.930 13.412 1.00 25.04 C ATOM 542 CD GLU A 37 2.675 -2.522 14.339 1.00 51.23 C ATOM 543 OE1 GLU A 37 3.047 -1.897 15.359 1.00 34.42 O ATOM 544 OE2 GLU A 37 3.150 -3.649 14.063 1.00 52.42 O ATOM 0 H GLU A 37 1.552 1.993 12.568 1.00 70.44 H new ATOM 0 HA GLU A 37 1.722 -0.459 11.114 1.00 30.04 H new ATOM 0 HB2 GLU A 37 2.787 -0.119 13.276 1.00 52.25 H new ATOM 0 HB3 GLU A 37 1.228 0.104 14.044 1.00 52.25 H new ATOM 0 HG2 GLU A 37 0.623 -2.158 13.813 1.00 25.04 H new ATOM 0 HG3 GLU A 37 1.678 -2.414 12.438 1.00 25.04 H new ATOM 551 N ARG A 38 -1.272 0.498 12.006 1.00 42.52 N ATOM 552 CA ARG A 38 -2.694 0.336 11.698 1.00 23.01 C ATOM 553 C ARG A 38 -2.978 0.105 10.206 1.00 54.23 C ATOM 554 O ARG A 38 -4.045 -0.434 9.877 1.00 53.51 O ATOM 555 CB ARG A 38 -3.468 1.563 12.202 1.00 23.24 C ATOM 556 CG ARG A 38 -3.724 1.566 13.720 1.00 62.14 C ATOM 557 CD ARG A 38 -5.058 0.931 14.143 1.00 42.54 C ATOM 558 NE ARG A 38 -4.922 -0.470 14.559 1.00 31.22 N ATOM 559 CZ ARG A 38 -5.880 -1.223 15.107 1.00 33.24 C ATOM 560 NH1 ARG A 38 -7.136 -0.779 15.155 1.00 62.24 N ATOM 561 NH2 ARG A 38 -5.572 -2.409 15.619 1.00 64.25 N ATOM 0 H ARG A 38 -1.067 1.364 12.504 1.00 42.52 H new ATOM 0 HA ARG A 38 -3.029 -0.565 12.211 1.00 23.01 H new ATOM 0 HB2 ARG A 38 -2.913 2.463 11.936 1.00 23.24 H new ATOM 0 HB3 ARG A 38 -4.425 1.614 11.683 1.00 23.24 H new ATOM 0 HG2 ARG A 38 -2.910 1.035 14.214 1.00 62.14 H new ATOM 0 HG3 ARG A 38 -3.696 2.595 14.078 1.00 62.14 H new ATOM 0 HD2 ARG A 38 -5.484 1.508 14.964 1.00 42.54 H new ATOM 0 HD3 ARG A 38 -5.762 0.991 13.313 1.00 42.54 H new ATOM 0 HE ARG A 38 -4.012 -0.909 14.417 1.00 31.22 H new ATOM 0 HH11 ARG A 38 -7.368 0.138 14.773 1.00 62.24 H new ATOM 0 HH12 ARG A 38 -7.865 -1.356 15.574 1.00 62.24 H new ATOM 0 HH21 ARG A 38 -4.608 -2.741 15.593 1.00 64.25 H new ATOM 0 HH22 ARG A 38 -6.300 -2.988 16.039 1.00 64.25 H new ATOM 575 N ALA A 39 -2.067 0.514 9.316 1.00 14.42 N ATOM 576 CA ALA A 39 -2.149 0.300 7.880 1.00 73.35 C ATOM 577 C ALA A 39 -1.419 -0.983 7.476 1.00 21.20 C ATOM 578 O ALA A 39 -1.951 -1.751 6.671 1.00 32.02 O ATOM 579 CB ALA A 39 -1.574 1.513 7.137 1.00 73.02 C ATOM 0 H ALA A 39 -1.226 1.020 9.593 1.00 14.42 H new ATOM 0 HA ALA A 39 -3.197 0.185 7.604 1.00 73.35 H new ATOM 0 HB1 ALA A 39 -1.639 1.345 6.062 1.00 73.02 H new ATOM 0 HB2 ALA A 39 -2.143 2.404 7.400 1.00 73.02 H new ATOM 0 HB3 ALA A 39 -0.531 1.652 7.420 1.00 73.02 H new ATOM 585 N ILE A 40 -0.213 -1.239 7.998 1.00 1.21 N ATOM 586 CA ILE A 40 0.565 -2.434 7.649 1.00 30.33 C ATOM 587 C ILE A 40 -0.270 -3.685 7.936 1.00 24.04 C ATOM 588 O ILE A 40 -0.326 -4.572 7.089 1.00 22.33 O ATOM 589 CB ILE A 40 1.933 -2.476 8.375 1.00 41.32 C ATOM 590 CG1 ILE A 40 2.761 -1.175 8.255 1.00 30.30 C ATOM 591 CG2 ILE A 40 2.778 -3.662 7.864 1.00 13.42 C ATOM 592 CD1 ILE A 40 3.059 -0.704 6.825 1.00 43.11 C ATOM 0 H ILE A 40 0.249 -0.627 8.671 1.00 1.21 H new ATOM 0 HA ILE A 40 0.794 -2.398 6.584 1.00 30.33 H new ATOM 0 HB ILE A 40 1.692 -2.596 9.431 1.00 41.32 H new ATOM 0 HG12 ILE A 40 2.230 -0.379 8.777 1.00 30.30 H new ATOM 0 HG13 ILE A 40 3.708 -1.320 8.775 1.00 30.30 H new ATOM 0 HG21 ILE A 40 3.736 -3.677 8.384 1.00 13.42 H new ATOM 0 HG22 ILE A 40 2.247 -4.595 8.053 1.00 13.42 H new ATOM 0 HG23 ILE A 40 2.948 -3.553 6.793 1.00 13.42 H new ATOM 0 HD11 ILE A 40 3.644 0.215 6.859 1.00 43.11 H new ATOM 0 HD12 ILE A 40 3.623 -1.474 6.298 1.00 43.11 H new ATOM 0 HD13 ILE A 40 2.122 -0.518 6.300 1.00 43.11 H new ATOM 604 N GLU A 41 -0.972 -3.717 9.073 1.00 22.04 N ATOM 605 CA GLU A 41 -1.916 -4.770 9.432 1.00 73.04 C ATOM 606 C GLU A 41 -2.919 -5.019 8.305 1.00 74.22 C ATOM 607 O GLU A 41 -3.194 -6.166 7.952 1.00 50.44 O ATOM 608 CB GLU A 41 -2.683 -4.307 10.677 1.00 52.13 C ATOM 609 CG GLU A 41 -3.811 -5.258 11.124 1.00 53.12 C ATOM 610 CD GLU A 41 -3.354 -6.399 12.023 1.00 52.55 C ATOM 611 OE1 GLU A 41 -2.138 -6.689 12.119 1.00 23.01 O ATOM 612 OE2 GLU A 41 -4.246 -6.969 12.696 1.00 24.01 O ATOM 0 H GLU A 41 -0.895 -2.991 9.785 1.00 22.04 H new ATOM 0 HA GLU A 41 -1.369 -5.695 9.616 1.00 73.04 H new ATOM 0 HB2 GLU A 41 -1.978 -4.189 11.500 1.00 52.13 H new ATOM 0 HB3 GLU A 41 -3.111 -3.324 10.480 1.00 52.13 H new ATOM 0 HG2 GLU A 41 -4.570 -4.679 11.650 1.00 53.12 H new ATOM 0 HG3 GLU A 41 -4.287 -5.678 10.238 1.00 53.12 H new ATOM 619 N ALA A 42 -3.527 -3.949 7.790 1.00 63.02 N ATOM 620 CA ALA A 42 -4.607 -4.044 6.828 1.00 14.24 C ATOM 621 C ALA A 42 -4.102 -4.682 5.532 1.00 50.22 C ATOM 622 O ALA A 42 -4.799 -5.525 4.964 1.00 25.01 O ATOM 623 CB ALA A 42 -5.229 -2.659 6.620 1.00 61.13 C ATOM 0 H ALA A 42 -3.277 -2.991 8.035 1.00 63.02 H new ATOM 0 HA ALA A 42 -5.396 -4.695 7.204 1.00 14.24 H new ATOM 0 HB1 ALA A 42 -6.041 -2.730 5.897 1.00 61.13 H new ATOM 0 HB2 ALA A 42 -5.619 -2.289 7.568 1.00 61.13 H new ATOM 0 HB3 ALA A 42 -4.470 -1.972 6.247 1.00 61.13 H new ATOM 629 N LEU A 43 -2.876 -4.349 5.103 1.00 64.15 N ATOM 630 CA LEU A 43 -2.263 -4.942 3.916 1.00 13.52 C ATOM 631 C LEU A 43 -2.146 -6.463 4.013 1.00 23.40 C ATOM 632 O LEU A 43 -2.289 -7.157 3.001 1.00 44.44 O ATOM 633 CB LEU A 43 -0.875 -4.320 3.668 1.00 73.12 C ATOM 634 CG LEU A 43 -0.864 -3.312 2.514 1.00 42.54 C ATOM 635 CD1 LEU A 43 0.537 -2.708 2.372 1.00 32.42 C ATOM 636 CD2 LEU A 43 -1.225 -3.925 1.153 1.00 14.52 C ATOM 0 H LEU A 43 -2.286 -3.662 5.572 1.00 64.15 H new ATOM 0 HA LEU A 43 -2.920 -4.723 3.074 1.00 13.52 H new ATOM 0 HB2 LEU A 43 -0.538 -3.824 4.578 1.00 73.12 H new ATOM 0 HB3 LEU A 43 -0.160 -5.115 3.455 1.00 73.12 H new ATOM 0 HG LEU A 43 -1.619 -2.568 2.768 1.00 42.54 H new ATOM 0 HD11 LEU A 43 0.543 -1.991 1.551 1.00 32.42 H new ATOM 0 HD12 LEU A 43 0.810 -2.201 3.298 1.00 32.42 H new ATOM 0 HD13 LEU A 43 1.256 -3.501 2.167 1.00 32.42 H new ATOM 0 HD21 LEU A 43 -1.196 -3.151 0.386 1.00 14.52 H new ATOM 0 HD22 LEU A 43 -0.509 -4.708 0.905 1.00 14.52 H new ATOM 0 HD23 LEU A 43 -2.227 -4.352 1.200 1.00 14.52 H new ATOM 648 N LYS A 44 -1.911 -6.996 5.218 1.00 65.41 N ATOM 649 CA LYS A 44 -1.783 -8.436 5.436 1.00 63.42 C ATOM 650 C LYS A 44 -3.066 -9.183 5.039 1.00 1.50 C ATOM 651 O LYS A 44 -2.996 -10.372 4.733 1.00 43.31 O ATOM 652 CB LYS A 44 -1.478 -8.749 6.915 1.00 3.30 C ATOM 653 CG LYS A 44 -0.315 -8.034 7.625 1.00 65.12 C ATOM 654 CD LYS A 44 1.085 -8.506 7.195 1.00 54.11 C ATOM 655 CE LYS A 44 2.001 -8.696 8.415 1.00 71.31 C ATOM 656 NZ LYS A 44 2.563 -7.443 8.962 1.00 11.10 N ATOM 0 H LYS A 44 -1.805 -6.439 6.066 1.00 65.41 H new ATOM 0 HA LYS A 44 -0.958 -8.773 4.808 1.00 63.42 H new ATOM 0 HB2 LYS A 44 -2.384 -8.541 7.485 1.00 3.30 H new ATOM 0 HB3 LYS A 44 -1.294 -9.821 6.989 1.00 3.30 H new ATOM 0 HG2 LYS A 44 -0.396 -6.963 7.439 1.00 65.12 H new ATOM 0 HG3 LYS A 44 -0.419 -8.179 8.700 1.00 65.12 H new ATOM 0 HD2 LYS A 44 1.004 -9.445 6.647 1.00 54.11 H new ATOM 0 HD3 LYS A 44 1.526 -7.777 6.515 1.00 54.11 H new ATOM 0 HE2 LYS A 44 1.438 -9.200 9.201 1.00 71.31 H new ATOM 0 HE3 LYS A 44 2.822 -9.357 8.137 1.00 71.31 H new ATOM 0 HZ1 LYS A 44 2.717 -7.549 9.985 1.00 11.10 H new ATOM 0 HZ2 LYS A 44 3.469 -7.236 8.495 1.00 11.10 H new ATOM 0 HZ3 LYS A 44 1.899 -6.661 8.791 1.00 11.10 H new ATOM 670 N GLU A 45 -4.241 -8.543 5.089 1.00 72.11 N ATOM 671 CA GLU A 45 -5.519 -9.248 4.958 1.00 72.21 C ATOM 672 C GLU A 45 -5.902 -9.574 3.505 1.00 23.10 C ATOM 673 O GLU A 45 -6.747 -10.445 3.286 1.00 34.31 O ATOM 674 CB GLU A 45 -6.642 -8.462 5.663 1.00 13.43 C ATOM 675 CG GLU A 45 -6.608 -8.561 7.205 1.00 11.31 C ATOM 676 CD GLU A 45 -7.976 -8.968 7.770 1.00 63.41 C ATOM 677 OE1 GLU A 45 -8.416 -10.114 7.519 1.00 24.42 O ATOM 678 OE2 GLU A 45 -8.655 -8.134 8.414 1.00 1.33 O ATOM 0 H GLU A 45 -4.331 -7.535 5.220 1.00 72.11 H new ATOM 0 HA GLU A 45 -5.388 -10.212 5.451 1.00 72.21 H new ATOM 0 HB2 GLU A 45 -6.573 -7.413 5.375 1.00 13.43 H new ATOM 0 HB3 GLU A 45 -7.605 -8.827 5.307 1.00 13.43 H new ATOM 0 HG2 GLU A 45 -5.856 -9.290 7.508 1.00 11.31 H new ATOM 0 HG3 GLU A 45 -6.310 -7.601 7.626 1.00 11.31 H new ATOM 685 N PHE A 46 -5.297 -8.908 2.518 1.00 13.02 N ATOM 686 CA PHE A 46 -5.596 -9.060 1.104 1.00 10.32 C ATOM 687 C PHE A 46 -4.771 -10.199 0.516 1.00 71.53 C ATOM 688 O PHE A 46 -3.691 -10.532 1.013 1.00 72.35 O ATOM 689 CB PHE A 46 -5.290 -7.742 0.375 1.00 71.52 C ATOM 690 CG PHE A 46 -6.307 -6.650 0.643 1.00 62.24 C ATOM 691 CD1 PHE A 46 -7.523 -6.640 -0.067 1.00 64.21 C ATOM 692 CD2 PHE A 46 -6.069 -5.667 1.622 1.00 43.11 C ATOM 693 CE1 PHE A 46 -8.507 -5.683 0.228 1.00 71.33 C ATOM 694 CE2 PHE A 46 -7.060 -4.723 1.929 1.00 14.24 C ATOM 695 CZ PHE A 46 -8.280 -4.729 1.233 1.00 30.30 C ATOM 0 H PHE A 46 -4.560 -8.225 2.695 1.00 13.02 H new ATOM 0 HA PHE A 46 -6.652 -9.300 0.978 1.00 10.32 H new ATOM 0 HB2 PHE A 46 -4.303 -7.390 0.677 1.00 71.52 H new ATOM 0 HB3 PHE A 46 -5.247 -7.931 -0.698 1.00 71.52 H new ATOM 0 HD1 PHE A 46 -7.699 -7.372 -0.842 1.00 64.21 H new ATOM 0 HD2 PHE A 46 -5.121 -5.640 2.138 1.00 43.11 H new ATOM 0 HE1 PHE A 46 -9.439 -5.681 -0.318 1.00 71.33 H new ATOM 0 HE2 PHE A 46 -6.885 -3.990 2.702 1.00 14.24 H new ATOM 0 HZ PHE A 46 -9.042 -4.001 1.470 1.00 30.30 H new ATOM 705 N ASN A 47 -5.282 -10.772 -0.570 1.00 3.20 N ATOM 706 CA ASN A 47 -4.570 -11.707 -1.450 1.00 63.34 C ATOM 707 C ASN A 47 -3.653 -10.949 -2.398 1.00 45.42 C ATOM 708 O ASN A 47 -3.566 -9.724 -2.334 1.00 11.03 O ATOM 709 CB ASN A 47 -5.521 -12.580 -2.290 1.00 25.41 C ATOM 710 CG ASN A 47 -6.228 -11.836 -3.412 1.00 33.24 C ATOM 711 OD1 ASN A 47 -6.942 -10.873 -3.153 1.00 74.11 O ATOM 712 ND2 ASN A 47 -6.087 -12.254 -4.658 1.00 64.44 N ATOM 0 H ASN A 47 -6.238 -10.594 -0.877 1.00 3.20 H new ATOM 0 HA ASN A 47 -3.995 -12.361 -0.795 1.00 63.34 H new ATOM 0 HB2 ASN A 47 -4.953 -13.406 -2.719 1.00 25.41 H new ATOM 0 HB3 ASN A 47 -6.271 -13.017 -1.631 1.00 25.41 H new ATOM 0 HD21 ASN A 47 -6.574 -11.775 -5.415 1.00 64.44 H new ATOM 0 HD22 ASN A 47 -5.491 -13.056 -4.863 1.00 64.44 H new ATOM 719 N GLU A 48 -2.983 -11.687 -3.286 1.00 34.24 N ATOM 720 CA GLU A 48 -2.077 -11.188 -4.301 1.00 53.43 C ATOM 721 C GLU A 48 -2.751 -10.090 -5.128 1.00 72.14 C ATOM 722 O GLU A 48 -2.428 -8.913 -4.994 1.00 41.23 O ATOM 723 CB GLU A 48 -1.603 -12.381 -5.153 1.00 72.11 C ATOM 724 CG GLU A 48 -0.209 -12.157 -5.729 1.00 14.00 C ATOM 725 CD GLU A 48 0.043 -12.985 -6.999 1.00 21.24 C ATOM 726 OE1 GLU A 48 -0.500 -14.108 -7.125 1.00 73.54 O ATOM 727 OE2 GLU A 48 0.777 -12.502 -7.891 1.00 42.13 O ATOM 0 H GLU A 48 -3.069 -12.703 -3.310 1.00 34.24 H new ATOM 0 HA GLU A 48 -1.201 -10.724 -3.847 1.00 53.43 H new ATOM 0 HB2 GLU A 48 -1.602 -13.284 -4.542 1.00 72.11 H new ATOM 0 HB3 GLU A 48 -2.309 -12.548 -5.967 1.00 72.11 H new ATOM 0 HG2 GLU A 48 -0.079 -11.099 -5.957 1.00 14.00 H new ATOM 0 HG3 GLU A 48 0.537 -12.415 -4.977 1.00 14.00 H new ATOM 734 N ASP A 49 -3.717 -10.485 -5.955 1.00 63.54 N ATOM 735 CA ASP A 49 -4.399 -9.624 -6.910 1.00 73.42 C ATOM 736 C ASP A 49 -5.111 -8.497 -6.178 1.00 32.41 C ATOM 737 O ASP A 49 -4.962 -7.339 -6.562 1.00 75.45 O ATOM 738 CB ASP A 49 -5.392 -10.486 -7.691 1.00 51.15 C ATOM 739 CG ASP A 49 -6.180 -9.802 -8.809 1.00 50.35 C ATOM 740 OD1 ASP A 49 -6.324 -8.562 -8.857 1.00 42.45 O ATOM 741 OD2 ASP A 49 -6.772 -10.561 -9.605 1.00 1.23 O ATOM 0 H ASP A 49 -4.056 -11.447 -5.977 1.00 63.54 H new ATOM 0 HA ASP A 49 -3.687 -9.169 -7.598 1.00 73.42 H new ATOM 0 HB2 ASP A 49 -4.845 -11.322 -8.126 1.00 51.15 H new ATOM 0 HB3 ASP A 49 -6.106 -10.906 -6.982 1.00 51.15 H new ATOM 746 N GLY A 50 -5.823 -8.827 -5.090 1.00 4.30 N ATOM 747 CA GLY A 50 -6.557 -7.853 -4.306 1.00 52.01 C ATOM 748 C GLY A 50 -5.628 -6.746 -3.842 1.00 33.11 C ATOM 749 O GLY A 50 -5.901 -5.582 -4.118 1.00 31.14 O ATOM 0 H GLY A 50 -5.899 -9.781 -4.738 1.00 4.30 H new ATOM 0 HA2 GLY A 50 -7.367 -7.432 -4.902 1.00 52.01 H new ATOM 0 HA3 GLY A 50 -7.014 -8.339 -3.444 1.00 52.01 H new ATOM 753 N ALA A 51 -4.528 -7.095 -3.165 1.00 34.40 N ATOM 754 CA ALA A 51 -3.562 -6.122 -2.681 1.00 63.44 C ATOM 755 C ALA A 51 -3.009 -5.290 -3.837 1.00 42.22 C ATOM 756 O ALA A 51 -3.013 -4.063 -3.746 1.00 21.21 O ATOM 757 CB ALA A 51 -2.431 -6.816 -1.925 1.00 65.45 C ATOM 0 H ALA A 51 -4.289 -8.061 -2.941 1.00 34.40 H new ATOM 0 HA ALA A 51 -4.071 -5.449 -1.991 1.00 63.44 H new ATOM 0 HB1 ALA A 51 -1.719 -6.071 -1.571 1.00 65.45 H new ATOM 0 HB2 ALA A 51 -2.842 -7.358 -1.073 1.00 65.45 H new ATOM 0 HB3 ALA A 51 -1.924 -7.515 -2.590 1.00 65.45 H new ATOM 763 N LEU A 52 -2.560 -5.939 -4.919 1.00 71.54 N ATOM 764 CA LEU A 52 -2.033 -5.279 -6.115 1.00 61.53 C ATOM 765 C LEU A 52 -3.027 -4.258 -6.652 1.00 4.21 C ATOM 766 O LEU A 52 -2.618 -3.169 -7.062 1.00 22.43 O ATOM 767 CB LEU A 52 -1.707 -6.313 -7.216 1.00 55.12 C ATOM 768 CG LEU A 52 -0.235 -6.724 -7.318 1.00 22.42 C ATOM 769 CD1 LEU A 52 0.674 -5.564 -7.718 1.00 20.51 C ATOM 770 CD2 LEU A 52 0.294 -7.356 -6.033 1.00 75.41 C ATOM 0 H LEU A 52 -2.554 -6.957 -4.986 1.00 71.54 H new ATOM 0 HA LEU A 52 -1.115 -4.764 -5.831 1.00 61.53 H new ATOM 0 HB2 LEU A 52 -2.305 -7.207 -7.039 1.00 55.12 H new ATOM 0 HB3 LEU A 52 -2.020 -5.906 -8.177 1.00 55.12 H new ATOM 0 HG LEU A 52 -0.211 -7.474 -8.108 1.00 22.42 H new ATOM 0 HD11 LEU A 52 1.705 -5.913 -7.775 1.00 20.51 H new ATOM 0 HD12 LEU A 52 0.367 -5.180 -8.691 1.00 20.51 H new ATOM 0 HD13 LEU A 52 0.600 -4.771 -6.974 1.00 20.51 H new ATOM 0 HD21 LEU A 52 1.342 -7.627 -6.165 1.00 75.41 H new ATOM 0 HD22 LEU A 52 0.204 -6.643 -5.213 1.00 75.41 H new ATOM 0 HD23 LEU A 52 -0.285 -8.250 -5.802 1.00 75.41 H new ATOM 782 N ALA A 53 -4.316 -4.592 -6.667 1.00 0.01 N ATOM 783 CA ALA A 53 -5.342 -3.691 -7.156 1.00 44.21 C ATOM 784 C ALA A 53 -5.339 -2.391 -6.354 1.00 2.14 C ATOM 785 O ALA A 53 -5.289 -1.305 -6.931 1.00 41.21 O ATOM 786 CB ALA A 53 -6.704 -4.377 -7.095 1.00 74.13 C ATOM 0 H ALA A 53 -4.671 -5.491 -6.341 1.00 0.01 H new ATOM 0 HA ALA A 53 -5.131 -3.438 -8.195 1.00 44.21 H new ATOM 0 HB1 ALA A 53 -7.471 -3.696 -7.463 1.00 74.13 H new ATOM 0 HB2 ALA A 53 -6.688 -5.274 -7.714 1.00 74.13 H new ATOM 0 HB3 ALA A 53 -6.927 -4.652 -6.064 1.00 74.13 H new ATOM 792 N VAL A 54 -5.335 -2.512 -5.026 1.00 51.25 N ATOM 793 CA VAL A 54 -5.334 -1.391 -4.096 1.00 40.31 C ATOM 794 C VAL A 54 -4.100 -0.500 -4.328 1.00 20.32 C ATOM 795 O VAL A 54 -4.181 0.726 -4.217 1.00 74.54 O ATOM 796 CB VAL A 54 -5.401 -1.937 -2.651 1.00 21.42 C ATOM 797 CG1 VAL A 54 -5.701 -0.851 -1.631 1.00 0.44 C ATOM 798 CG2 VAL A 54 -6.426 -3.065 -2.417 1.00 60.25 C ATOM 0 H VAL A 54 -5.332 -3.419 -4.559 1.00 51.25 H new ATOM 0 HA VAL A 54 -6.209 -0.763 -4.264 1.00 40.31 H new ATOM 0 HB VAL A 54 -4.401 -2.348 -2.515 1.00 21.42 H new ATOM 0 HG11 VAL A 54 -5.737 -1.289 -0.633 1.00 0.44 H new ATOM 0 HG12 VAL A 54 -4.919 -0.092 -1.667 1.00 0.44 H new ATOM 0 HG13 VAL A 54 -6.663 -0.392 -1.861 1.00 0.44 H new ATOM 0 HG21 VAL A 54 -6.393 -3.376 -1.373 1.00 60.25 H new ATOM 0 HG22 VAL A 54 -7.426 -2.703 -2.656 1.00 60.25 H new ATOM 0 HG23 VAL A 54 -6.185 -3.914 -3.056 1.00 60.25 H new ATOM 808 N LEU A 55 -2.958 -1.097 -4.691 1.00 73.32 N ATOM 809 CA LEU A 55 -1.699 -0.383 -4.874 1.00 42.41 C ATOM 810 C LEU A 55 -1.801 0.552 -6.067 1.00 54.44 C ATOM 811 O LEU A 55 -1.339 1.691 -5.979 1.00 42.31 O ATOM 812 CB LEU A 55 -0.507 -1.317 -5.131 1.00 32.21 C ATOM 813 CG LEU A 55 -0.136 -2.355 -4.067 1.00 34.52 C ATOM 814 CD1 LEU A 55 1.258 -2.890 -4.401 1.00 75.21 C ATOM 815 CD2 LEU A 55 -0.180 -1.816 -2.640 1.00 35.33 C ATOM 0 H LEU A 55 -2.887 -2.099 -4.866 1.00 73.32 H new ATOM 0 HA LEU A 55 -1.526 0.159 -3.944 1.00 42.41 H new ATOM 0 HB2 LEU A 55 -0.703 -1.853 -6.060 1.00 32.21 H new ATOM 0 HB3 LEU A 55 0.370 -0.693 -5.302 1.00 32.21 H new ATOM 0 HG LEU A 55 -0.882 -3.149 -4.093 1.00 34.52 H new ATOM 0 HD11 LEU A 55 1.550 -3.633 -3.659 1.00 75.21 H new ATOM 0 HD12 LEU A 55 1.244 -3.350 -5.389 1.00 75.21 H new ATOM 0 HD13 LEU A 55 1.974 -2.069 -4.393 1.00 75.21 H new ATOM 0 HD21 LEU A 55 0.094 -2.608 -1.943 1.00 35.33 H new ATOM 0 HD22 LEU A 55 0.522 -0.988 -2.542 1.00 35.33 H new ATOM 0 HD23 LEU A 55 -1.188 -1.467 -2.414 1.00 35.33 H new ATOM 827 N GLN A 56 -2.395 0.072 -7.170 1.00 52.12 N ATOM 828 CA GLN A 56 -2.511 0.859 -8.390 1.00 51.44 C ATOM 829 C GLN A 56 -3.299 2.125 -8.037 1.00 23.40 C ATOM 830 O GLN A 56 -2.910 3.226 -8.407 1.00 24.32 O ATOM 831 CB GLN A 56 -3.126 0.033 -9.556 1.00 72.23 C ATOM 832 CG GLN A 56 -4.642 0.174 -9.806 1.00 24.53 C ATOM 833 CD GLN A 56 -5.289 -1.031 -10.480 1.00 22.42 C ATOM 834 OE1 GLN A 56 -5.140 -1.301 -11.673 1.00 63.41 O ATOM 835 NE2 GLN A 56 -6.086 -1.760 -9.720 1.00 14.02 N ATOM 0 H GLN A 56 -2.801 -0.861 -7.234 1.00 52.12 H new ATOM 0 HA GLN A 56 -1.530 1.149 -8.766 1.00 51.44 H new ATOM 0 HB2 GLN A 56 -2.607 0.308 -10.474 1.00 72.23 H new ATOM 0 HB3 GLN A 56 -2.912 -1.020 -9.372 1.00 72.23 H new ATOM 0 HG2 GLN A 56 -5.139 0.351 -8.852 1.00 24.53 H new ATOM 0 HG3 GLN A 56 -4.815 1.055 -10.424 1.00 24.53 H new ATOM 0 HE21 GLN A 56 -6.202 -1.528 -8.734 1.00 14.02 H new ATOM 0 HE22 GLN A 56 -6.585 -2.555 -10.119 1.00 14.02 H new ATOM 844 N GLN A 57 -4.382 1.969 -7.268 1.00 62.41 N ATOM 845 CA GLN A 57 -5.351 3.032 -7.064 1.00 51.22 C ATOM 846 C GLN A 57 -4.783 4.059 -6.082 1.00 41.44 C ATOM 847 O GLN A 57 -5.006 5.259 -6.225 1.00 52.45 O ATOM 848 CB GLN A 57 -6.668 2.380 -6.612 1.00 20.14 C ATOM 849 CG GLN A 57 -7.921 3.200 -6.949 1.00 14.11 C ATOM 850 CD GLN A 57 -9.126 2.268 -7.087 1.00 1.43 C ATOM 851 OE1 GLN A 57 -9.365 1.723 -8.163 1.00 44.02 O ATOM 852 NE2 GLN A 57 -9.849 2.026 -6.001 1.00 22.40 N ATOM 0 H GLN A 57 -4.604 1.104 -6.775 1.00 62.41 H new ATOM 0 HA GLN A 57 -5.560 3.589 -7.978 1.00 51.22 H new ATOM 0 HB2 GLN A 57 -6.753 1.398 -7.078 1.00 20.14 H new ATOM 0 HB3 GLN A 57 -6.631 2.220 -5.534 1.00 20.14 H new ATOM 0 HG2 GLN A 57 -8.106 3.936 -6.167 1.00 14.11 H new ATOM 0 HG3 GLN A 57 -7.768 3.752 -7.877 1.00 14.11 H new ATOM 0 HE21 GLN A 57 -9.624 2.495 -5.124 1.00 22.40 H new ATOM 0 HE22 GLN A 57 -10.630 1.371 -6.044 1.00 22.40 H new ATOM 861 N PHE A 58 -3.992 3.590 -5.115 1.00 4.42 N ATOM 862 CA PHE A 58 -3.219 4.421 -4.211 1.00 72.35 C ATOM 863 C PHE A 58 -2.223 5.294 -4.990 1.00 51.45 C ATOM 864 O PHE A 58 -2.326 6.520 -4.919 1.00 1.30 O ATOM 865 CB PHE A 58 -2.554 3.508 -3.174 1.00 33.53 C ATOM 866 CG PHE A 58 -1.643 4.222 -2.203 1.00 15.12 C ATOM 867 CD1 PHE A 58 -2.180 5.114 -1.256 1.00 22.14 C ATOM 868 CD2 PHE A 58 -0.257 3.983 -2.233 1.00 43.12 C ATOM 869 CE1 PHE A 58 -1.328 5.746 -0.335 1.00 71.32 C ATOM 870 CE2 PHE A 58 0.594 4.648 -1.334 1.00 24.31 C ATOM 871 CZ PHE A 58 0.061 5.539 -0.390 1.00 2.13 C ATOM 0 H PHE A 58 -3.873 2.592 -4.940 1.00 4.42 H new ATOM 0 HA PHE A 58 -3.862 5.123 -3.680 1.00 72.35 H new ATOM 0 HB2 PHE A 58 -3.332 2.992 -2.611 1.00 33.53 H new ATOM 0 HB3 PHE A 58 -1.979 2.744 -3.697 1.00 33.53 H new ATOM 0 HD1 PHE A 58 -3.242 5.312 -1.237 1.00 22.14 H new ATOM 0 HD2 PHE A 58 0.154 3.287 -2.949 1.00 43.12 H new ATOM 0 HE1 PHE A 58 -1.744 6.396 0.421 1.00 71.32 H new ATOM 0 HE2 PHE A 58 1.659 4.473 -1.370 1.00 24.31 H new ATOM 0 HZ PHE A 58 0.715 6.063 0.291 1.00 2.13 H new ATOM 881 N LYS A 59 -1.259 4.696 -5.704 1.00 24.12 N ATOM 882 CA LYS A 59 -0.237 5.373 -6.507 1.00 3.31 C ATOM 883 C LYS A 59 -0.852 6.382 -7.466 1.00 55.33 C ATOM 884 O LYS A 59 -0.344 7.495 -7.578 1.00 60.31 O ATOM 885 CB LYS A 59 0.605 4.348 -7.297 1.00 60.53 C ATOM 886 CG LYS A 59 1.977 4.015 -6.690 1.00 11.30 C ATOM 887 CD LYS A 59 3.161 4.115 -7.679 1.00 55.32 C ATOM 888 CE LYS A 59 3.930 5.435 -7.514 1.00 60.31 C ATOM 889 NZ LYS A 59 5.214 5.419 -8.257 1.00 74.43 N ATOM 0 H LYS A 59 -1.168 3.681 -5.737 1.00 24.12 H new ATOM 0 HA LYS A 59 0.411 5.912 -5.815 1.00 3.31 H new ATOM 0 HB2 LYS A 59 0.032 3.425 -7.387 1.00 60.53 H new ATOM 0 HB3 LYS A 59 0.756 4.729 -8.307 1.00 60.53 H new ATOM 0 HG2 LYS A 59 2.162 4.688 -5.853 1.00 11.30 H new ATOM 0 HG3 LYS A 59 1.944 3.004 -6.284 1.00 11.30 H new ATOM 0 HD2 LYS A 59 3.839 3.277 -7.520 1.00 55.32 H new ATOM 0 HD3 LYS A 59 2.789 4.036 -8.701 1.00 55.32 H new ATOM 0 HE2 LYS A 59 3.314 6.262 -7.869 1.00 60.31 H new ATOM 0 HE3 LYS A 59 4.124 5.613 -6.456 1.00 60.31 H new ATOM 0 HZ1 LYS A 59 5.513 6.395 -8.455 1.00 74.43 H new ATOM 0 HZ2 LYS A 59 5.941 4.944 -7.684 1.00 74.43 H new ATOM 0 HZ3 LYS A 59 5.090 4.906 -9.153 1.00 74.43 H new ATOM 903 N ASP A 60 -1.931 6.004 -8.146 1.00 53.14 N ATOM 904 CA ASP A 60 -2.564 6.783 -9.209 1.00 71.31 C ATOM 905 C ASP A 60 -3.379 7.981 -8.689 1.00 61.15 C ATOM 906 O ASP A 60 -4.198 8.538 -9.421 1.00 43.14 O ATOM 907 CB ASP A 60 -3.413 5.825 -10.055 1.00 74.21 C ATOM 908 CG ASP A 60 -3.736 6.386 -11.435 1.00 32.31 C ATOM 909 OD1 ASP A 60 -2.824 6.388 -12.296 1.00 14.42 O ATOM 910 OD2 ASP A 60 -4.906 6.746 -11.693 1.00 20.11 O ATOM 0 H ASP A 60 -2.405 5.119 -7.967 1.00 53.14 H new ATOM 0 HA ASP A 60 -1.786 7.237 -9.824 1.00 71.31 H new ATOM 0 HB2 ASP A 60 -2.883 4.879 -10.167 1.00 74.21 H new ATOM 0 HB3 ASP A 60 -4.343 5.609 -9.529 1.00 74.21 H new ATOM 915 N SER A 61 -3.201 8.385 -7.429 1.00 44.05 N ATOM 916 CA SER A 61 -3.908 9.488 -6.785 1.00 31.51 C ATOM 917 C SER A 61 -2.959 10.658 -6.476 1.00 24.21 C ATOM 918 O SER A 61 -1.742 10.553 -6.654 1.00 14.11 O ATOM 919 CB SER A 61 -4.591 8.952 -5.529 1.00 32.11 C ATOM 920 OG SER A 61 -5.517 7.915 -5.816 1.00 52.03 O ATOM 0 H SER A 61 -2.532 7.932 -6.806 1.00 44.05 H new ATOM 0 HA SER A 61 -4.665 9.888 -7.459 1.00 31.51 H new ATOM 0 HB2 SER A 61 -3.834 8.579 -4.839 1.00 32.11 H new ATOM 0 HB3 SER A 61 -5.108 9.768 -5.024 1.00 32.11 H new ATOM 0 HG SER A 61 -5.038 7.066 -5.913 1.00 52.03 H new ATOM 926 N ASP A 62 -3.505 11.782 -6.004 1.00 0.01 N ATOM 927 CA ASP A 62 -2.798 13.018 -5.736 1.00 33.12 C ATOM 928 C ASP A 62 -2.622 13.096 -4.232 1.00 52.22 C ATOM 929 O ASP A 62 -3.577 12.998 -3.464 1.00 11.42 O ATOM 930 CB ASP A 62 -3.574 14.238 -6.239 1.00 32.31 C ATOM 931 CG ASP A 62 -2.822 15.512 -5.861 1.00 62.55 C ATOM 932 OD1 ASP A 62 -1.838 15.846 -6.563 1.00 53.34 O ATOM 933 OD2 ASP A 62 -3.142 16.125 -4.817 1.00 63.51 O ATOM 0 H ASP A 62 -4.500 11.848 -5.791 1.00 0.01 H new ATOM 0 HA ASP A 62 -1.841 13.023 -6.257 1.00 33.12 H new ATOM 0 HB2 ASP A 62 -3.697 14.183 -7.321 1.00 32.31 H new ATOM 0 HB3 ASP A 62 -4.574 14.251 -5.805 1.00 32.31 H new ATOM 938 N LEU A 63 -1.377 13.230 -3.818 1.00 4.13 N ATOM 939 CA LEU A 63 -0.939 13.160 -2.426 1.00 74.21 C ATOM 940 C LEU A 63 -0.590 14.541 -1.857 1.00 55.43 C ATOM 941 O LEU A 63 -0.442 14.667 -0.639 1.00 2.02 O ATOM 942 CB LEU A 63 0.224 12.153 -2.308 1.00 40.25 C ATOM 943 CG LEU A 63 -0.164 10.735 -2.796 1.00 0.20 C ATOM 944 CD1 LEU A 63 1.034 9.785 -2.812 1.00 72.44 C ATOM 945 CD2 LEU A 63 -1.292 10.124 -1.951 1.00 20.14 C ATOM 0 H LEU A 63 -0.606 13.398 -4.465 1.00 4.13 H new ATOM 0 HA LEU A 63 -1.766 12.801 -1.813 1.00 74.21 H new ATOM 0 HB2 LEU A 63 1.072 12.514 -2.889 1.00 40.25 H new ATOM 0 HB3 LEU A 63 0.549 12.099 -1.269 1.00 40.25 H new ATOM 0 HG LEU A 63 -0.522 10.859 -3.818 1.00 0.20 H new ATOM 0 HD11 LEU A 63 0.715 8.803 -3.161 1.00 72.44 H new ATOM 0 HD12 LEU A 63 1.800 10.177 -3.481 1.00 72.44 H new ATOM 0 HD13 LEU A 63 1.442 9.697 -1.805 1.00 72.44 H new ATOM 0 HD21 LEU A 63 -1.532 9.130 -2.328 1.00 20.14 H new ATOM 0 HD22 LEU A 63 -0.969 10.050 -0.913 1.00 20.14 H new ATOM 0 HD23 LEU A 63 -2.176 10.758 -2.012 1.00 20.14 H new ATOM 957 N SER A 64 -0.529 15.577 -2.700 1.00 64.15 N ATOM 958 CA SER A 64 -0.175 16.957 -2.366 1.00 35.30 C ATOM 959 C SER A 64 -1.048 17.596 -1.276 1.00 2.32 C ATOM 960 O SER A 64 -0.576 18.489 -0.564 1.00 52.15 O ATOM 961 CB SER A 64 -0.272 17.791 -3.648 1.00 3.01 C ATOM 962 OG SER A 64 0.845 17.541 -4.483 1.00 75.32 O ATOM 0 H SER A 64 -0.738 15.466 -3.692 1.00 64.15 H new ATOM 0 HA SER A 64 0.835 16.937 -1.956 1.00 35.30 H new ATOM 0 HB2 SER A 64 -1.193 17.549 -4.179 1.00 3.01 H new ATOM 0 HB3 SER A 64 -0.318 18.851 -3.398 1.00 3.01 H new ATOM 0 HG SER A 64 0.770 18.078 -5.299 1.00 75.32 H new ATOM 968 N HIS A 65 -2.295 17.155 -1.112 1.00 15.32 N ATOM 969 CA HIS A 65 -3.224 17.652 -0.099 1.00 43.22 C ATOM 970 C HIS A 65 -3.720 16.509 0.798 1.00 60.52 C ATOM 971 O HIS A 65 -4.688 16.680 1.542 1.00 72.42 O ATOM 972 CB HIS A 65 -4.372 18.423 -0.777 1.00 71.51 C ATOM 973 CG HIS A 65 -3.936 19.692 -1.472 1.00 63.35 C ATOM 974 ND1 HIS A 65 -3.832 19.902 -2.834 1.00 54.41 N ATOM 975 CD2 HIS A 65 -3.619 20.870 -0.849 1.00 22.51 C ATOM 976 CE1 HIS A 65 -3.467 21.182 -3.021 1.00 21.34 C ATOM 977 NE2 HIS A 65 -3.319 21.810 -1.841 1.00 1.00 N ATOM 0 H HIS A 65 -2.697 16.422 -1.696 1.00 15.32 H new ATOM 0 HA HIS A 65 -2.706 18.351 0.558 1.00 43.22 H new ATOM 0 HB2 HIS A 65 -4.854 17.770 -1.505 1.00 71.51 H new ATOM 0 HB3 HIS A 65 -5.122 18.672 -0.026 1.00 71.51 H new ATOM 0 HD2 HIS A 65 -3.603 21.042 0.217 1.00 22.51 H new ATOM 0 HE1 HIS A 65 -3.314 21.643 -3.986 1.00 21.34 H new ATOM 0 HE2 HIS A 65 -3.042 22.781 -1.697 1.00 1.00 H new ATOM 985 N VAL A 66 -3.110 15.321 0.727 1.00 13.34 N ATOM 986 CA VAL A 66 -3.398 14.237 1.656 1.00 24.23 C ATOM 987 C VAL A 66 -2.812 14.608 3.020 1.00 2.23 C ATOM 988 O VAL A 66 -1.629 14.941 3.109 1.00 75.33 O ATOM 989 CB VAL A 66 -2.882 12.898 1.096 1.00 63.13 C ATOM 990 CG1 VAL A 66 -2.814 11.799 2.157 1.00 3.22 C ATOM 991 CG2 VAL A 66 -3.818 12.426 -0.027 1.00 11.00 C ATOM 0 H VAL A 66 -2.407 15.090 0.025 1.00 13.34 H new ATOM 0 HA VAL A 66 -4.472 14.099 1.785 1.00 24.23 H new ATOM 0 HB VAL A 66 -1.871 13.074 0.729 1.00 63.13 H new ATOM 0 HG11 VAL A 66 -2.444 10.879 1.705 1.00 3.22 H new ATOM 0 HG12 VAL A 66 -2.141 12.107 2.957 1.00 3.22 H new ATOM 0 HG13 VAL A 66 -3.809 11.627 2.567 1.00 3.22 H new ATOM 0 HG21 VAL A 66 -3.457 11.478 -0.427 1.00 11.00 H new ATOM 0 HG22 VAL A 66 -4.824 12.293 0.370 1.00 11.00 H new ATOM 0 HG23 VAL A 66 -3.837 13.172 -0.822 1.00 11.00 H new ATOM 1001 N GLN A 67 -3.649 14.535 4.060 1.00 52.43 N ATOM 1002 CA GLN A 67 -3.348 14.918 5.435 1.00 44.14 C ATOM 1003 C GLN A 67 -2.255 14.020 6.010 1.00 2.42 C ATOM 1004 O GLN A 67 -1.233 14.508 6.491 1.00 3.22 O ATOM 1005 CB GLN A 67 -4.605 14.759 6.310 1.00 2.30 C ATOM 1006 CG GLN A 67 -5.810 15.613 5.899 1.00 3.51 C ATOM 1007 CD GLN A 67 -7.096 14.981 6.423 1.00 22.32 C ATOM 1008 OE1 GLN A 67 -7.746 15.504 7.328 1.00 11.52 O ATOM 1009 NE2 GLN A 67 -7.505 13.866 5.845 1.00 1.10 N ATOM 0 H GLN A 67 -4.603 14.189 3.955 1.00 52.43 H new ATOM 0 HA GLN A 67 -3.014 15.956 5.433 1.00 44.14 H new ATOM 0 HB2 GLN A 67 -4.904 13.711 6.298 1.00 2.30 H new ATOM 0 HB3 GLN A 67 -4.343 15.004 7.339 1.00 2.30 H new ATOM 0 HG2 GLN A 67 -5.703 16.623 6.295 1.00 3.51 H new ATOM 0 HG3 GLN A 67 -5.853 15.699 4.813 1.00 3.51 H new ATOM 0 HE21 GLN A 67 -6.953 13.447 5.097 1.00 1.10 H new ATOM 0 HE22 GLN A 67 -8.373 13.424 6.147 1.00 1.10 H new ATOM 1018 N ASN A 68 -2.500 12.708 5.994 1.00 55.12 N ATOM 1019 CA ASN A 68 -1.600 11.671 6.465 1.00 74.01 C ATOM 1020 C ASN A 68 -1.509 10.685 5.339 1.00 62.25 C ATOM 1021 O ASN A 68 -2.533 10.168 4.880 1.00 31.13 O ATOM 1022 CB ASN A 68 -2.135 10.891 7.665 1.00 22.20 C ATOM 1023 CG ASN A 68 -2.152 11.690 8.935 1.00 44.14 C ATOM 1024 OD1 ASN A 68 -1.131 11.874 9.592 1.00 75.33 O ATOM 1025 ND2 ASN A 68 -3.316 12.144 9.335 1.00 42.15 N ATOM 0 H ASN A 68 -3.376 12.329 5.633 1.00 55.12 H new ATOM 0 HA ASN A 68 -0.662 12.139 6.764 1.00 74.01 H new ATOM 0 HB2 ASN A 68 -3.147 10.550 7.445 1.00 22.20 H new ATOM 0 HB3 ASN A 68 -1.523 10.001 7.812 1.00 22.20 H new ATOM 0 HD21 ASN A 68 -3.388 12.663 10.210 1.00 42.15 H new ATOM 0 HD22 ASN A 68 -4.149 11.978 8.771 1.00 42.15 H new ATOM 1032 N LYS A 69 -0.289 10.393 4.916 1.00 71.33 N ATOM 1033 CA LYS A 69 -0.078 9.437 3.844 1.00 34.00 C ATOM 1034 C LYS A 69 -0.610 8.048 4.213 1.00 44.31 C ATOM 1035 O LYS A 69 -1.062 7.308 3.339 1.00 73.43 O ATOM 1036 CB LYS A 69 1.412 9.419 3.477 1.00 51.43 C ATOM 1037 CG LYS A 69 1.981 10.816 3.144 1.00 11.54 C ATOM 1038 CD LYS A 69 1.102 11.635 2.179 1.00 62.03 C ATOM 1039 CE LYS A 69 1.842 12.867 1.638 1.00 40.45 C ATOM 1040 NZ LYS A 69 1.041 14.111 1.710 1.00 53.23 N ATOM 0 H LYS A 69 0.564 10.802 5.297 1.00 71.33 H new ATOM 0 HA LYS A 69 -0.646 9.745 2.966 1.00 34.00 H new ATOM 0 HB2 LYS A 69 1.977 8.993 4.306 1.00 51.43 H new ATOM 0 HB3 LYS A 69 1.559 8.762 2.620 1.00 51.43 H new ATOM 0 HG2 LYS A 69 2.106 11.377 4.070 1.00 11.54 H new ATOM 0 HG3 LYS A 69 2.972 10.699 2.706 1.00 11.54 H new ATOM 0 HD2 LYS A 69 0.791 11.004 1.347 1.00 62.03 H new ATOM 0 HD3 LYS A 69 0.196 11.953 2.694 1.00 62.03 H new ATOM 0 HE2 LYS A 69 2.765 13.004 2.202 1.00 40.45 H new ATOM 0 HE3 LYS A 69 2.126 12.685 0.601 1.00 40.45 H new ATOM 0 HZ1 LYS A 69 1.673 14.922 1.865 1.00 53.23 H new ATOM 0 HZ2 LYS A 69 0.522 14.242 0.818 1.00 53.23 H new ATOM 0 HZ3 LYS A 69 0.365 14.044 2.497 1.00 53.23 H new ATOM 1054 N SER A 70 -0.632 7.745 5.505 1.00 44.42 N ATOM 1055 CA SER A 70 -1.125 6.530 6.106 1.00 73.43 C ATOM 1056 C SER A 70 -2.648 6.493 6.081 1.00 42.15 C ATOM 1057 O SER A 70 -3.213 5.536 5.550 1.00 64.04 O ATOM 1058 CB SER A 70 -0.587 6.461 7.534 1.00 62.44 C ATOM 1059 OG SER A 70 -0.764 7.681 8.229 1.00 14.42 O ATOM 0 H SER A 70 -0.277 8.397 6.205 1.00 44.42 H new ATOM 0 HA SER A 70 -0.782 5.662 5.543 1.00 73.43 H new ATOM 0 HB2 SER A 70 -1.093 5.660 8.073 1.00 62.44 H new ATOM 0 HB3 SER A 70 0.473 6.209 7.510 1.00 62.44 H new ATOM 0 HG SER A 70 -1.071 7.496 9.141 1.00 14.42 H new ATOM 1065 N ALA A 71 -3.321 7.530 6.611 1.00 63.14 N ATOM 1066 CA ALA A 71 -4.784 7.543 6.666 1.00 71.32 C ATOM 1067 C ALA A 71 -5.412 7.365 5.279 1.00 4.40 C ATOM 1068 O ALA A 71 -6.474 6.746 5.168 1.00 40.25 O ATOM 1069 CB ALA A 71 -5.297 8.827 7.317 1.00 54.53 C ATOM 0 H ALA A 71 -2.876 8.360 7.002 1.00 63.14 H new ATOM 0 HA ALA A 71 -5.086 6.694 7.279 1.00 71.32 H new ATOM 0 HB1 ALA A 71 -6.387 8.811 7.345 1.00 54.53 H new ATOM 0 HB2 ALA A 71 -4.909 8.900 8.333 1.00 54.53 H new ATOM 0 HB3 ALA A 71 -4.962 9.688 6.738 1.00 54.53 H new ATOM 1075 N PHE A 72 -4.746 7.860 4.227 1.00 43.11 N ATOM 1076 CA PHE A 72 -5.227 7.702 2.861 1.00 44.03 C ATOM 1077 C PHE A 72 -5.172 6.235 2.440 1.00 53.03 C ATOM 1078 O PHE A 72 -6.149 5.695 1.919 1.00 22.30 O ATOM 1079 CB PHE A 72 -4.385 8.582 1.935 1.00 35.21 C ATOM 1080 CG PHE A 72 -4.853 8.650 0.495 1.00 51.25 C ATOM 1081 CD1 PHE A 72 -6.158 9.086 0.200 1.00 20.24 C ATOM 1082 CD2 PHE A 72 -3.967 8.363 -0.560 1.00 60.52 C ATOM 1083 CE1 PHE A 72 -6.566 9.263 -1.130 1.00 61.22 C ATOM 1084 CE2 PHE A 72 -4.380 8.517 -1.893 1.00 4.14 C ATOM 1085 CZ PHE A 72 -5.671 8.989 -2.176 1.00 12.44 C ATOM 0 H PHE A 72 -3.869 8.375 4.304 1.00 43.11 H new ATOM 0 HA PHE A 72 -6.269 8.017 2.796 1.00 44.03 H new ATOM 0 HB2 PHE A 72 -4.367 9.593 2.341 1.00 35.21 H new ATOM 0 HB3 PHE A 72 -3.359 8.215 1.948 1.00 35.21 H new ATOM 0 HD1 PHE A 72 -6.851 9.286 1.004 1.00 20.24 H new ATOM 0 HD2 PHE A 72 -2.965 8.023 -0.343 1.00 60.52 H new ATOM 0 HE1 PHE A 72 -7.565 9.609 -1.349 1.00 61.22 H new ATOM 0 HE2 PHE A 72 -3.705 8.272 -2.700 1.00 4.14 H new ATOM 0 HZ PHE A 72 -5.976 9.142 -3.201 1.00 12.44 H new ATOM 1095 N LEU A 73 -4.049 5.561 2.710 1.00 52.15 N ATOM 1096 CA LEU A 73 -3.876 4.150 2.383 1.00 71.21 C ATOM 1097 C LEU A 73 -4.892 3.302 3.151 1.00 60.01 C ATOM 1098 O LEU A 73 -5.513 2.396 2.593 1.00 73.35 O ATOM 1099 CB LEU A 73 -2.444 3.708 2.720 1.00 4.33 C ATOM 1100 CG LEU A 73 -2.106 2.335 2.108 1.00 14.53 C ATOM 1101 CD1 LEU A 73 -1.891 2.374 0.593 1.00 20.32 C ATOM 1102 CD2 LEU A 73 -0.834 1.763 2.715 1.00 51.35 C ATOM 0 H LEU A 73 -3.237 5.982 3.161 1.00 52.15 H new ATOM 0 HA LEU A 73 -4.045 4.008 1.316 1.00 71.21 H new ATOM 0 HB2 LEU A 73 -1.738 4.453 2.352 1.00 4.33 H new ATOM 0 HB3 LEU A 73 -2.324 3.662 3.802 1.00 4.33 H new ATOM 0 HG LEU A 73 -2.975 1.715 2.330 1.00 14.53 H new ATOM 0 HD11 LEU A 73 -1.657 1.372 0.233 1.00 20.32 H new ATOM 0 HD12 LEU A 73 -2.798 2.732 0.106 1.00 20.32 H new ATOM 0 HD13 LEU A 73 -1.065 3.046 0.360 1.00 20.32 H new ATOM 0 HD21 LEU A 73 -0.620 0.794 2.265 1.00 51.35 H new ATOM 0 HD22 LEU A 73 -0.003 2.443 2.526 1.00 51.35 H new ATOM 0 HD23 LEU A 73 -0.966 1.642 3.790 1.00 51.35 H new ATOM 1114 N CYS A 74 -5.087 3.613 4.430 1.00 55.33 N ATOM 1115 CA CYS A 74 -6.119 3.000 5.251 1.00 11.41 C ATOM 1116 C CYS A 74 -7.524 3.188 4.667 1.00 40.03 C ATOM 1117 O CYS A 74 -8.372 2.327 4.905 1.00 72.52 O ATOM 1118 CB CYS A 74 -6.042 3.558 6.681 1.00 15.30 C ATOM 1119 SG CYS A 74 -5.055 2.456 7.729 1.00 22.34 S ATOM 0 H CYS A 74 -4.526 4.305 4.927 1.00 55.33 H new ATOM 0 HA CYS A 74 -5.934 1.926 5.269 1.00 11.41 H new ATOM 0 HB2 CYS A 74 -5.598 4.553 6.668 1.00 15.30 H new ATOM 0 HB3 CYS A 74 -7.046 3.662 7.093 1.00 15.30 H new ATOM 0 HG CYS A 74 -4.996 2.941 8.934 1.00 22.34 H new ATOM 1125 N GLY A 75 -7.779 4.262 3.913 1.00 21.52 N ATOM 1126 CA GLY A 75 -9.051 4.518 3.250 1.00 2.22 C ATOM 1127 C GLY A 75 -9.267 3.592 2.054 1.00 15.03 C ATOM 1128 O GLY A 75 -10.269 2.872 2.008 1.00 1.33 O ATOM 0 H GLY A 75 -7.086 4.992 3.746 1.00 21.52 H new ATOM 0 HA2 GLY A 75 -9.865 4.386 3.963 1.00 2.22 H new ATOM 0 HA3 GLY A 75 -9.084 5.555 2.917 1.00 2.22 H new ATOM 1132 N VAL A 76 -8.336 3.578 1.094 1.00 64.45 N ATOM 1133 CA VAL A 76 -8.511 2.828 -0.159 1.00 33.52 C ATOM 1134 C VAL A 76 -8.643 1.321 0.146 1.00 40.15 C ATOM 1135 O VAL A 76 -9.527 0.652 -0.395 1.00 21.50 O ATOM 1136 CB VAL A 76 -7.403 3.171 -1.187 1.00 64.11 C ATOM 1137 CG1 VAL A 76 -7.650 2.550 -2.567 1.00 71.53 C ATOM 1138 CG2 VAL A 76 -7.243 4.689 -1.392 1.00 12.10 C ATOM 0 H VAL A 76 -7.450 4.079 1.159 1.00 64.45 H new ATOM 0 HA VAL A 76 -9.441 3.133 -0.639 1.00 33.52 H new ATOM 0 HB VAL A 76 -6.497 2.749 -0.753 1.00 64.11 H new ATOM 0 HG11 VAL A 76 -6.840 2.827 -3.241 1.00 71.53 H new ATOM 0 HG12 VAL A 76 -7.691 1.465 -2.476 1.00 71.53 H new ATOM 0 HG13 VAL A 76 -8.596 2.916 -2.967 1.00 71.53 H new ATOM 0 HG21 VAL A 76 -6.455 4.877 -2.121 1.00 12.10 H new ATOM 0 HG22 VAL A 76 -8.181 5.108 -1.756 1.00 12.10 H new ATOM 0 HG23 VAL A 76 -6.980 5.158 -0.444 1.00 12.10 H new ATOM 1148 N MET A 77 -7.865 0.780 1.095 1.00 34.50 N ATOM 1149 CA MET A 77 -8.051 -0.605 1.545 1.00 42.01 C ATOM 1150 C MET A 77 -9.470 -0.840 2.062 1.00 3.14 C ATOM 1151 O MET A 77 -10.076 -1.872 1.776 1.00 60.32 O ATOM 1152 CB MET A 77 -7.058 -0.977 2.655 1.00 13.11 C ATOM 1153 CG MET A 77 -5.727 -1.453 2.082 1.00 20.41 C ATOM 1154 SD MET A 77 -4.607 -2.145 3.312 1.00 61.34 S ATOM 1155 CE MET A 77 -3.610 -0.696 3.717 1.00 35.32 C ATOM 0 H MET A 77 -7.107 1.277 1.562 1.00 34.50 H new ATOM 0 HA MET A 77 -7.872 -1.236 0.674 1.00 42.01 H new ATOM 0 HB2 MET A 77 -6.890 -0.113 3.298 1.00 13.11 H new ATOM 0 HB3 MET A 77 -7.487 -1.761 3.280 1.00 13.11 H new ATOM 0 HG2 MET A 77 -5.920 -2.205 1.317 1.00 20.41 H new ATOM 0 HG3 MET A 77 -5.235 -0.615 1.588 1.00 20.41 H new ATOM 0 HE1 MET A 77 -3.170 -0.822 4.706 1.00 35.32 H new ATOM 0 HE2 MET A 77 -2.816 -0.582 2.978 1.00 35.32 H new ATOM 0 HE3 MET A 77 -4.241 0.193 3.711 1.00 35.32 H new ATOM 1165 N LYS A 78 -10.015 0.105 2.828 1.00 35.23 N ATOM 1166 CA LYS A 78 -11.336 -0.040 3.426 1.00 53.42 C ATOM 1167 C LYS A 78 -12.402 -0.177 2.347 1.00 12.33 C ATOM 1168 O LYS A 78 -13.336 -0.959 2.508 1.00 74.12 O ATOM 1169 CB LYS A 78 -11.626 1.156 4.352 1.00 34.51 C ATOM 1170 CG LYS A 78 -11.962 0.687 5.767 1.00 61.54 C ATOM 1171 CD LYS A 78 -13.365 0.090 5.851 1.00 22.10 C ATOM 1172 CE LYS A 78 -13.606 -0.390 7.277 1.00 72.24 C ATOM 1173 NZ LYS A 78 -14.991 -0.862 7.448 1.00 23.14 N ATOM 0 H LYS A 78 -9.553 0.987 3.049 1.00 35.23 H new ATOM 0 HA LYS A 78 -11.357 -0.950 4.025 1.00 53.42 H new ATOM 0 HB2 LYS A 78 -10.759 1.816 4.381 1.00 34.51 H new ATOM 0 HB3 LYS A 78 -12.456 1.737 3.951 1.00 34.51 H new ATOM 0 HG2 LYS A 78 -11.231 -0.056 6.086 1.00 61.54 H new ATOM 0 HG3 LYS A 78 -11.883 1.528 6.456 1.00 61.54 H new ATOM 0 HD2 LYS A 78 -14.110 0.835 5.572 1.00 22.10 H new ATOM 0 HD3 LYS A 78 -13.466 -0.739 5.151 1.00 22.10 H new ATOM 0 HE2 LYS A 78 -12.911 -1.195 7.516 1.00 72.24 H new ATOM 0 HE3 LYS A 78 -13.406 0.422 7.977 1.00 72.24 H new ATOM 0 HZ1 LYS A 78 -15.130 -1.183 8.427 1.00 23.14 H new ATOM 0 HZ2 LYS A 78 -15.651 -0.085 7.242 1.00 23.14 H new ATOM 0 HZ3 LYS A 78 -15.172 -1.651 6.796 1.00 23.14 H new ATOM 1187 N THR A 79 -12.274 0.568 1.251 1.00 34.34 N ATOM 1188 CA THR A 79 -13.200 0.443 0.141 1.00 51.42 C ATOM 1189 C THR A 79 -13.057 -0.922 -0.523 1.00 72.24 C ATOM 1190 O THR A 79 -14.061 -1.617 -0.650 1.00 22.33 O ATOM 1191 CB THR A 79 -13.030 1.592 -0.863 1.00 33.52 C ATOM 1192 OG1 THR A 79 -11.899 2.418 -0.624 1.00 61.34 O ATOM 1193 CG2 THR A 79 -14.262 2.477 -0.813 1.00 21.10 C ATOM 0 H THR A 79 -11.538 1.261 1.113 1.00 34.34 H new ATOM 0 HA THR A 79 -14.215 0.516 0.532 1.00 51.42 H new ATOM 0 HB THR A 79 -12.886 1.119 -1.835 1.00 33.52 H new ATOM 0 HG1 THR A 79 -11.083 1.877 -0.669 1.00 61.34 H new ATOM 0 HG21 THR A 79 -14.150 3.296 -1.523 1.00 21.10 H new ATOM 0 HG22 THR A 79 -15.143 1.890 -1.072 1.00 21.10 H new ATOM 0 HG23 THR A 79 -14.379 2.882 0.192 1.00 21.10 H new ATOM 1201 N TYR A 80 -11.843 -1.347 -0.886 1.00 20.43 N ATOM 1202 CA TYR A 80 -11.614 -2.663 -1.487 1.00 44.25 C ATOM 1203 C TYR A 80 -12.169 -3.824 -0.651 1.00 63.12 C ATOM 1204 O TYR A 80 -12.624 -4.821 -1.211 1.00 72.53 O ATOM 1205 CB TYR A 80 -10.121 -2.861 -1.764 1.00 15.41 C ATOM 1206 CG TYR A 80 -9.716 -2.380 -3.136 1.00 72.15 C ATOM 1207 CD1 TYR A 80 -9.917 -3.225 -4.241 1.00 3.21 C ATOM 1208 CD2 TYR A 80 -9.142 -1.111 -3.318 1.00 2.02 C ATOM 1209 CE1 TYR A 80 -9.541 -2.808 -5.525 1.00 71.15 C ATOM 1210 CE2 TYR A 80 -8.740 -0.694 -4.597 1.00 54.34 C ATOM 1211 CZ TYR A 80 -8.944 -1.542 -5.713 1.00 31.24 C ATOM 1212 OH TYR A 80 -8.546 -1.164 -6.957 1.00 43.01 O ATOM 0 H TYR A 80 -10.996 -0.791 -0.772 1.00 20.43 H new ATOM 0 HA TYR A 80 -12.168 -2.678 -2.426 1.00 44.25 H new ATOM 0 HB2 TYR A 80 -9.542 -2.327 -1.010 1.00 15.41 H new ATOM 0 HB3 TYR A 80 -9.874 -3.918 -1.666 1.00 15.41 H new ATOM 0 HD1 TYR A 80 -10.363 -4.199 -4.100 1.00 3.21 H new ATOM 0 HD2 TYR A 80 -9.009 -0.454 -2.471 1.00 2.02 H new ATOM 0 HE1 TYR A 80 -9.708 -3.456 -6.373 1.00 71.15 H new ATOM 0 HE2 TYR A 80 -8.276 0.272 -4.730 1.00 54.34 H new ATOM 0 HH TYR A 80 -8.156 -0.266 -6.917 1.00 43.01 H new ATOM 1222 N ARG A 81 -12.172 -3.710 0.682 1.00 64.24 N ATOM 1223 CA ARG A 81 -12.764 -4.723 1.557 1.00 70.52 C ATOM 1224 C ARG A 81 -14.293 -4.743 1.549 1.00 10.42 C ATOM 1225 O ARG A 81 -14.864 -5.710 2.043 1.00 14.01 O ATOM 1226 CB ARG A 81 -12.246 -4.547 2.994 1.00 12.43 C ATOM 1227 CG ARG A 81 -11.163 -5.583 3.349 1.00 51.05 C ATOM 1228 CD ARG A 81 -11.498 -6.319 4.645 1.00 23.14 C ATOM 1229 NE ARG A 81 -12.656 -7.221 4.496 1.00 23.23 N ATOM 1230 CZ ARG A 81 -12.959 -8.169 5.390 1.00 72.21 C ATOM 1231 NH1 ARG A 81 -12.422 -8.117 6.604 1.00 45.43 N ATOM 1232 NH2 ARG A 81 -13.767 -9.175 5.064 1.00 51.22 N ATOM 0 H ARG A 81 -11.766 -2.918 1.180 1.00 64.24 H new ATOM 0 HA ARG A 81 -12.450 -5.686 1.155 1.00 70.52 H new ATOM 0 HB2 ARG A 81 -11.839 -3.543 3.112 1.00 12.43 H new ATOM 0 HB3 ARG A 81 -13.078 -4.638 3.693 1.00 12.43 H new ATOM 0 HG2 ARG A 81 -11.065 -6.302 2.536 1.00 51.05 H new ATOM 0 HG3 ARG A 81 -10.199 -5.084 3.451 1.00 51.05 H new ATOM 0 HD2 ARG A 81 -10.631 -6.896 4.967 1.00 23.14 H new ATOM 0 HD3 ARG A 81 -11.706 -5.591 5.430 1.00 23.14 H new ATOM 0 HE ARG A 81 -13.252 -7.117 3.675 1.00 23.23 H new ATOM 0 HH11 ARG A 81 -11.785 -7.359 6.848 1.00 45.43 H new ATOM 0 HH12 ARG A 81 -12.647 -8.835 7.292 1.00 45.43 H new ATOM 0 HH21 ARG A 81 -14.162 -9.228 4.125 1.00 51.22 H new ATOM 0 HH22 ARG A 81 -13.992 -9.893 5.753 1.00 51.22 H new ATOM 1246 N GLN A 82 -14.960 -3.724 1.008 1.00 73.11 N ATOM 1247 CA GLN A 82 -16.411 -3.621 0.930 1.00 40.41 C ATOM 1248 C GLN A 82 -16.795 -3.245 -0.504 1.00 41.31 C ATOM 1249 O GLN A 82 -17.157 -2.103 -0.812 1.00 34.51 O ATOM 1250 CB GLN A 82 -16.934 -2.650 2.009 1.00 55.14 C ATOM 1251 CG GLN A 82 -17.735 -3.358 3.111 1.00 12.10 C ATOM 1252 CD GLN A 82 -19.075 -3.890 2.601 1.00 41.21 C ATOM 1253 OE1 GLN A 82 -19.158 -4.978 2.046 1.00 25.52 O ATOM 1254 NE2 GLN A 82 -20.152 -3.125 2.706 1.00 44.35 N ATOM 0 H GLN A 82 -14.485 -2.920 0.598 1.00 73.11 H new ATOM 0 HA GLN A 82 -16.893 -4.574 1.148 1.00 40.41 H new ATOM 0 HB2 GLN A 82 -16.091 -2.126 2.459 1.00 55.14 H new ATOM 0 HB3 GLN A 82 -17.563 -1.895 1.537 1.00 55.14 H new ATOM 0 HG2 GLN A 82 -17.147 -4.184 3.511 1.00 12.10 H new ATOM 0 HG3 GLN A 82 -17.911 -2.664 3.933 1.00 12.10 H new ATOM 0 HE21 GLN A 82 -20.090 -2.217 3.167 1.00 44.35 H new ATOM 0 HE22 GLN A 82 -21.043 -3.444 2.326 1.00 44.35 H new ATOM 1263 N ARG A 83 -16.673 -4.237 -1.384 1.00 71.23 N ATOM 1264 CA ARG A 83 -17.035 -4.228 -2.805 1.00 22.20 C ATOM 1265 C ARG A 83 -17.671 -5.572 -3.194 1.00 2.43 C ATOM 1266 O ARG A 83 -17.621 -5.983 -4.355 1.00 41.31 O ATOM 1267 CB ARG A 83 -15.807 -3.846 -3.662 1.00 74.35 C ATOM 1268 CG ARG A 83 -15.640 -2.323 -3.695 1.00 13.14 C ATOM 1269 CD ARG A 83 -14.411 -1.816 -4.450 1.00 64.51 C ATOM 1270 NE ARG A 83 -14.386 -2.196 -5.869 1.00 20.33 N ATOM 1271 CZ ARG A 83 -14.859 -1.479 -6.889 1.00 1.22 C ATOM 1272 NH1 ARG A 83 -15.734 -0.495 -6.702 1.00 35.22 N ATOM 1273 NH2 ARG A 83 -14.470 -1.738 -8.127 1.00 54.04 N ATOM 0 H ARG A 83 -16.289 -5.139 -1.103 1.00 71.23 H new ATOM 0 HA ARG A 83 -17.790 -3.466 -2.999 1.00 22.20 H new ATOM 0 HB2 ARG A 83 -14.910 -4.309 -3.252 1.00 74.35 H new ATOM 0 HB3 ARG A 83 -15.928 -4.228 -4.676 1.00 74.35 H new ATOM 0 HG2 ARG A 83 -16.530 -1.886 -4.148 1.00 13.14 H new ATOM 0 HG3 ARG A 83 -15.592 -1.957 -2.669 1.00 13.14 H new ATOM 0 HD2 ARG A 83 -14.373 -0.729 -4.374 1.00 64.51 H new ATOM 0 HD3 ARG A 83 -13.514 -2.201 -3.965 1.00 64.51 H new ATOM 0 HE ARG A 83 -13.965 -3.097 -6.096 1.00 20.33 H new ATOM 0 HH11 ARG A 83 -16.059 -0.273 -5.761 1.00 35.22 H new ATOM 0 HH12 ARG A 83 -16.080 0.038 -7.500 1.00 35.22 H new ATOM 0 HH21 ARG A 83 -13.804 -2.490 -8.306 1.00 54.04 H new ATOM 0 HH22 ARG A 83 -14.836 -1.186 -8.903 1.00 54.04 H new ATOM 1287 N GLU A 84 -18.250 -6.277 -2.222 1.00 30.34 N ATOM 1288 CA GLU A 84 -19.038 -7.483 -2.448 1.00 45.12 C ATOM 1289 C GLU A 84 -20.378 -7.087 -3.085 1.00 45.31 C ATOM 1290 O GLU A 84 -21.345 -6.763 -2.391 1.00 5.34 O ATOM 1291 CB GLU A 84 -19.227 -8.280 -1.139 1.00 44.03 C ATOM 1292 CG GLU A 84 -18.047 -9.231 -0.864 1.00 2.43 C ATOM 1293 CD GLU A 84 -18.414 -10.381 0.083 1.00 5.45 C ATOM 1294 OE1 GLU A 84 -19.328 -11.172 -0.262 1.00 13.22 O ATOM 1295 OE2 GLU A 84 -17.748 -10.546 1.138 1.00 44.14 O ATOM 0 H GLU A 84 -18.182 -6.019 -1.238 1.00 30.34 H new ATOM 0 HA GLU A 84 -18.508 -8.145 -3.133 1.00 45.12 H new ATOM 0 HB2 GLU A 84 -19.335 -7.586 -0.305 1.00 44.03 H new ATOM 0 HB3 GLU A 84 -20.151 -8.856 -1.196 1.00 44.03 H new ATOM 0 HG2 GLU A 84 -17.692 -9.644 -1.808 1.00 2.43 H new ATOM 0 HG3 GLU A 84 -17.222 -8.663 -0.435 1.00 2.43 H new ATOM 1302 N LYS A 85 -20.447 -7.130 -4.412 1.00 1.33 N ATOM 1303 CA LYS A 85 -21.626 -6.923 -5.249 1.00 42.23 C ATOM 1304 C LYS A 85 -21.488 -7.932 -6.375 1.00 42.33 C ATOM 1305 O LYS A 85 -22.481 -8.603 -6.721 1.00 24.45 O ATOM 1306 CB LYS A 85 -21.662 -5.472 -5.772 1.00 55.14 C ATOM 1307 CG LYS A 85 -23.070 -4.864 -5.894 1.00 61.32 C ATOM 1308 CD LYS A 85 -24.061 -5.587 -6.820 1.00 11.31 C ATOM 1309 CE LYS A 85 -23.514 -5.804 -8.236 1.00 55.03 C ATOM 1310 NZ LYS A 85 -24.585 -5.902 -9.251 1.00 44.00 N ATOM 0 H LYS A 85 -19.618 -7.325 -4.973 1.00 1.33 H new ATOM 0 HA LYS A 85 -22.561 -7.066 -4.707 1.00 42.23 H new ATOM 0 HB2 LYS A 85 -21.068 -4.846 -5.106 1.00 55.14 H new ATOM 0 HB3 LYS A 85 -21.183 -5.441 -6.750 1.00 55.14 H new ATOM 0 HG2 LYS A 85 -23.508 -4.819 -4.897 1.00 61.32 H new ATOM 0 HG3 LYS A 85 -22.967 -3.837 -6.243 1.00 61.32 H new ATOM 0 HD2 LYS A 85 -24.318 -6.553 -6.384 1.00 11.31 H new ATOM 0 HD3 LYS A 85 -24.983 -5.008 -6.878 1.00 11.31 H new ATOM 0 HE2 LYS A 85 -22.848 -4.981 -8.494 1.00 55.03 H new ATOM 0 HE3 LYS A 85 -22.916 -6.715 -8.255 1.00 55.03 H new ATOM 0 HZ1 LYS A 85 -24.161 -6.048 -10.190 1.00 44.00 H new ATOM 0 HZ2 LYS A 85 -25.207 -6.704 -9.023 1.00 44.00 H new ATOM 0 HZ3 LYS A 85 -25.141 -5.023 -9.255 1.00 44.00 H new TER 1324 LYS A 85