USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 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 14 LYS NZ :NH3+ -112:sc= 1.13 (180deg=0) USER MOD Set 1.2: A 82 THR OG1 : rot -111:sc= 0.894 USER MOD Set 2.1: A 33 HIS : no HD1:sc= -0.297 K(o=-0.51,f=1.2) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 15 ASN : amide:sc= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.031 K(o=-0.031,f=-1.9!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -9:sc= 0.415 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00459 USER MOD Single : A 28 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.1) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0519 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00904 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 79:sc= 0.747 USER MOD Single : A 54 HIS : no HD1:sc= -1.25 K(o=-1.3,f=0.2) USER MOD Single : A 55 LYS NZ :NH3+ -173:sc=-0.00954 (180deg=-0.103) USER MOD Single : A 63 ASN : amide:sc= -0.313 K(o=-0.31,f=-1.3) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.414 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.208 (180deg=-0.579) USER MOD Single : A 74 GLN : amide:sc= -0.519 X(o=-0.52,f=-0.13) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 81 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.25) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 87 HIS : no HD1:sc= 1.02 K(o=1,f=-6.5!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -6.023 -9.873 -10.147 1.00 33.04 N ATOM 61 CA GLY A 5 -4.590 -9.996 -10.339 1.00 73.02 C ATOM 62 C GLY A 5 -4.130 -8.883 -11.231 1.00 34.02 C ATOM 63 O GLY A 5 -3.004 -8.903 -11.724 1.00 40.22 O ATOM 0 HA2 GLY A 5 -4.074 -9.950 -9.380 1.00 73.02 H new ATOM 0 HA3 GLY A 5 -4.349 -10.962 -10.784 1.00 73.02 H new ATOM 67 N ASP A 6 -5.001 -7.873 -11.481 1.00 71.14 N ATOM 68 CA ASP A 6 -4.620 -6.770 -12.349 1.00 31.15 C ATOM 69 C ASP A 6 -3.765 -5.848 -11.550 1.00 74.20 C ATOM 70 O ASP A 6 -4.100 -5.514 -10.405 1.00 11.23 O ATOM 71 CB ASP A 6 -5.819 -5.951 -12.874 1.00 63.11 C ATOM 72 CG ASP A 6 -5.382 -5.098 -14.040 1.00 50.23 C ATOM 73 OD1 ASP A 6 -4.814 -5.659 -15.012 1.00 74.01 O ATOM 74 OD2 ASP A 6 -5.645 -3.886 -14.028 1.00 54.22 O ATOM 0 H ASP A 6 -5.944 -7.814 -11.097 1.00 71.14 H new ATOM 0 HA ASP A 6 -4.113 -7.197 -13.214 1.00 31.15 H new ATOM 0 HB2 ASP A 6 -6.622 -6.621 -13.182 1.00 63.11 H new ATOM 0 HB3 ASP A 6 -6.217 -5.320 -12.079 1.00 63.11 H new ATOM 79 N ILE A 7 -2.631 -5.449 -12.133 1.00 32.21 N ATOM 80 CA ILE A 7 -1.696 -4.611 -11.462 1.00 45.50 C ATOM 81 C ILE A 7 -1.930 -3.229 -11.978 1.00 44.14 C ATOM 82 O ILE A 7 -2.091 -3.023 -13.200 1.00 44.53 O ATOM 83 CB ILE A 7 -0.254 -4.995 -11.760 1.00 3.23 C ATOM 84 CG1 ILE A 7 -0.041 -6.519 -11.679 1.00 73.20 C ATOM 85 CG2 ILE A 7 0.688 -4.149 -10.887 1.00 64.42 C ATOM 86 CD1 ILE A 7 -0.346 -7.077 -10.337 1.00 43.14 C ATOM 0 H ILE A 7 -2.357 -5.709 -13.080 1.00 32.21 H new ATOM 0 HA ILE A 7 -1.839 -4.701 -10.385 1.00 45.50 H new ATOM 0 HB ILE A 7 -0.004 -4.759 -12.794 1.00 3.23 H new ATOM 0 HG12 ILE A 7 -0.671 -7.008 -12.422 1.00 73.20 H new ATOM 0 HG13 ILE A 7 0.993 -6.750 -11.936 1.00 73.20 H new ATOM 0 HG21 ILE A 7 1.722 -4.421 -11.098 1.00 64.42 H new ATOM 0 HG22 ILE A 7 0.539 -3.092 -11.109 1.00 64.42 H new ATOM 0 HG23 ILE A 7 0.472 -4.333 -9.835 1.00 64.42 H new ATOM 0 HD11 ILE A 7 -0.177 -8.154 -10.344 1.00 43.14 H new ATOM 0 HD12 ILE A 7 0.302 -6.612 -9.594 1.00 43.14 H new ATOM 0 HD13 ILE A 7 -1.388 -6.875 -10.087 1.00 43.14 H new ATOM 98 N PHE A 8 -1.959 -2.250 -11.081 1.00 3.23 N ATOM 99 CA PHE A 8 -2.086 -0.894 -11.510 1.00 20.22 C ATOM 100 C PHE A 8 -1.308 -0.052 -10.574 1.00 23.14 C ATOM 101 O PHE A 8 -0.923 -0.489 -9.490 1.00 62.14 O ATOM 102 CB PHE A 8 -3.552 -0.354 -11.659 1.00 1.32 C ATOM 103 CG PHE A 8 -4.408 -0.775 -10.494 1.00 4.15 C ATOM 104 CD1 PHE A 8 -4.945 -2.088 -10.428 1.00 74.32 C ATOM 105 CD2 PHE A 8 -4.736 0.148 -9.478 1.00 45.33 C ATOM 106 CE1 PHE A 8 -5.760 -2.471 -9.354 1.00 1.34 C ATOM 107 CE2 PHE A 8 -5.554 -0.239 -8.399 1.00 32.53 C ATOM 108 CZ PHE A 8 -6.063 -1.547 -8.332 1.00 12.12 C ATOM 0 H PHE A 8 -1.896 -2.383 -10.072 1.00 3.23 H new ATOM 0 HA PHE A 8 -1.698 -0.850 -12.528 1.00 20.22 H new ATOM 0 HB2 PHE A 8 -3.537 0.734 -11.728 1.00 1.32 H new ATOM 0 HB3 PHE A 8 -3.987 -0.726 -12.587 1.00 1.32 H new ATOM 0 HD1 PHE A 8 -4.724 -2.797 -11.212 1.00 74.32 H new ATOM 0 HD2 PHE A 8 -4.357 1.158 -9.528 1.00 45.33 H new ATOM 0 HE1 PHE A 8 -6.156 -3.475 -9.309 1.00 1.34 H new ATOM 0 HE2 PHE A 8 -5.791 0.472 -7.621 1.00 32.53 H new ATOM 0 HZ PHE A 8 -6.685 -1.844 -7.500 1.00 12.12 H new ATOM 118 N GLU A 9 -0.999 1.166 -11.026 1.00 62.41 N ATOM 119 CA GLU A 9 -0.223 2.080 -10.247 1.00 64.13 C ATOM 120 C GLU A 9 -1.139 3.175 -9.896 1.00 5.42 C ATOM 121 O GLU A 9 -2.081 3.455 -10.641 1.00 12.12 O ATOM 122 CB GLU A 9 0.946 2.703 -11.036 1.00 41.11 C ATOM 123 CG GLU A 9 1.744 1.681 -11.855 1.00 1.11 C ATOM 124 CD GLU A 9 2.911 2.395 -12.475 1.00 71.31 C ATOM 125 OE1 GLU A 9 3.796 2.860 -11.726 1.00 23.33 O ATOM 126 OE2 GLU A 9 2.941 2.518 -13.704 1.00 72.34 O ATOM 0 H GLU A 9 -1.286 1.526 -11.936 1.00 62.41 H new ATOM 0 HA GLU A 9 0.202 1.549 -9.395 1.00 64.13 H new ATOM 0 HB2 GLU A 9 0.555 3.468 -11.706 1.00 41.11 H new ATOM 0 HB3 GLU A 9 1.619 3.203 -10.339 1.00 41.11 H new ATOM 0 HG2 GLU A 9 2.090 0.868 -11.217 1.00 1.11 H new ATOM 0 HG3 GLU A 9 1.115 1.236 -12.626 1.00 1.11 H new ATOM 133 N VAL A 10 -0.894 3.829 -8.763 1.00 62.01 N ATOM 134 CA VAL A 10 -1.689 4.943 -8.399 1.00 62.24 C ATOM 135 C VAL A 10 -0.786 5.907 -7.710 1.00 42.11 C ATOM 136 O VAL A 10 0.247 5.533 -7.125 1.00 14.15 O ATOM 137 CB VAL A 10 -2.854 4.615 -7.467 1.00 44.15 C ATOM 138 CG1 VAL A 10 -3.895 3.783 -8.250 1.00 74.01 C ATOM 139 CG2 VAL A 10 -2.322 3.881 -6.224 1.00 72.42 C ATOM 0 H VAL A 10 -0.153 3.591 -8.103 1.00 62.01 H new ATOM 0 HA VAL A 10 -2.141 5.338 -9.309 1.00 62.24 H new ATOM 0 HB VAL A 10 -3.347 5.522 -7.117 1.00 44.15 H new ATOM 0 HG11 VAL A 10 -4.733 3.541 -7.597 1.00 74.01 H new ATOM 0 HG12 VAL A 10 -4.254 4.359 -9.103 1.00 74.01 H new ATOM 0 HG13 VAL A 10 -3.433 2.861 -8.603 1.00 74.01 H new ATOM 0 HG21 VAL A 10 -3.152 3.646 -5.557 1.00 72.42 H new ATOM 0 HG22 VAL A 10 -1.829 2.958 -6.530 1.00 72.42 H new ATOM 0 HG23 VAL A 10 -1.607 4.518 -5.703 1.00 72.42 H new ATOM 149 N GLU A 11 -1.161 7.169 -7.789 1.00 15.15 N ATOM 150 CA GLU A 11 -0.527 8.205 -7.065 1.00 10.14 C ATOM 151 C GLU A 11 -1.545 8.662 -6.064 1.00 74.04 C ATOM 152 O GLU A 11 -2.709 8.887 -6.413 1.00 52.24 O ATOM 153 CB GLU A 11 -0.131 9.423 -7.955 1.00 53.54 C ATOM 154 CG GLU A 11 -1.201 9.861 -8.980 1.00 61.42 C ATOM 155 CD GLU A 11 -1.206 8.886 -10.137 1.00 75.03 C ATOM 156 OE1 GLU A 11 -0.178 8.769 -10.823 1.00 42.15 O ATOM 157 OE2 GLU A 11 -2.238 8.227 -10.369 1.00 20.13 O ATOM 0 H GLU A 11 -1.932 7.488 -8.375 1.00 15.15 H new ATOM 0 HA GLU A 11 0.398 7.831 -6.626 1.00 10.14 H new ATOM 0 HB2 GLU A 11 0.096 10.269 -7.306 1.00 53.54 H new ATOM 0 HB3 GLU A 11 0.785 9.178 -8.492 1.00 53.54 H new ATOM 0 HG2 GLU A 11 -2.183 9.890 -8.509 1.00 61.42 H new ATOM 0 HG3 GLU A 11 -0.989 10.868 -9.338 1.00 61.42 H new ATOM 164 N LEU A 12 -1.147 8.780 -4.793 1.00 72.10 N ATOM 165 CA LEU A 12 -2.051 9.326 -3.807 1.00 52.20 C ATOM 166 C LEU A 12 -1.294 10.256 -2.970 1.00 34.43 C ATOM 167 O LEU A 12 -0.127 10.045 -2.688 1.00 71.43 O ATOM 168 CB LEU A 12 -2.720 8.322 -2.864 1.00 63.12 C ATOM 169 CG LEU A 12 -3.838 7.524 -3.528 1.00 21.53 C ATOM 170 CD1 LEU A 12 -3.357 6.195 -4.121 1.00 31.31 C ATOM 171 CD2 LEU A 12 -5.024 7.379 -2.595 1.00 53.50 C ATOM 0 H LEU A 12 -0.229 8.510 -4.441 1.00 72.10 H new ATOM 0 HA LEU A 12 -2.857 9.780 -4.384 1.00 52.20 H new ATOM 0 HB2 LEU A 12 -1.966 7.632 -2.485 1.00 63.12 H new ATOM 0 HB3 LEU A 12 -3.125 8.856 -2.004 1.00 63.12 H new ATOM 0 HG LEU A 12 -4.181 8.095 -4.390 1.00 21.53 H new ATOM 0 HD11 LEU A 12 -4.199 5.675 -4.578 1.00 31.31 H new ATOM 0 HD12 LEU A 12 -2.596 6.388 -4.877 1.00 31.31 H new ATOM 0 HD13 LEU A 12 -2.934 5.575 -3.330 1.00 31.31 H new ATOM 0 HD21 LEU A 12 -5.809 6.807 -3.090 1.00 53.50 H new ATOM 0 HD22 LEU A 12 -4.713 6.860 -1.689 1.00 53.50 H new ATOM 0 HD23 LEU A 12 -5.405 8.367 -2.334 1.00 53.50 H new ATOM 183 N ALA A 13 -1.971 11.317 -2.550 1.00 51.43 N ATOM 184 CA ALA A 13 -1.363 12.301 -1.700 1.00 52.12 C ATOM 185 C ALA A 13 -1.544 11.838 -0.291 1.00 34.42 C ATOM 186 O ALA A 13 -2.551 11.240 0.046 1.00 35.41 O ATOM 187 CB ALA A 13 -2.002 13.696 -1.817 1.00 2.52 C ATOM 0 H ALA A 13 -2.943 11.508 -2.792 1.00 51.43 H new ATOM 0 HA ALA A 13 -0.319 12.398 -1.999 1.00 52.12 H new ATOM 0 HB1 ALA A 13 -1.492 14.387 -1.146 1.00 2.52 H new ATOM 0 HB2 ALA A 13 -1.912 14.053 -2.843 1.00 2.52 H new ATOM 0 HB3 ALA A 13 -3.056 13.638 -1.544 1.00 2.52 H new ATOM 193 N LYS A 14 -0.547 12.107 0.565 1.00 63.11 N ATOM 194 CA LYS A 14 -0.661 11.795 1.989 1.00 4.31 C ATOM 195 C LYS A 14 -1.573 12.822 2.614 1.00 63.53 C ATOM 196 O LYS A 14 -2.268 12.526 3.576 1.00 14.43 O ATOM 197 CB LYS A 14 0.712 11.814 2.708 1.00 52.31 C ATOM 198 CG LYS A 14 1.596 10.639 2.261 1.00 5.13 C ATOM 199 CD LYS A 14 3.103 10.932 2.204 1.00 13.33 C ATOM 200 CE LYS A 14 3.846 10.970 3.547 1.00 1.20 C ATOM 201 NZ LYS A 14 5.303 11.146 3.312 1.00 13.21 N ATOM 0 H LYS A 14 0.338 12.536 0.295 1.00 63.11 H new ATOM 0 HA LYS A 14 -1.061 10.787 2.096 1.00 4.31 H new ATOM 0 HB2 LYS A 14 1.221 12.755 2.498 1.00 52.31 H new ATOM 0 HB3 LYS A 14 0.560 11.767 3.786 1.00 52.31 H new ATOM 0 HG2 LYS A 14 1.431 9.803 2.941 1.00 5.13 H new ATOM 0 HG3 LYS A 14 1.268 10.315 1.273 1.00 5.13 H new ATOM 0 HD2 LYS A 14 3.574 10.176 1.575 1.00 13.33 H new ATOM 0 HD3 LYS A 14 3.245 11.892 1.708 1.00 13.33 H new ATOM 0 HE2 LYS A 14 3.466 11.787 4.160 1.00 1.20 H new ATOM 0 HE3 LYS A 14 3.666 10.047 4.099 1.00 1.20 H new ATOM 0 HZ1 LYS A 14 5.806 10.279 3.588 1.00 13.21 H new ATOM 0 HZ2 LYS A 14 5.471 11.339 2.304 1.00 13.21 H new ATOM 0 HZ3 LYS A 14 5.652 11.944 3.880 1.00 13.21 H new ATOM 215 N ASN A 15 -1.613 14.036 2.010 1.00 4.11 N ATOM 216 CA ASN A 15 -2.468 15.147 2.459 1.00 20.02 C ATOM 217 C ASN A 15 -1.933 15.691 3.760 1.00 62.11 C ATOM 218 O ASN A 15 -2.217 15.156 4.833 1.00 72.50 O ATOM 219 CB ASN A 15 -3.987 14.800 2.614 1.00 73.44 C ATOM 220 CG ASN A 15 -4.795 16.088 2.828 1.00 13.03 C ATOM 221 OD1 ASN A 15 -5.245 16.706 1.869 1.00 24.25 O ATOM 222 ND2 ASN A 15 -4.997 16.497 4.093 1.00 62.31 N ATOM 0 H ASN A 15 -1.047 14.266 1.193 1.00 4.11 H new ATOM 0 HA ASN A 15 -2.426 15.892 1.664 1.00 20.02 H new ATOM 0 HB2 ASN A 15 -4.343 14.280 1.725 1.00 73.44 H new ATOM 0 HB3 ASN A 15 -4.131 14.125 3.458 1.00 73.44 H new ATOM 0 HD21 ASN A 15 -5.537 17.343 4.275 1.00 62.31 H new ATOM 0 HD22 ASN A 15 -4.610 15.962 4.870 1.00 62.31 H new ATOM 229 N ASP A 16 -1.131 16.791 3.675 1.00 73.35 N ATOM 230 CA ASP A 16 -0.516 17.445 4.857 1.00 31.41 C ATOM 231 C ASP A 16 0.394 16.462 5.510 1.00 71.25 C ATOM 232 O ASP A 16 0.493 16.385 6.743 1.00 64.14 O ATOM 233 CB ASP A 16 -1.498 18.048 5.893 1.00 31.35 C ATOM 234 CG ASP A 16 -2.228 19.196 5.234 1.00 13.41 C ATOM 235 OD1 ASP A 16 -1.558 20.161 4.789 1.00 43.53 O ATOM 236 OD2 ASP A 16 -3.469 19.152 5.146 1.00 32.22 O ATOM 0 H ASP A 16 -0.897 17.242 2.791 1.00 73.35 H new ATOM 0 HA ASP A 16 0.019 18.315 4.477 1.00 31.41 H new ATOM 0 HB2 ASP A 16 -2.206 17.291 6.232 1.00 31.35 H new ATOM 0 HB3 ASP A 16 -0.957 18.396 6.773 1.00 31.35 H new ATOM 241 N ASN A 17 1.105 15.729 4.620 1.00 62.02 N ATOM 242 CA ASN A 17 2.124 14.684 4.900 1.00 51.20 C ATOM 243 C ASN A 17 1.691 13.616 5.886 1.00 14.55 C ATOM 244 O ASN A 17 2.401 12.627 6.047 1.00 61.41 O ATOM 245 CB ASN A 17 3.498 15.237 5.349 1.00 15.01 C ATOM 246 CG ASN A 17 4.122 16.013 4.194 1.00 42.24 C ATOM 247 OD1 ASN A 17 3.684 15.905 3.032 1.00 44.30 O ATOM 248 ND2 ASN A 17 5.167 16.799 4.489 1.00 42.12 N ATOM 0 H ASN A 17 0.974 15.860 3.617 1.00 62.02 H new ATOM 0 HA ASN A 17 2.233 14.220 3.920 1.00 51.20 H new ATOM 0 HB2 ASN A 17 3.378 15.886 6.217 1.00 15.01 H new ATOM 0 HB3 ASN A 17 4.153 14.419 5.651 1.00 15.01 H new ATOM 0 HD21 ASN A 17 5.629 17.331 3.752 1.00 42.12 H new ATOM 0 HD22 ASN A 17 5.500 16.865 5.451 1.00 42.12 H new ATOM 255 N SER A 18 0.560 13.753 6.560 1.00 70.42 N ATOM 256 CA SER A 18 0.181 12.796 7.542 1.00 62.44 C ATOM 257 C SER A 18 -0.671 11.808 6.864 1.00 11.10 C ATOM 258 O SER A 18 -1.752 12.125 6.418 1.00 2.23 O ATOM 259 CB SER A 18 -0.638 13.401 8.698 1.00 5.25 C ATOM 260 OG SER A 18 0.146 14.368 9.387 1.00 21.35 O ATOM 0 H SER A 18 -0.098 14.522 6.433 1.00 70.42 H new ATOM 0 HA SER A 18 1.089 12.373 7.973 1.00 62.44 H new ATOM 0 HB2 SER A 18 -1.545 13.864 8.310 1.00 5.25 H new ATOM 0 HB3 SER A 18 -0.950 12.615 9.386 1.00 5.25 H new ATOM 0 HG SER A 18 -0.378 14.752 10.120 1.00 21.35 H new ATOM 266 N LEU A 19 -0.212 10.564 6.792 1.00 62.05 N ATOM 267 CA LEU A 19 -1.032 9.519 6.271 1.00 45.21 C ATOM 268 C LEU A 19 -1.815 9.024 7.461 1.00 71.24 C ATOM 269 O LEU A 19 -2.084 9.779 8.399 1.00 51.31 O ATOM 270 CB LEU A 19 -0.244 8.331 5.590 1.00 15.14 C ATOM 271 CG LEU A 19 0.935 7.716 6.419 1.00 52.43 C ATOM 272 CD1 LEU A 19 1.204 6.246 6.034 1.00 43.31 C ATOM 273 CD2 LEU A 19 2.235 8.560 6.354 1.00 73.01 C ATOM 0 H LEU A 19 0.719 10.273 7.090 1.00 62.05 H new ATOM 0 HA LEU A 19 -1.651 9.908 5.463 1.00 45.21 H new ATOM 0 HB2 LEU A 19 -0.954 7.536 5.362 1.00 15.14 H new ATOM 0 HB3 LEU A 19 0.154 8.685 4.639 1.00 15.14 H new ATOM 0 HG LEU A 19 0.606 7.736 7.458 1.00 52.43 H new ATOM 0 HD11 LEU A 19 2.029 5.858 6.632 1.00 43.31 H new ATOM 0 HD12 LEU A 19 0.310 5.652 6.220 1.00 43.31 H new ATOM 0 HD13 LEU A 19 1.464 6.188 4.977 1.00 43.31 H new ATOM 0 HD21 LEU A 19 3.011 8.079 6.949 1.00 73.01 H new ATOM 0 HD22 LEU A 19 2.567 8.638 5.319 1.00 73.01 H new ATOM 0 HD23 LEU A 19 2.041 9.557 6.749 1.00 73.01 H new ATOM 285 N GLY A 20 -2.190 7.773 7.473 1.00 2.04 N ATOM 286 CA GLY A 20 -2.876 7.264 8.624 1.00 60.33 C ATOM 287 C GLY A 20 -3.448 5.971 8.249 1.00 71.20 C ATOM 288 O GLY A 20 -4.469 5.569 8.771 1.00 54.14 O ATOM 0 H GLY A 20 -2.036 7.104 6.718 1.00 2.04 H new ATOM 0 HA2 GLY A 20 -2.189 7.152 9.463 1.00 60.33 H new ATOM 0 HA3 GLY A 20 -3.658 7.953 8.942 1.00 60.33 H new ATOM 292 N ILE A 21 -2.792 5.270 7.321 1.00 25.33 N ATOM 293 CA ILE A 21 -3.279 3.995 6.879 1.00 61.53 C ATOM 294 C ILE A 21 -2.585 3.021 7.807 1.00 42.10 C ATOM 295 O ILE A 21 -1.762 3.449 8.600 1.00 51.45 O ATOM 296 CB ILE A 21 -2.899 3.689 5.411 1.00 5.33 C ATOM 297 CG1 ILE A 21 -2.626 4.994 4.594 1.00 51.31 C ATOM 298 CG2 ILE A 21 -4.019 2.843 4.780 1.00 24.45 C ATOM 299 CD1 ILE A 21 -3.858 5.900 4.408 1.00 62.21 C ATOM 0 H ILE A 21 -1.928 5.576 6.873 1.00 25.33 H new ATOM 0 HA ILE A 21 -4.367 3.945 6.908 1.00 61.53 H new ATOM 0 HB ILE A 21 -1.966 3.125 5.392 1.00 5.33 H new ATOM 0 HG12 ILE A 21 -1.844 5.564 5.095 1.00 51.31 H new ATOM 0 HG13 ILE A 21 -2.241 4.719 3.612 1.00 51.31 H new ATOM 0 HG21 ILE A 21 -3.766 2.619 3.744 1.00 24.45 H new ATOM 0 HG22 ILE A 21 -4.129 1.912 5.336 1.00 24.45 H new ATOM 0 HG23 ILE A 21 -4.956 3.398 4.812 1.00 24.45 H new ATOM 0 HD11 ILE A 21 -3.578 6.781 3.831 1.00 62.21 H new ATOM 0 HD12 ILE A 21 -4.636 5.351 3.878 1.00 62.21 H new ATOM 0 HD13 ILE A 21 -4.233 6.210 5.384 1.00 62.21 H new ATOM 311 N CYS A 22 -2.874 1.715 7.730 1.00 32.03 N ATOM 312 CA CYS A 22 -2.080 0.770 8.504 1.00 2.13 C ATOM 313 C CYS A 22 -2.130 -0.482 7.710 1.00 12.32 C ATOM 314 O CYS A 22 -2.859 -0.561 6.710 1.00 54.40 O ATOM 315 CB CYS A 22 -2.629 0.440 9.943 1.00 23.02 C ATOM 316 SG CYS A 22 -2.907 1.937 10.968 1.00 40.24 S ATOM 0 H CYS A 22 -3.619 1.308 7.164 1.00 32.03 H new ATOM 0 HA CYS A 22 -1.092 1.201 8.667 1.00 2.13 H new ATOM 0 HB2 CYS A 22 -3.566 -0.109 9.851 1.00 23.02 H new ATOM 0 HB3 CYS A 22 -1.924 -0.216 10.453 1.00 23.02 H new ATOM 0 HG CYS A 22 -2.408 2.975 10.365 1.00 40.24 H new ATOM 321 N VAL A 23 -1.258 -1.442 8.042 1.00 23.42 N ATOM 322 CA VAL A 23 -1.030 -2.546 7.165 1.00 73.53 C ATOM 323 C VAL A 23 -0.830 -3.772 8.011 1.00 33.41 C ATOM 324 O VAL A 23 -0.830 -3.702 9.240 1.00 52.11 O ATOM 325 CB VAL A 23 0.192 -2.350 6.266 1.00 74.32 C ATOM 326 CG1 VAL A 23 -0.111 -1.222 5.250 1.00 13.02 C ATOM 327 CG2 VAL A 23 1.445 -2.059 7.138 1.00 34.33 C ATOM 0 H VAL A 23 -0.715 -1.458 8.906 1.00 23.42 H new ATOM 0 HA VAL A 23 -1.893 -2.641 6.506 1.00 73.53 H new ATOM 0 HB VAL A 23 0.409 -3.256 5.700 1.00 74.32 H new ATOM 0 HG11 VAL A 23 0.754 -1.073 4.603 1.00 13.02 H new ATOM 0 HG12 VAL A 23 -0.974 -1.500 4.644 1.00 13.02 H new ATOM 0 HG13 VAL A 23 -0.327 -0.298 5.786 1.00 13.02 H new ATOM 0 HG21 VAL A 23 2.313 -1.920 6.493 1.00 34.33 H new ATOM 0 HG22 VAL A 23 1.279 -1.154 7.723 1.00 34.33 H new ATOM 0 HG23 VAL A 23 1.623 -2.898 7.810 1.00 34.33 H new ATOM 337 N THR A 24 -0.658 -4.916 7.338 1.00 0.10 N ATOM 338 CA THR A 24 -0.417 -6.162 8.003 1.00 54.41 C ATOM 339 C THR A 24 0.206 -7.040 6.947 1.00 54.33 C ATOM 340 O THR A 24 0.221 -6.675 5.768 1.00 30.04 O ATOM 341 CB THR A 24 -1.694 -6.822 8.574 1.00 73.52 C ATOM 342 OG1 THR A 24 -1.384 -7.978 9.371 1.00 72.02 O ATOM 343 CG2 THR A 24 -2.648 -7.215 7.410 1.00 64.52 C ATOM 0 H THR A 24 -0.685 -4.984 6.321 1.00 0.10 H new ATOM 0 HA THR A 24 0.219 -6.009 8.875 1.00 54.41 H new ATOM 0 HB THR A 24 -2.186 -6.097 9.222 1.00 73.52 H new ATOM 0 HG1 THR A 24 -2.213 -8.369 9.717 1.00 72.02 H new ATOM 0 HG21 THR A 24 -3.546 -7.680 7.817 1.00 64.52 H new ATOM 0 HG22 THR A 24 -2.924 -6.322 6.848 1.00 64.52 H new ATOM 0 HG23 THR A 24 -2.144 -7.919 6.748 1.00 64.52 H new ATOM 351 N GLY A 25 0.713 -8.219 7.347 1.00 23.43 N ATOM 352 CA GLY A 25 1.251 -9.163 6.398 1.00 70.22 C ATOM 353 C GLY A 25 2.684 -8.854 6.165 1.00 64.11 C ATOM 354 O GLY A 25 3.359 -8.267 7.021 1.00 15.40 O ATOM 0 H GLY A 25 0.754 -8.524 8.319 1.00 23.43 H new ATOM 0 HA2 GLY A 25 1.142 -10.180 6.776 1.00 70.22 H new ATOM 0 HA3 GLY A 25 0.698 -9.110 5.460 1.00 70.22 H new ATOM 358 N GLY A 26 3.185 -9.225 4.962 1.00 12.15 N ATOM 359 CA GLY A 26 4.515 -8.850 4.563 1.00 2.12 C ATOM 360 C GLY A 26 5.307 -10.075 4.330 1.00 61.44 C ATOM 361 O GLY A 26 5.501 -10.501 3.189 1.00 55.52 O ATOM 0 H GLY A 26 2.674 -9.778 4.274 1.00 12.15 H new ATOM 0 HA2 GLY A 26 4.480 -8.245 3.657 1.00 2.12 H new ATOM 0 HA3 GLY A 26 4.983 -8.240 5.336 1.00 2.12 H new ATOM 365 N VAL A 27 5.814 -10.666 5.433 1.00 35.11 N ATOM 366 CA VAL A 27 6.844 -11.699 5.373 1.00 62.30 C ATOM 367 C VAL A 27 6.267 -13.043 4.955 1.00 15.03 C ATOM 368 O VAL A 27 6.892 -14.070 5.172 1.00 45.53 O ATOM 369 CB VAL A 27 7.625 -11.870 6.669 1.00 25.44 C ATOM 370 CG1 VAL A 27 9.118 -11.905 6.297 1.00 63.11 C ATOM 371 CG2 VAL A 27 7.249 -10.739 7.649 1.00 62.22 C ATOM 0 H VAL A 27 5.516 -10.435 6.381 1.00 35.11 H new ATOM 0 HA VAL A 27 7.545 -11.346 4.617 1.00 62.30 H new ATOM 0 HB VAL A 27 7.384 -12.799 7.186 1.00 25.44 H new ATOM 0 HG11 VAL A 27 9.715 -12.027 7.201 1.00 63.11 H new ATOM 0 HG12 VAL A 27 9.305 -12.741 5.623 1.00 63.11 H new ATOM 0 HG13 VAL A 27 9.392 -10.972 5.804 1.00 63.11 H new ATOM 0 HG21 VAL A 27 7.808 -10.861 8.577 1.00 62.22 H new ATOM 0 HG22 VAL A 27 7.493 -9.775 7.203 1.00 62.22 H new ATOM 0 HG23 VAL A 27 6.181 -10.781 7.861 1.00 62.22 H new ATOM 381 N ASN A 28 5.051 -13.039 4.386 1.00 1.12 N ATOM 382 CA ASN A 28 4.366 -14.254 3.904 1.00 75.23 C ATOM 383 C ASN A 28 3.632 -14.872 5.063 1.00 4.04 C ATOM 384 O ASN A 28 3.036 -15.941 4.935 1.00 34.50 O ATOM 385 CB ASN A 28 5.289 -15.314 3.201 1.00 63.14 C ATOM 386 CG ASN A 28 4.437 -16.285 2.389 1.00 4.34 C ATOM 387 OD1 ASN A 28 3.744 -15.881 1.446 1.00 35.03 O ATOM 388 ND2 ASN A 28 4.487 -17.581 2.739 1.00 5.24 N ATOM 0 H ASN A 28 4.509 -12.186 4.245 1.00 1.12 H new ATOM 0 HA ASN A 28 3.683 -13.936 3.116 1.00 75.23 H new ATOM 0 HB2 ASN A 28 6.004 -14.812 2.550 1.00 63.14 H new ATOM 0 HB3 ASN A 28 5.866 -15.859 3.948 1.00 63.14 H new ATOM 0 HD21 ASN A 28 3.942 -18.270 2.221 1.00 5.24 H new ATOM 0 HD22 ASN A 28 5.070 -17.876 3.522 1.00 5.24 H new ATOM 395 N THR A 29 3.640 -14.139 6.209 1.00 32.00 N ATOM 396 CA THR A 29 2.737 -14.295 7.364 1.00 75.20 C ATOM 397 C THR A 29 1.247 -14.439 6.927 1.00 40.34 C ATOM 398 O THR A 29 0.958 -14.708 5.802 1.00 11.05 O ATOM 399 CB THR A 29 2.912 -13.160 8.373 1.00 12.42 C ATOM 400 OG1 THR A 29 2.674 -11.889 7.751 1.00 24.43 O ATOM 401 CG2 THR A 29 4.376 -13.198 8.871 1.00 3.15 C ATOM 0 H THR A 29 4.314 -13.387 6.351 1.00 32.00 H new ATOM 0 HA THR A 29 3.018 -15.224 7.860 1.00 75.20 H new ATOM 0 HB THR A 29 2.204 -13.286 9.193 1.00 12.42 H new ATOM 0 HG1 THR A 29 2.789 -11.175 8.412 1.00 24.43 H new ATOM 0 HG21 THR A 29 4.535 -12.399 9.595 1.00 3.15 H new ATOM 0 HG22 THR A 29 4.575 -14.160 9.343 1.00 3.15 H new ATOM 0 HG23 THR A 29 5.051 -13.062 8.026 1.00 3.15 H new ATOM 409 N SER A 30 0.301 -14.346 7.899 1.00 60.14 N ATOM 410 CA SER A 30 -1.153 -14.609 7.720 1.00 31.12 C ATOM 411 C SER A 30 -1.703 -14.233 6.329 1.00 35.41 C ATOM 412 O SER A 30 -2.468 -15.001 5.743 1.00 41.53 O ATOM 413 CB SER A 30 -1.985 -13.900 8.793 1.00 74.11 C ATOM 414 OG SER A 30 -1.440 -14.212 10.084 1.00 32.44 O ATOM 0 H SER A 30 0.535 -14.079 8.855 1.00 60.14 H new ATOM 0 HA SER A 30 -1.247 -15.690 7.819 1.00 31.12 H new ATOM 0 HB2 SER A 30 -1.973 -12.822 8.629 1.00 74.11 H new ATOM 0 HB3 SER A 30 -3.026 -14.219 8.736 1.00 74.11 H new ATOM 0 HG SER A 30 -1.965 -13.761 10.778 1.00 32.44 H new ATOM 420 N VAL A 31 -1.323 -13.060 5.772 1.00 35.24 N ATOM 421 CA VAL A 31 -1.814 -12.702 4.444 1.00 3.24 C ATOM 422 C VAL A 31 -1.117 -13.616 3.433 1.00 2.00 C ATOM 423 O VAL A 31 0.096 -13.805 3.476 1.00 65.34 O ATOM 424 CB VAL A 31 -1.618 -11.247 4.074 1.00 40.34 C ATOM 425 CG1 VAL A 31 -2.319 -10.386 5.150 1.00 21.24 C ATOM 426 CG2 VAL A 31 -0.121 -10.932 3.929 1.00 63.51 C ATOM 0 H VAL A 31 -0.703 -12.378 6.209 1.00 35.24 H new ATOM 0 HA VAL A 31 -2.895 -12.841 4.439 1.00 3.24 H new ATOM 0 HB VAL A 31 -2.066 -11.019 3.107 1.00 40.34 H new ATOM 0 HG11 VAL A 31 -2.194 -9.330 4.909 1.00 21.24 H new ATOM 0 HG12 VAL A 31 -3.381 -10.629 5.176 1.00 21.24 H new ATOM 0 HG13 VAL A 31 -1.876 -10.591 6.125 1.00 21.24 H new ATOM 0 HG21 VAL A 31 0.006 -9.883 3.663 1.00 63.51 H new ATOM 0 HG22 VAL A 31 0.386 -11.131 4.873 1.00 63.51 H new ATOM 0 HG23 VAL A 31 0.309 -11.559 3.148 1.00 63.51 H new ATOM 436 N ARG A 32 -1.890 -14.255 2.534 1.00 54.13 N ATOM 437 CA ARG A 32 -1.366 -15.350 1.743 1.00 62.31 C ATOM 438 C ARG A 32 -0.343 -14.818 0.804 1.00 74.43 C ATOM 439 O ARG A 32 0.786 -15.295 0.779 1.00 42.53 O ATOM 440 CB ARG A 32 -2.483 -16.078 0.919 1.00 53.31 C ATOM 441 CG ARG A 32 -2.171 -17.527 0.418 1.00 33.32 C ATOM 442 CD ARG A 32 -1.447 -17.647 -0.954 1.00 73.15 C ATOM 443 NE ARG A 32 0.007 -17.370 -0.757 1.00 32.24 N ATOM 444 CZ ARG A 32 0.874 -17.191 -1.814 1.00 54.44 C ATOM 445 NH1 ARG A 32 0.438 -17.312 -3.107 1.00 12.53 N ATOM 446 NH2 ARG A 32 2.181 -16.877 -1.555 1.00 34.30 N ATOM 0 H ARG A 32 -2.866 -14.025 2.349 1.00 54.13 H new ATOM 0 HA ARG A 32 -0.933 -16.078 2.429 1.00 62.31 H new ATOM 0 HB2 ARG A 32 -3.383 -16.119 1.532 1.00 53.31 H new ATOM 0 HB3 ARG A 32 -2.717 -15.463 0.050 1.00 53.31 H new ATOM 0 HG2 ARG A 32 -1.559 -18.024 1.171 1.00 33.32 H new ATOM 0 HG3 ARG A 32 -3.110 -18.076 0.357 1.00 33.32 H new ATOM 0 HD2 ARG A 32 -1.588 -18.645 -1.369 1.00 73.15 H new ATOM 0 HD3 ARG A 32 -1.872 -16.942 -1.668 1.00 73.15 H new ATOM 0 HE ARG A 32 0.372 -17.311 0.194 1.00 32.24 H new ATOM 0 HH11 ARG A 32 -0.539 -17.537 -3.297 1.00 12.53 H new ATOM 0 HH12 ARG A 32 1.090 -17.177 -3.880 1.00 12.53 H new ATOM 0 HH21 ARG A 32 2.501 -16.779 -0.591 1.00 34.30 H new ATOM 0 HH22 ARG A 32 2.835 -16.741 -2.326 1.00 34.30 H new ATOM 460 N HIS A 33 -0.737 -13.821 -0.022 1.00 44.35 N ATOM 461 CA HIS A 33 0.046 -13.455 -1.200 1.00 61.43 C ATOM 462 C HIS A 33 1.434 -12.971 -0.826 1.00 41.10 C ATOM 463 O HIS A 33 2.334 -13.047 -1.639 1.00 60.22 O ATOM 464 CB HIS A 33 -0.628 -12.384 -2.091 1.00 15.12 C ATOM 465 CG HIS A 33 -1.854 -12.900 -2.810 1.00 54.31 C ATOM 466 ND1 HIS A 33 -1.784 -13.890 -3.750 1.00 22.10 N ATOM 467 CD2 HIS A 33 -3.149 -12.525 -2.717 1.00 22.42 C ATOM 468 CE1 HIS A 33 -3.017 -14.112 -4.220 1.00 14.42 C ATOM 469 NE2 HIS A 33 -3.861 -13.281 -3.604 1.00 44.55 N ATOM 0 H HIS A 33 -1.584 -13.268 0.112 1.00 44.35 H new ATOM 0 HA HIS A 33 0.114 -14.377 -1.778 1.00 61.43 H new ATOM 0 HB2 HIS A 33 -0.908 -11.530 -1.474 1.00 15.12 H new ATOM 0 HB3 HIS A 33 0.093 -12.024 -2.825 1.00 15.12 H new ATOM 0 HD2 HIS A 33 -3.548 -11.766 -2.061 1.00 22.42 H new ATOM 0 HE1 HIS A 33 -3.284 -14.841 -4.971 1.00 14.42 H new ATOM 0 HE2 HIS A 33 -4.866 -13.221 -3.768 1.00 44.55 H new ATOM 478 N GLY A 34 1.666 -12.526 0.427 1.00 54.30 N ATOM 479 CA GLY A 34 3.031 -12.244 0.847 1.00 64.40 C ATOM 480 C GLY A 34 3.362 -10.865 0.417 1.00 63.35 C ATOM 481 O GLY A 34 4.330 -10.626 -0.310 1.00 24.23 O ATOM 0 H GLY A 34 0.948 -12.363 1.133 1.00 54.30 H new ATOM 0 HA2 GLY A 34 3.125 -12.340 1.929 1.00 64.40 H new ATOM 0 HA3 GLY A 34 3.723 -12.959 0.402 1.00 64.40 H new ATOM 485 N GLY A 35 2.546 -9.925 0.838 1.00 54.12 N ATOM 486 CA GLY A 35 2.751 -8.551 0.556 1.00 32.34 C ATOM 487 C GLY A 35 2.067 -7.910 1.670 1.00 34.45 C ATOM 488 O GLY A 35 1.526 -8.607 2.521 1.00 53.50 O ATOM 0 H GLY A 35 1.712 -10.113 1.394 1.00 54.12 H new ATOM 0 HA2 GLY A 35 3.810 -8.294 0.525 1.00 32.34 H new ATOM 0 HA3 GLY A 35 2.325 -8.263 -0.405 1.00 32.34 H new ATOM 492 N ILE A 36 2.059 -6.579 1.718 1.00 3.40 N ATOM 493 CA ILE A 36 1.380 -5.918 2.731 1.00 24.42 C ATOM 494 C ILE A 36 0.013 -5.759 2.222 1.00 61.13 C ATOM 495 O ILE A 36 -0.187 -5.455 1.039 1.00 65.31 O ATOM 496 CB ILE A 36 2.013 -4.576 3.078 1.00 24.13 C ATOM 497 CG1 ILE A 36 2.462 -4.607 4.498 1.00 13.24 C ATOM 498 CG2 ILE A 36 1.090 -3.370 2.767 1.00 2.43 C ATOM 499 CD1 ILE A 36 3.411 -5.725 4.811 1.00 13.12 C ATOM 0 H ILE A 36 2.529 -5.972 1.046 1.00 3.40 H new ATOM 0 HA ILE A 36 1.409 -6.481 3.664 1.00 24.42 H new ATOM 0 HB ILE A 36 2.881 -4.425 2.436 1.00 24.13 H new ATOM 0 HG12 ILE A 36 2.942 -3.658 4.738 1.00 13.24 H new ATOM 0 HG13 ILE A 36 1.588 -4.694 5.143 1.00 13.24 H new ATOM 0 HG21 ILE A 36 1.598 -2.444 3.036 1.00 2.43 H new ATOM 0 HG22 ILE A 36 0.853 -3.358 1.703 1.00 2.43 H new ATOM 0 HG23 ILE A 36 0.169 -3.459 3.343 1.00 2.43 H new ATOM 0 HD11 ILE A 36 3.692 -5.680 5.863 1.00 13.12 H new ATOM 0 HD12 ILE A 36 2.928 -6.680 4.605 1.00 13.12 H new ATOM 0 HD13 ILE A 36 4.304 -5.628 4.193 1.00 13.12 H new ATOM 511 N TYR A 37 -0.965 -6.008 3.069 1.00 3.20 N ATOM 512 CA TYR A 37 -2.340 -5.761 2.696 1.00 52.23 C ATOM 513 C TYR A 37 -2.684 -4.538 3.442 1.00 40.20 C ATOM 514 O TYR A 37 -2.126 -4.292 4.526 1.00 41.21 O ATOM 515 CB TYR A 37 -3.371 -6.846 3.169 1.00 51.34 C ATOM 516 CG TYR A 37 -3.325 -8.126 2.333 1.00 15.12 C ATOM 517 CD1 TYR A 37 -2.327 -8.382 1.339 1.00 44.42 C ATOM 518 CD2 TYR A 37 -4.318 -9.114 2.552 1.00 51.42 C ATOM 519 CE1 TYR A 37 -2.332 -9.600 0.621 1.00 63.12 C ATOM 520 CE2 TYR A 37 -4.319 -10.316 1.828 1.00 52.11 C ATOM 521 CZ TYR A 37 -3.321 -10.565 0.871 1.00 11.41 C ATOM 522 OH TYR A 37 -3.298 -11.797 0.179 1.00 35.31 O ATOM 0 H TYR A 37 -0.834 -6.377 4.011 1.00 3.20 H new ATOM 0 HA TYR A 37 -2.402 -5.728 1.608 1.00 52.23 H new ATOM 0 HB2 TYR A 37 -3.175 -7.094 4.212 1.00 51.34 H new ATOM 0 HB3 TYR A 37 -4.376 -6.427 3.125 1.00 51.34 H new ATOM 0 HD1 TYR A 37 -1.567 -7.642 1.137 1.00 44.42 H new ATOM 0 HD2 TYR A 37 -5.087 -8.938 3.289 1.00 51.42 H new ATOM 0 HE1 TYR A 37 -1.572 -9.789 -0.123 1.00 63.12 H new ATOM 0 HE2 TYR A 37 -5.089 -11.052 2.007 1.00 52.11 H new ATOM 0 HH TYR A 37 -4.052 -12.350 0.471 1.00 35.31 H new ATOM 532 N VAL A 38 -3.615 -3.729 2.917 1.00 24.32 N ATOM 533 CA VAL A 38 -4.035 -2.581 3.646 1.00 34.12 C ATOM 534 C VAL A 38 -5.062 -3.079 4.639 1.00 24.03 C ATOM 535 O VAL A 38 -6.206 -3.397 4.296 1.00 55.10 O ATOM 536 CB VAL A 38 -4.633 -1.507 2.764 1.00 74.21 C ATOM 537 CG1 VAL A 38 -5.038 -0.323 3.641 1.00 62.53 C ATOM 538 CG2 VAL A 38 -3.573 -1.121 1.704 1.00 51.43 C ATOM 0 H VAL A 38 -4.066 -3.864 2.012 1.00 24.32 H new ATOM 0 HA VAL A 38 -3.178 -2.112 4.129 1.00 34.12 H new ATOM 0 HB VAL A 38 -5.528 -1.852 2.246 1.00 74.21 H new ATOM 0 HG11 VAL A 38 -5.471 0.460 3.018 1.00 62.53 H new ATOM 0 HG12 VAL A 38 -5.773 -0.650 4.377 1.00 62.53 H new ATOM 0 HG13 VAL A 38 -4.159 0.067 4.155 1.00 62.53 H new ATOM 0 HG21 VAL A 38 -3.976 -0.346 1.052 1.00 51.43 H new ATOM 0 HG22 VAL A 38 -2.679 -0.746 2.203 1.00 51.43 H new ATOM 0 HG23 VAL A 38 -3.316 -1.998 1.110 1.00 51.43 H new ATOM 548 N LYS A 39 -4.595 -3.225 5.878 1.00 41.41 N ATOM 549 CA LYS A 39 -5.366 -3.794 6.955 1.00 53.44 C ATOM 550 C LYS A 39 -6.432 -2.834 7.422 1.00 2.14 C ATOM 551 O LYS A 39 -7.538 -3.256 7.764 1.00 72.40 O ATOM 552 CB LYS A 39 -4.457 -4.201 8.142 1.00 5.21 C ATOM 553 CG LYS A 39 -5.048 -5.282 9.072 1.00 45.14 C ATOM 554 CD LYS A 39 -5.854 -4.727 10.217 1.00 33.15 C ATOM 555 CE LYS A 39 -6.403 -5.811 11.154 1.00 3.04 C ATOM 556 NZ LYS A 39 -7.138 -5.188 12.262 1.00 15.24 N ATOM 0 H LYS A 39 -3.654 -2.943 6.154 1.00 41.41 H new ATOM 0 HA LYS A 39 -5.851 -4.692 6.571 1.00 53.44 H new ATOM 0 HB2 LYS A 39 -3.508 -4.562 7.747 1.00 5.21 H new ATOM 0 HB3 LYS A 39 -4.238 -3.313 8.735 1.00 5.21 H new ATOM 0 HG2 LYS A 39 -5.680 -5.947 8.484 1.00 45.14 H new ATOM 0 HG3 LYS A 39 -4.235 -5.887 9.473 1.00 45.14 H new ATOM 0 HD2 LYS A 39 -5.232 -4.041 10.792 1.00 33.15 H new ATOM 0 HD3 LYS A 39 -6.685 -4.146 9.819 1.00 33.15 H new ATOM 0 HE2 LYS A 39 -7.061 -6.482 10.602 1.00 3.04 H new ATOM 0 HE3 LYS A 39 -5.584 -6.416 11.544 1.00 3.04 H new ATOM 0 HZ1 LYS A 39 -7.507 -5.928 12.893 1.00 15.24 H new ATOM 0 HZ2 LYS A 39 -6.499 -4.565 12.796 1.00 15.24 H new ATOM 0 HZ3 LYS A 39 -7.929 -4.629 11.883 1.00 15.24 H new ATOM 570 N ALA A 40 -6.134 -1.527 7.445 1.00 54.42 N ATOM 571 CA ALA A 40 -7.097 -0.585 7.967 1.00 40.11 C ATOM 572 C ALA A 40 -6.899 0.666 7.217 1.00 51.12 C ATOM 573 O ALA A 40 -5.764 1.035 6.932 1.00 74.23 O ATOM 574 CB ALA A 40 -6.898 -0.248 9.465 1.00 63.31 C ATOM 0 H ALA A 40 -5.258 -1.120 7.116 1.00 54.42 H new ATOM 0 HA ALA A 40 -8.088 -1.028 7.864 1.00 40.11 H new ATOM 0 HB1 ALA A 40 -7.659 0.465 9.782 1.00 63.31 H new ATOM 0 HB2 ALA A 40 -6.985 -1.159 10.057 1.00 63.31 H new ATOM 0 HB3 ALA A 40 -5.910 0.187 9.612 1.00 63.31 H new ATOM 580 N VAL A 41 -8.002 1.361 6.868 1.00 10.15 N ATOM 581 CA VAL A 41 -7.911 2.650 6.268 1.00 62.33 C ATOM 582 C VAL A 41 -8.819 3.491 7.114 1.00 74.53 C ATOM 583 O VAL A 41 -9.934 3.072 7.414 1.00 72.03 O ATOM 584 CB VAL A 41 -8.448 2.686 4.825 1.00 41.30 C ATOM 585 CG1 VAL A 41 -8.134 4.057 4.189 1.00 61.20 C ATOM 586 CG2 VAL A 41 -7.820 1.527 4.040 1.00 62.41 C ATOM 0 H VAL A 41 -8.955 1.025 7.004 1.00 10.15 H new ATOM 0 HA VAL A 41 -6.872 2.977 6.219 1.00 62.33 H new ATOM 0 HB VAL A 41 -9.531 2.563 4.810 1.00 41.30 H new ATOM 0 HG11 VAL A 41 -8.515 4.080 3.168 1.00 61.20 H new ATOM 0 HG12 VAL A 41 -8.610 4.846 4.772 1.00 61.20 H new ATOM 0 HG13 VAL A 41 -7.055 4.214 4.178 1.00 61.20 H new ATOM 0 HG21 VAL A 41 -8.191 1.539 3.015 1.00 62.41 H new ATOM 0 HG22 VAL A 41 -6.736 1.636 4.035 1.00 62.41 H new ATOM 0 HG23 VAL A 41 -8.087 0.581 4.512 1.00 62.41 H new ATOM 596 N ILE A 42 -8.365 4.682 7.531 1.00 10.44 N ATOM 597 CA ILE A 42 -9.226 5.599 8.268 1.00 52.34 C ATOM 598 C ILE A 42 -10.167 6.224 7.252 1.00 32.31 C ATOM 599 O ILE A 42 -9.865 6.274 6.053 1.00 31.21 O ATOM 600 CB ILE A 42 -8.474 6.693 9.064 1.00 2.32 C ATOM 601 CG1 ILE A 42 -7.847 7.804 8.169 1.00 64.32 C ATOM 602 CG2 ILE A 42 -7.460 5.988 9.979 1.00 64.41 C ATOM 603 CD1 ILE A 42 -6.884 7.302 7.116 1.00 75.41 C ATOM 0 H ILE A 42 -7.418 5.024 7.370 1.00 10.44 H new ATOM 0 HA ILE A 42 -9.756 5.032 9.033 1.00 52.34 H new ATOM 0 HB ILE A 42 -9.185 7.251 9.673 1.00 2.32 H new ATOM 0 HG12 ILE A 42 -8.651 8.350 7.675 1.00 64.32 H new ATOM 0 HG13 ILE A 42 -7.325 8.515 8.809 1.00 64.32 H new ATOM 0 HG21 ILE A 42 -6.911 6.733 10.556 1.00 64.41 H new ATOM 0 HG22 ILE A 42 -7.987 5.319 10.659 1.00 64.41 H new ATOM 0 HG23 ILE A 42 -6.761 5.412 9.372 1.00 64.41 H new ATOM 0 HD11 ILE A 42 -6.499 8.146 6.543 1.00 75.41 H new ATOM 0 HD12 ILE A 42 -6.056 6.783 7.598 1.00 75.41 H new ATOM 0 HD13 ILE A 42 -7.402 6.615 6.447 1.00 75.41 H new ATOM 615 N PRO A 43 -11.348 6.664 7.685 1.00 45.24 N ATOM 616 CA PRO A 43 -12.258 7.344 6.799 1.00 51.13 C ATOM 617 C PRO A 43 -11.756 8.718 6.635 1.00 50.01 C ATOM 618 O PRO A 43 -10.870 9.136 7.412 1.00 43.44 O ATOM 619 CB PRO A 43 -13.554 7.413 7.590 1.00 10.34 C ATOM 620 CG PRO A 43 -13.061 7.573 9.018 1.00 4.22 C ATOM 621 CD PRO A 43 -11.865 6.589 9.063 1.00 25.34 C ATOM 0 HA PRO A 43 -12.372 6.863 5.827 1.00 51.13 H new ATOM 0 HB2 PRO A 43 -14.175 8.253 7.279 1.00 10.34 H new ATOM 0 HB3 PRO A 43 -14.153 6.511 7.466 1.00 10.34 H new ATOM 0 HG2 PRO A 43 -12.754 8.597 9.230 1.00 4.22 H new ATOM 0 HG3 PRO A 43 -13.830 7.313 9.746 1.00 4.22 H new ATOM 0 HD2 PRO A 43 -11.117 6.891 9.796 1.00 25.34 H new ATOM 0 HD3 PRO A 43 -12.179 5.579 9.326 1.00 25.34 H new ATOM 629 N GLN A 44 -12.377 9.466 5.721 1.00 14.13 N ATOM 630 CA GLN A 44 -12.237 10.895 5.676 1.00 54.24 C ATOM 631 C GLN A 44 -10.767 11.259 5.631 1.00 23.15 C ATOM 632 O GLN A 44 -10.254 11.997 6.475 1.00 41.34 O ATOM 633 CB GLN A 44 -12.949 11.538 6.879 1.00 73.21 C ATOM 634 CG GLN A 44 -14.473 11.389 6.786 1.00 64.10 C ATOM 635 CD GLN A 44 -15.076 11.903 8.072 1.00 51.11 C ATOM 636 OE1 GLN A 44 -15.513 11.117 8.921 1.00 3.51 O ATOM 637 NE2 GLN A 44 -15.098 13.230 8.240 1.00 13.14 N ATOM 0 H GLN A 44 -12.987 9.084 4.998 1.00 14.13 H new ATOM 0 HA GLN A 44 -12.709 11.283 4.773 1.00 54.24 H new ATOM 0 HB2 GLN A 44 -12.594 11.076 7.800 1.00 73.21 H new ATOM 0 HB3 GLN A 44 -12.690 12.595 6.932 1.00 73.21 H new ATOM 0 HG2 GLN A 44 -14.859 11.950 5.934 1.00 64.10 H new ATOM 0 HG3 GLN A 44 -14.744 10.345 6.629 1.00 64.10 H new ATOM 0 HE21 GLN A 44 -14.727 13.842 7.514 1.00 13.14 H new ATOM 0 HE22 GLN A 44 -15.486 13.630 9.095 1.00 13.14 H new ATOM 646 N GLY A 45 -10.074 10.708 4.636 1.00 73.41 N ATOM 647 CA GLY A 45 -8.662 10.887 4.502 1.00 13.40 C ATOM 648 C GLY A 45 -8.400 10.607 3.077 1.00 63.04 C ATOM 649 O GLY A 45 -9.316 10.239 2.348 1.00 45.11 O ATOM 0 H GLY A 45 -10.492 10.128 3.909 1.00 73.41 H new ATOM 0 HA2 GLY A 45 -8.361 11.899 4.772 1.00 13.40 H new ATOM 0 HA3 GLY A 45 -8.110 10.207 5.150 1.00 13.40 H new ATOM 653 N ALA A 46 -7.136 10.774 2.636 1.00 63.52 N ATOM 654 CA ALA A 46 -6.818 10.765 1.207 1.00 74.43 C ATOM 655 C ALA A 46 -7.154 9.420 0.619 1.00 34.23 C ATOM 656 O ALA A 46 -7.884 9.340 -0.339 1.00 1.44 O ATOM 657 CB ALA A 46 -5.338 11.059 0.912 1.00 43.30 C ATOM 0 H ALA A 46 -6.332 10.915 3.247 1.00 63.52 H new ATOM 0 HA ALA A 46 -7.414 11.559 0.758 1.00 74.43 H new ATOM 0 HB1 ALA A 46 -5.170 11.037 -0.165 1.00 43.30 H new ATOM 0 HB2 ALA A 46 -5.078 12.044 1.300 1.00 43.30 H new ATOM 0 HB3 ALA A 46 -4.715 10.304 1.392 1.00 43.30 H new ATOM 663 N ALA A 47 -6.621 8.327 1.225 1.00 52.51 N ATOM 664 CA ALA A 47 -6.803 6.970 0.672 1.00 70.23 C ATOM 665 C ALA A 47 -8.276 6.673 0.420 1.00 1.23 C ATOM 666 O ALA A 47 -8.644 6.262 -0.682 1.00 32.21 O ATOM 667 CB ALA A 47 -6.251 5.875 1.601 1.00 53.14 C ATOM 0 H ALA A 47 -6.071 8.363 2.083 1.00 52.51 H new ATOM 0 HA ALA A 47 -6.245 6.956 -0.264 1.00 70.23 H new ATOM 0 HB1 ALA A 47 -6.411 4.897 1.146 1.00 53.14 H new ATOM 0 HB2 ALA A 47 -5.184 6.033 1.756 1.00 53.14 H new ATOM 0 HB3 ALA A 47 -6.767 5.918 2.560 1.00 53.14 H new ATOM 673 N GLU A 48 -9.144 6.917 1.418 1.00 21.43 N ATOM 674 CA GLU A 48 -10.587 6.700 1.249 1.00 23.55 C ATOM 675 C GLU A 48 -11.135 7.609 0.181 1.00 13.41 C ATOM 676 O GLU A 48 -11.800 7.147 -0.742 1.00 45.24 O ATOM 677 CB GLU A 48 -11.417 6.983 2.530 1.00 44.33 C ATOM 678 CG GLU A 48 -12.933 7.161 2.244 1.00 64.43 C ATOM 679 CD GLU A 48 -13.654 7.203 3.532 1.00 43.11 C ATOM 680 OE1 GLU A 48 -13.824 6.125 4.139 1.00 50.35 O ATOM 681 OE2 GLU A 48 -14.040 8.311 3.955 1.00 32.51 O ATOM 0 H GLU A 48 -8.873 7.261 2.339 1.00 21.43 H new ATOM 0 HA GLU A 48 -10.682 5.646 0.988 1.00 23.55 H new ATOM 0 HB2 GLU A 48 -11.280 6.162 3.234 1.00 44.33 H new ATOM 0 HB3 GLU A 48 -11.036 7.883 3.012 1.00 44.33 H new ATOM 0 HG2 GLU A 48 -13.107 8.079 1.683 1.00 64.43 H new ATOM 0 HG3 GLU A 48 -13.301 6.338 1.631 1.00 64.43 H new ATOM 688 N SER A 49 -10.927 8.930 0.336 1.00 73.13 N ATOM 689 CA SER A 49 -11.617 9.917 -0.480 1.00 34.02 C ATOM 690 C SER A 49 -11.184 9.793 -1.916 1.00 31.42 C ATOM 691 O SER A 49 -11.959 10.086 -2.838 1.00 5.31 O ATOM 692 CB SER A 49 -11.318 11.343 -0.004 1.00 3.15 C ATOM 693 OG SER A 49 -11.693 11.475 1.377 1.00 15.22 O ATOM 0 H SER A 49 -10.285 9.327 1.022 1.00 73.13 H new ATOM 0 HA SER A 49 -12.686 9.728 -0.388 1.00 34.02 H new ATOM 0 HB2 SER A 49 -10.258 11.564 -0.127 1.00 3.15 H new ATOM 0 HB3 SER A 49 -11.866 12.063 -0.611 1.00 3.15 H new ATOM 0 HG SER A 49 -10.997 11.082 1.944 1.00 15.22 H new ATOM 699 N ASP A 50 -9.944 9.336 -2.141 1.00 20.20 N ATOM 700 CA ASP A 50 -9.418 9.190 -3.483 1.00 43.12 C ATOM 701 C ASP A 50 -10.039 7.934 -4.048 1.00 34.35 C ATOM 702 O ASP A 50 -10.454 7.888 -5.206 1.00 34.33 O ATOM 703 CB ASP A 50 -7.879 9.038 -3.495 1.00 3.31 C ATOM 704 CG ASP A 50 -7.359 9.326 -4.885 1.00 53.54 C ATOM 705 OD1 ASP A 50 -7.648 8.565 -5.793 1.00 65.02 O ATOM 706 OD2 ASP A 50 -6.663 10.361 -5.065 1.00 43.45 O ATOM 0 H ASP A 50 -9.295 9.064 -1.403 1.00 20.20 H new ATOM 0 HA ASP A 50 -9.655 10.079 -4.067 1.00 43.12 H new ATOM 0 HB2 ASP A 50 -7.429 9.723 -2.777 1.00 3.31 H new ATOM 0 HB3 ASP A 50 -7.599 8.029 -3.192 1.00 3.31 H new ATOM 711 N GLY A 51 -10.189 6.902 -3.188 1.00 14.14 N ATOM 712 CA GLY A 51 -10.943 5.710 -3.550 1.00 14.23 C ATOM 713 C GLY A 51 -10.089 4.796 -4.354 1.00 60.54 C ATOM 714 O GLY A 51 -10.590 3.875 -4.994 1.00 74.32 O ATOM 0 H GLY A 51 -9.796 6.883 -2.247 1.00 14.14 H new ATOM 0 HA2 GLY A 51 -11.289 5.201 -2.651 1.00 14.23 H new ATOM 0 HA3 GLY A 51 -11.829 5.989 -4.120 1.00 14.23 H new ATOM 718 N ARG A 52 -8.768 5.020 -4.347 1.00 43.01 N ATOM 719 CA ARG A 52 -7.870 4.205 -5.128 1.00 72.12 C ATOM 720 C ARG A 52 -7.234 3.236 -4.192 1.00 4.44 C ATOM 721 O ARG A 52 -6.318 2.523 -4.566 1.00 35.22 O ATOM 722 CB ARG A 52 -6.783 5.022 -5.856 1.00 4.21 C ATOM 723 CG ARG A 52 -7.336 5.714 -7.114 1.00 24.25 C ATOM 724 CD ARG A 52 -6.316 6.614 -7.841 1.00 64.44 C ATOM 725 NE ARG A 52 -6.875 6.968 -9.196 1.00 11.23 N ATOM 726 CZ ARG A 52 -7.847 7.936 -9.383 1.00 42.51 C ATOM 727 NH1 ARG A 52 -8.371 8.624 -8.325 1.00 74.35 N ATOM 728 NH2 ARG A 52 -8.297 8.202 -10.641 1.00 43.03 N ATOM 0 H ARG A 52 -8.314 5.757 -3.808 1.00 43.01 H new ATOM 0 HA ARG A 52 -8.441 3.706 -5.911 1.00 72.12 H new ATOM 0 HB2 ARG A 52 -6.376 5.772 -5.178 1.00 4.21 H new ATOM 0 HB3 ARG A 52 -5.960 4.364 -6.135 1.00 4.21 H new ATOM 0 HG2 ARG A 52 -7.691 4.952 -7.808 1.00 24.25 H new ATOM 0 HG3 ARG A 52 -8.200 6.316 -6.833 1.00 24.25 H new ATOM 0 HD2 ARG A 52 -6.126 7.517 -7.261 1.00 64.44 H new ATOM 0 HD3 ARG A 52 -5.362 6.097 -7.947 1.00 64.44 H new ATOM 0 HE ARG A 52 -6.520 6.471 -10.013 1.00 11.23 H new ATOM 0 HH11 ARG A 52 -8.047 8.428 -7.378 1.00 74.35 H new ATOM 0 HH12 ARG A 52 -9.086 9.334 -8.482 1.00 74.35 H new ATOM 0 HH21 ARG A 52 -7.918 7.689 -11.437 1.00 43.03 H new ATOM 0 HH22 ARG A 52 -9.013 8.914 -10.787 1.00 43.03 H new ATOM 742 N ILE A 53 -7.713 3.206 -2.940 1.00 12.23 N ATOM 743 CA ILE A 53 -7.183 2.334 -1.946 1.00 33.35 C ATOM 744 C ILE A 53 -8.383 1.889 -1.190 1.00 10.04 C ATOM 745 O ILE A 53 -9.346 2.647 -1.025 1.00 43.12 O ATOM 746 CB ILE A 53 -6.180 3.020 -1.010 1.00 62.25 C ATOM 747 CG1 ILE A 53 -4.874 3.253 -1.775 1.00 65.42 C ATOM 748 CG2 ILE A 53 -5.932 2.167 0.257 1.00 75.20 C ATOM 749 CD1 ILE A 53 -3.921 4.169 -1.066 1.00 50.22 C ATOM 0 H ILE A 53 -8.479 3.795 -2.613 1.00 12.23 H new ATOM 0 HA ILE A 53 -6.619 1.518 -2.398 1.00 33.35 H new ATOM 0 HB ILE A 53 -6.586 3.977 -0.681 1.00 62.25 H new ATOM 0 HG12 ILE A 53 -4.385 2.294 -1.944 1.00 65.42 H new ATOM 0 HG13 ILE A 53 -5.106 3.670 -2.755 1.00 65.42 H new ATOM 0 HG21 ILE A 53 -5.217 2.676 0.904 1.00 75.20 H new ATOM 0 HG22 ILE A 53 -6.871 2.029 0.792 1.00 75.20 H new ATOM 0 HG23 ILE A 53 -5.532 1.195 -0.031 1.00 75.20 H new ATOM 0 HD11 ILE A 53 -3.018 4.289 -1.665 1.00 50.22 H new ATOM 0 HD12 ILE A 53 -4.391 5.141 -0.920 1.00 50.22 H new ATOM 0 HD13 ILE A 53 -3.660 3.743 -0.097 1.00 50.22 H new ATOM 761 N HIS A 54 -8.358 0.637 -0.770 1.00 25.51 N ATOM 762 CA HIS A 54 -9.425 0.059 -0.034 1.00 22.33 C ATOM 763 C HIS A 54 -8.753 -0.794 0.962 1.00 65.31 C ATOM 764 O HIS A 54 -7.551 -1.043 0.865 1.00 52.22 O ATOM 765 CB HIS A 54 -10.311 -0.878 -0.894 1.00 41.03 C ATOM 766 CG HIS A 54 -10.539 -0.346 -2.273 1.00 32.11 C ATOM 767 ND1 HIS A 54 -11.471 0.615 -2.561 1.00 42.43 N ATOM 768 CD2 HIS A 54 -9.872 -0.613 -3.415 1.00 54.33 C ATOM 769 CE1 HIS A 54 -11.372 0.912 -3.851 1.00 53.11 C ATOM 770 NE2 HIS A 54 -10.405 0.178 -4.387 1.00 75.31 N ATOM 0 H HIS A 54 -7.579 0.001 -0.942 1.00 25.51 H new ATOM 0 HA HIS A 54 -10.067 0.843 0.367 1.00 22.33 H new ATOM 0 HB2 HIS A 54 -9.840 -1.859 -0.960 1.00 41.03 H new ATOM 0 HB3 HIS A 54 -11.272 -1.019 -0.399 1.00 41.03 H new ATOM 0 HD2 HIS A 54 -9.066 -1.322 -3.536 1.00 54.33 H new ATOM 0 HE1 HIS A 54 -11.979 1.633 -4.378 1.00 53.11 H new ATOM 0 HE2 HIS A 54 -10.110 0.202 -5.363 1.00 75.31 H new ATOM 779 N LYS A 55 -9.502 -1.305 1.949 1.00 33.20 N ATOM 780 CA LYS A 55 -8.990 -2.389 2.751 1.00 2.01 C ATOM 781 C LYS A 55 -8.917 -3.580 1.824 1.00 35.12 C ATOM 782 O LYS A 55 -9.829 -3.789 1.025 1.00 45.41 O ATOM 783 CB LYS A 55 -9.892 -2.762 3.945 1.00 31.12 C ATOM 784 CG LYS A 55 -10.053 -1.616 4.961 1.00 2.53 C ATOM 785 CD LYS A 55 -10.981 -1.951 6.143 1.00 60.33 C ATOM 786 CE LYS A 55 -12.445 -2.243 5.741 1.00 53.14 C ATOM 787 NZ LYS A 55 -13.038 -1.089 5.031 1.00 33.30 N ATOM 0 H LYS A 55 -10.439 -0.985 2.196 1.00 33.20 H new ATOM 0 HA LYS A 55 -8.032 -2.090 3.176 1.00 2.01 H new ATOM 0 HB2 LYS A 55 -10.875 -3.051 3.574 1.00 31.12 H new ATOM 0 HB3 LYS A 55 -9.474 -3.632 4.451 1.00 31.12 H new ATOM 0 HG2 LYS A 55 -9.070 -1.348 5.349 1.00 2.53 H new ATOM 0 HG3 LYS A 55 -10.442 -0.739 4.444 1.00 2.53 H new ATOM 0 HD2 LYS A 55 -10.581 -2.818 6.669 1.00 60.33 H new ATOM 0 HD3 LYS A 55 -10.969 -1.118 6.846 1.00 60.33 H new ATOM 0 HE2 LYS A 55 -12.482 -3.126 5.103 1.00 53.14 H new ATOM 0 HE3 LYS A 55 -13.033 -2.468 6.631 1.00 53.14 H new ATOM 0 HZ1 LYS A 55 -14.052 -1.260 4.876 1.00 33.30 H new ATOM 0 HZ2 LYS A 55 -12.915 -0.229 5.603 1.00 33.30 H new ATOM 0 HZ3 LYS A 55 -12.564 -0.965 4.114 1.00 33.30 H new ATOM 801 N GLY A 56 -7.848 -4.368 1.901 1.00 71.54 N ATOM 802 CA GLY A 56 -7.759 -5.557 1.069 1.00 73.10 C ATOM 803 C GLY A 56 -6.739 -5.328 0.001 1.00 12.12 C ATOM 804 O GLY A 56 -6.130 -6.289 -0.497 1.00 32.43 O ATOM 0 H GLY A 56 -7.050 -4.208 2.516 1.00 71.54 H new ATOM 0 HA2 GLY A 56 -7.483 -6.420 1.674 1.00 73.10 H new ATOM 0 HA3 GLY A 56 -8.729 -5.778 0.623 1.00 73.10 H new ATOM 808 N ASP A 57 -6.522 -4.041 -0.418 1.00 72.12 N ATOM 809 CA ASP A 57 -5.511 -3.736 -1.449 1.00 61.30 C ATOM 810 C ASP A 57 -4.203 -4.229 -0.988 1.00 21.45 C ATOM 811 O ASP A 57 -3.879 -4.169 0.190 1.00 14.24 O ATOM 812 CB ASP A 57 -5.342 -2.235 -1.796 1.00 4.05 C ATOM 813 CG ASP A 57 -6.523 -1.803 -2.626 1.00 51.25 C ATOM 814 OD1 ASP A 57 -7.651 -1.852 -2.117 1.00 13.00 O ATOM 815 OD2 ASP A 57 -6.323 -1.427 -3.782 1.00 54.44 O ATOM 0 H ASP A 57 -7.025 -3.229 -0.061 1.00 72.12 H new ATOM 0 HA ASP A 57 -5.870 -4.226 -2.354 1.00 61.30 H new ATOM 0 HB2 ASP A 57 -5.281 -1.640 -0.885 1.00 4.05 H new ATOM 0 HB3 ASP A 57 -4.414 -2.075 -2.345 1.00 4.05 H new ATOM 820 N ARG A 58 -3.453 -4.804 -1.922 1.00 73.25 N ATOM 821 CA ARG A 58 -2.221 -5.438 -1.608 1.00 61.15 C ATOM 822 C ARG A 58 -1.192 -4.599 -2.245 1.00 23.21 C ATOM 823 O ARG A 58 -1.323 -4.246 -3.399 1.00 1.45 O ATOM 824 CB ARG A 58 -2.164 -6.885 -2.177 1.00 64.13 C ATOM 825 CG ARG A 58 -0.842 -7.639 -1.989 1.00 30.34 C ATOM 826 CD ARG A 58 0.108 -7.551 -3.199 1.00 54.44 C ATOM 827 NE ARG A 58 1.286 -8.455 -2.905 1.00 54.45 N ATOM 828 CZ ARG A 58 1.515 -9.644 -3.607 1.00 33.24 C ATOM 829 NH1 ARG A 58 0.731 -10.004 -4.678 1.00 14.32 N ATOM 830 NH2 ARG A 58 2.538 -10.462 -3.216 1.00 42.11 N ATOM 0 H ARG A 58 -3.700 -4.832 -2.911 1.00 73.25 H new ATOM 0 HA ARG A 58 -2.082 -5.529 -0.531 1.00 61.15 H new ATOM 0 HB2 ARG A 58 -2.959 -7.467 -1.711 1.00 64.13 H new ATOM 0 HB3 ARG A 58 -2.384 -6.842 -3.244 1.00 64.13 H new ATOM 0 HG2 ARG A 58 -0.332 -7.244 -1.110 1.00 30.34 H new ATOM 0 HG3 ARG A 58 -1.059 -8.688 -1.786 1.00 30.34 H new ATOM 0 HD2 ARG A 58 -0.400 -7.864 -4.111 1.00 54.44 H new ATOM 0 HD3 ARG A 58 0.439 -6.524 -3.355 1.00 54.44 H new ATOM 0 HE ARG A 58 1.938 -8.187 -2.167 1.00 54.45 H new ATOM 0 HH11 ARG A 58 -0.035 -9.400 -4.975 1.00 14.32 H new ATOM 0 HH12 ARG A 58 0.916 -10.875 -5.175 1.00 14.32 H new ATOM 0 HH21 ARG A 58 3.123 -10.203 -2.422 1.00 42.11 H new ATOM 0 HH22 ARG A 58 2.716 -11.332 -3.719 1.00 42.11 H new ATOM 844 N VAL A 59 -0.157 -4.228 -1.481 1.00 32.41 N ATOM 845 CA VAL A 59 0.866 -3.365 -1.983 1.00 34.35 C ATOM 846 C VAL A 59 1.889 -4.273 -2.579 1.00 40.21 C ATOM 847 O VAL A 59 2.273 -5.291 -1.974 1.00 21.12 O ATOM 848 CB VAL A 59 1.506 -2.477 -0.916 1.00 40.04 C ATOM 849 CG1 VAL A 59 2.609 -1.610 -1.564 1.00 43.31 C ATOM 850 CG2 VAL A 59 0.377 -1.625 -0.283 1.00 73.44 C ATOM 0 H VAL A 59 -0.025 -4.524 -0.514 1.00 32.41 H new ATOM 0 HA VAL A 59 0.436 -2.667 -2.701 1.00 34.35 H new ATOM 0 HB VAL A 59 1.985 -3.063 -0.132 1.00 40.04 H new ATOM 0 HG11 VAL A 59 3.067 -0.976 -0.805 1.00 43.31 H new ATOM 0 HG12 VAL A 59 3.369 -2.256 -2.003 1.00 43.31 H new ATOM 0 HG13 VAL A 59 2.171 -0.985 -2.342 1.00 43.31 H new ATOM 0 HG21 VAL A 59 0.798 -0.977 0.486 1.00 73.44 H new ATOM 0 HG22 VAL A 59 -0.094 -1.015 -1.054 1.00 73.44 H new ATOM 0 HG23 VAL A 59 -0.368 -2.283 0.165 1.00 73.44 H new ATOM 860 N LEU A 60 2.286 -3.962 -3.808 1.00 1.23 N ATOM 861 CA LEU A 60 3.210 -4.774 -4.541 1.00 31.42 C ATOM 862 C LEU A 60 4.538 -4.151 -4.370 1.00 25.22 C ATOM 863 O LEU A 60 5.455 -4.787 -3.880 1.00 3.34 O ATOM 864 CB LEU A 60 2.889 -4.793 -6.043 1.00 54.03 C ATOM 865 CG LEU A 60 1.598 -5.554 -6.369 1.00 62.24 C ATOM 866 CD1 LEU A 60 0.984 -5.096 -7.676 1.00 23.14 C ATOM 867 CD2 LEU A 60 1.782 -7.082 -6.322 1.00 73.35 C ATOM 0 H LEU A 60 1.967 -3.135 -4.312 1.00 1.23 H new ATOM 0 HA LEU A 60 3.163 -5.799 -4.173 1.00 31.42 H new ATOM 0 HB2 LEU A 60 2.801 -3.768 -6.403 1.00 54.03 H new ATOM 0 HB3 LEU A 60 3.720 -5.250 -6.581 1.00 54.03 H new ATOM 0 HG LEU A 60 0.889 -5.307 -5.579 1.00 62.24 H new ATOM 0 HD11 LEU A 60 0.072 -5.661 -7.867 1.00 23.14 H new ATOM 0 HD12 LEU A 60 0.746 -4.034 -7.614 1.00 23.14 H new ATOM 0 HD13 LEU A 60 1.691 -5.263 -8.488 1.00 23.14 H new ATOM 0 HD21 LEU A 60 0.837 -7.570 -6.561 1.00 73.35 H new ATOM 0 HD22 LEU A 60 2.538 -7.380 -7.049 1.00 73.35 H new ATOM 0 HD23 LEU A 60 2.102 -7.379 -5.323 1.00 73.35 H new ATOM 879 N ALA A 61 4.681 -2.872 -4.771 1.00 32.04 N ATOM 880 CA ALA A 61 5.940 -2.201 -4.632 1.00 71.43 C ATOM 881 C ALA A 61 5.642 -0.855 -4.099 1.00 63.52 C ATOM 882 O ALA A 61 4.572 -0.319 -4.348 1.00 60.12 O ATOM 883 CB ALA A 61 6.666 -1.994 -5.984 1.00 2.45 C ATOM 0 H ALA A 61 3.938 -2.310 -5.185 1.00 32.04 H new ATOM 0 HA ALA A 61 6.582 -2.806 -3.992 1.00 71.43 H new ATOM 0 HB1 ALA A 61 7.613 -1.481 -5.814 1.00 2.45 H new ATOM 0 HB2 ALA A 61 6.856 -2.962 -6.447 1.00 2.45 H new ATOM 0 HB3 ALA A 61 6.041 -1.393 -6.644 1.00 2.45 H new ATOM 889 N VAL A 62 6.600 -0.273 -3.350 1.00 11.23 N ATOM 890 CA VAL A 62 6.455 1.066 -2.857 1.00 53.30 C ATOM 891 C VAL A 62 7.555 1.845 -3.492 1.00 31.11 C ATOM 892 O VAL A 62 8.730 1.554 -3.295 1.00 33.33 O ATOM 893 CB VAL A 62 6.578 1.200 -1.345 1.00 61.30 C ATOM 894 CG1 VAL A 62 6.376 2.686 -0.950 1.00 45.51 C ATOM 895 CG2 VAL A 62 5.543 0.265 -0.705 1.00 30.44 C ATOM 0 H VAL A 62 7.474 -0.728 -3.086 1.00 11.23 H new ATOM 0 HA VAL A 62 5.452 1.418 -3.100 1.00 53.30 H new ATOM 0 HB VAL A 62 7.566 0.909 -0.987 1.00 61.30 H new ATOM 0 HG11 VAL A 62 6.463 2.790 0.132 1.00 45.51 H new ATOM 0 HG12 VAL A 62 7.136 3.298 -1.435 1.00 45.51 H new ATOM 0 HG13 VAL A 62 5.387 3.016 -1.268 1.00 45.51 H new ATOM 0 HG21 VAL A 62 5.608 0.339 0.381 1.00 30.44 H new ATOM 0 HG22 VAL A 62 4.543 0.553 -1.030 1.00 30.44 H new ATOM 0 HG23 VAL A 62 5.742 -0.762 -1.011 1.00 30.44 H new ATOM 905 N ASN A 63 7.161 2.846 -4.291 1.00 33.30 N ATOM 906 CA ASN A 63 8.076 3.747 -4.996 1.00 53.33 C ATOM 907 C ASN A 63 9.151 2.962 -5.742 1.00 44.32 C ATOM 908 O ASN A 63 10.315 3.357 -5.789 1.00 34.13 O ATOM 909 CB ASN A 63 8.726 4.848 -4.108 1.00 35.41 C ATOM 910 CG ASN A 63 9.288 5.949 -5.025 1.00 53.31 C ATOM 911 OD1 ASN A 63 8.635 6.361 -6.001 1.00 33.43 O ATOM 912 ND2 ASN A 63 10.496 6.448 -4.720 1.00 25.43 N ATOM 0 H ASN A 63 6.178 3.054 -4.467 1.00 33.30 H new ATOM 0 HA ASN A 63 7.447 4.281 -5.708 1.00 53.33 H new ATOM 0 HB2 ASN A 63 7.988 5.266 -3.423 1.00 35.41 H new ATOM 0 HB3 ASN A 63 9.522 4.421 -3.498 1.00 35.41 H new ATOM 0 HD21 ASN A 63 10.903 7.186 -5.295 1.00 25.43 H new ATOM 0 HD22 ASN A 63 11.007 6.090 -3.913 1.00 25.43 H new ATOM 919 N GLY A 64 8.748 1.843 -6.363 1.00 73.30 N ATOM 920 CA GLY A 64 9.608 1.130 -7.263 1.00 23.31 C ATOM 921 C GLY A 64 10.054 -0.102 -6.592 1.00 1.34 C ATOM 922 O GLY A 64 10.289 -1.120 -7.244 1.00 53.41 O ATOM 0 H GLY A 64 7.824 1.427 -6.244 1.00 73.30 H new ATOM 0 HA2 GLY A 64 9.079 0.891 -8.185 1.00 23.31 H new ATOM 0 HA3 GLY A 64 10.465 1.745 -7.538 1.00 23.31 H new ATOM 926 N VAL A 65 10.215 -0.051 -5.265 1.00 72.42 N ATOM 927 CA VAL A 65 10.832 -1.090 -4.553 1.00 23.13 C ATOM 928 C VAL A 65 9.812 -2.172 -4.298 1.00 20.12 C ATOM 929 O VAL A 65 8.823 -1.940 -3.608 1.00 1.22 O ATOM 930 CB VAL A 65 11.329 -0.586 -3.221 1.00 12.50 C ATOM 931 CG1 VAL A 65 12.082 -1.695 -2.552 1.00 40.11 C ATOM 932 CG2 VAL A 65 12.189 0.669 -3.462 1.00 54.31 C ATOM 0 H VAL A 65 9.908 0.730 -4.685 1.00 72.42 H new ATOM 0 HA VAL A 65 11.671 -1.472 -5.134 1.00 23.13 H new ATOM 0 HB VAL A 65 10.513 -0.296 -2.559 1.00 12.50 H new ATOM 0 HG11 VAL A 65 12.451 -1.353 -1.585 1.00 40.11 H new ATOM 0 HG12 VAL A 65 11.420 -2.548 -2.406 1.00 40.11 H new ATOM 0 HG13 VAL A 65 12.924 -1.992 -3.177 1.00 40.11 H new ATOM 0 HG21 VAL A 65 12.557 1.047 -2.508 1.00 54.31 H new ATOM 0 HG22 VAL A 65 13.034 0.414 -4.101 1.00 54.31 H new ATOM 0 HG23 VAL A 65 11.585 1.436 -3.948 1.00 54.31 H new ATOM 942 N SER A 66 10.057 -3.387 -4.865 1.00 41.13 N ATOM 943 CA SER A 66 9.190 -4.534 -4.632 1.00 64.10 C ATOM 944 C SER A 66 9.103 -4.772 -3.135 1.00 13.41 C ATOM 945 O SER A 66 10.112 -4.837 -2.426 1.00 75.34 O ATOM 946 CB SER A 66 9.628 -5.846 -5.337 1.00 72.00 C ATOM 947 OG SER A 66 8.588 -6.834 -5.241 1.00 72.13 O ATOM 0 H SER A 66 10.848 -3.577 -5.480 1.00 41.13 H new ATOM 0 HA SER A 66 8.224 -4.282 -5.070 1.00 64.10 H new ATOM 0 HB2 SER A 66 9.854 -5.646 -6.384 1.00 72.00 H new ATOM 0 HB3 SER A 66 10.542 -6.225 -4.880 1.00 72.00 H new ATOM 0 HG SER A 66 8.875 -7.656 -5.691 1.00 72.13 H new ATOM 953 N LEU A 67 7.866 -4.821 -2.644 1.00 55.10 N ATOM 954 CA LEU A 67 7.581 -4.818 -1.241 1.00 31.50 C ATOM 955 C LEU A 67 7.228 -6.223 -0.884 1.00 42.35 C ATOM 956 O LEU A 67 7.152 -6.589 0.263 1.00 12.12 O ATOM 957 CB LEU A 67 6.351 -3.908 -0.967 1.00 23.10 C ATOM 958 CG LEU A 67 6.277 -3.250 0.413 1.00 43.31 C ATOM 959 CD1 LEU A 67 5.659 -4.147 1.498 1.00 31.43 C ATOM 960 CD2 LEU A 67 7.606 -2.574 0.828 1.00 14.34 C ATOM 0 H LEU A 67 7.033 -4.864 -3.232 1.00 55.10 H new ATOM 0 HA LEU A 67 8.429 -4.451 -0.663 1.00 31.50 H new ATOM 0 HB2 LEU A 67 6.335 -3.121 -1.721 1.00 23.10 H new ATOM 0 HB3 LEU A 67 5.449 -4.503 -1.109 1.00 23.10 H new ATOM 0 HG LEU A 67 5.562 -2.434 0.311 1.00 43.31 H new ATOM 0 HD11 LEU A 67 5.641 -3.611 2.447 1.00 31.43 H new ATOM 0 HD12 LEU A 67 4.641 -4.414 1.213 1.00 31.43 H new ATOM 0 HD13 LEU A 67 6.256 -5.053 1.604 1.00 31.43 H new ATOM 0 HD21 LEU A 67 7.493 -2.125 1.815 1.00 14.34 H new ATOM 0 HD22 LEU A 67 8.400 -3.320 0.858 1.00 14.34 H new ATOM 0 HD23 LEU A 67 7.862 -1.800 0.104 1.00 14.34 H new ATOM 972 N GLU A 68 7.009 -7.055 -1.907 1.00 22.31 N ATOM 973 CA GLU A 68 6.701 -8.450 -1.703 1.00 21.32 C ATOM 974 C GLU A 68 7.860 -9.102 -0.951 1.00 74.03 C ATOM 975 O GLU A 68 9.015 -9.012 -1.380 1.00 4.31 O ATOM 976 CB GLU A 68 6.512 -9.202 -3.035 1.00 13.34 C ATOM 977 CG GLU A 68 5.403 -8.617 -3.929 1.00 34.41 C ATOM 978 CD GLU A 68 5.297 -9.488 -5.168 1.00 32.33 C ATOM 979 OE1 GLU A 68 4.982 -10.688 -5.035 1.00 72.12 O ATOM 980 OE2 GLU A 68 5.548 -8.988 -6.278 1.00 10.34 O ATOM 0 H GLU A 68 7.043 -6.772 -2.886 1.00 22.31 H new ATOM 0 HA GLU A 68 5.769 -8.507 -1.140 1.00 21.32 H new ATOM 0 HB2 GLU A 68 7.453 -9.189 -3.585 1.00 13.34 H new ATOM 0 HB3 GLU A 68 6.281 -10.246 -2.822 1.00 13.34 H new ATOM 0 HG2 GLU A 68 4.453 -8.596 -3.395 1.00 34.41 H new ATOM 0 HG3 GLU A 68 5.637 -7.589 -4.204 1.00 34.41 H new ATOM 987 N GLY A 69 7.556 -9.737 0.209 1.00 34.24 N ATOM 988 CA GLY A 69 8.583 -10.414 1.003 1.00 2.22 C ATOM 989 C GLY A 69 9.074 -9.471 2.062 1.00 62.15 C ATOM 990 O GLY A 69 9.710 -9.893 3.036 1.00 42.44 O ATOM 0 H GLY A 69 6.616 -9.788 0.602 1.00 34.24 H new ATOM 0 HA2 GLY A 69 8.174 -11.315 1.460 1.00 2.22 H new ATOM 0 HA3 GLY A 69 9.409 -10.727 0.364 1.00 2.22 H new ATOM 994 N ALA A 70 8.792 -8.161 1.901 1.00 1.41 N ATOM 995 CA ALA A 70 9.254 -7.176 2.849 1.00 22.51 C ATOM 996 C ALA A 70 8.345 -7.252 4.027 1.00 0.33 C ATOM 997 O ALA A 70 7.220 -7.710 3.914 1.00 2.20 O ATOM 998 CB ALA A 70 9.235 -5.732 2.311 1.00 44.43 C ATOM 0 H ALA A 70 8.250 -7.782 1.124 1.00 1.41 H new ATOM 0 HA ALA A 70 10.294 -7.400 3.087 1.00 22.51 H new ATOM 0 HB1 ALA A 70 9.596 -5.052 3.082 1.00 44.43 H new ATOM 0 HB2 ALA A 70 9.879 -5.662 1.435 1.00 44.43 H new ATOM 0 HB3 ALA A 70 8.216 -5.460 2.035 1.00 44.43 H new ATOM 1004 N THR A 71 8.848 -6.859 5.198 1.00 12.02 N ATOM 1005 CA THR A 71 8.117 -7.056 6.412 1.00 45.33 C ATOM 1006 C THR A 71 7.167 -5.885 6.600 1.00 75.35 C ATOM 1007 O THR A 71 7.124 -4.967 5.780 1.00 12.45 O ATOM 1008 CB THR A 71 9.031 -7.200 7.627 1.00 53.42 C ATOM 1009 OG1 THR A 71 9.754 -5.983 7.874 1.00 32.34 O ATOM 1010 CG2 THR A 71 10.048 -8.324 7.333 1.00 41.51 C ATOM 0 H THR A 71 9.755 -6.407 5.313 1.00 12.02 H new ATOM 0 HA THR A 71 7.561 -7.990 6.331 1.00 45.33 H new ATOM 0 HB THR A 71 8.425 -7.430 8.503 1.00 53.42 H new ATOM 0 HG1 THR A 71 10.331 -6.099 8.657 1.00 32.34 H new ATOM 0 HG21 THR A 71 10.713 -8.446 8.188 1.00 41.51 H new ATOM 0 HG22 THR A 71 9.516 -9.258 7.151 1.00 41.51 H new ATOM 0 HG23 THR A 71 10.634 -8.063 6.452 1.00 41.51 H new ATOM 1018 N HIS A 72 6.379 -5.914 7.704 1.00 35.44 N ATOM 1019 CA HIS A 72 5.470 -4.841 8.000 1.00 23.13 C ATOM 1020 C HIS A 72 6.275 -3.617 8.370 1.00 71.23 C ATOM 1021 O HIS A 72 5.985 -2.530 7.898 1.00 62.41 O ATOM 1022 CB HIS A 72 4.380 -5.161 9.065 1.00 64.34 C ATOM 1023 CG HIS A 72 4.856 -5.402 10.479 1.00 62.41 C ATOM 1024 ND1 HIS A 72 5.051 -4.383 11.367 1.00 74.11 N ATOM 1025 CD2 HIS A 72 5.065 -6.557 11.151 1.00 55.34 C ATOM 1026 CE1 HIS A 72 5.381 -4.909 12.539 1.00 31.20 C ATOM 1027 NE2 HIS A 72 5.390 -6.225 12.432 1.00 40.53 N ATOM 0 H HIS A 72 6.373 -6.675 8.384 1.00 35.44 H new ATOM 0 HA HIS A 72 4.888 -4.663 7.096 1.00 23.13 H new ATOM 0 HB2 HIS A 72 3.670 -4.334 9.082 1.00 64.34 H new ATOM 0 HB3 HIS A 72 3.833 -6.045 8.736 1.00 64.34 H new ATOM 0 HD2 HIS A 72 4.989 -7.556 10.748 1.00 55.34 H new ATOM 0 HE1 HIS A 72 5.606 -4.351 13.436 1.00 31.20 H new ATOM 0 HE2 HIS A 72 5.604 -6.882 13.182 1.00 40.53 H new ATOM 1036 N LYS A 73 7.351 -3.782 9.197 1.00 51.34 N ATOM 1037 CA LYS A 73 8.269 -2.676 9.513 1.00 44.22 C ATOM 1038 C LYS A 73 8.775 -2.031 8.226 1.00 63.51 C ATOM 1039 O LYS A 73 8.619 -0.836 8.030 1.00 70.43 O ATOM 1040 CB LYS A 73 9.510 -3.157 10.325 1.00 55.31 C ATOM 1041 CG LYS A 73 10.457 -2.024 10.800 1.00 60.15 C ATOM 1042 CD LYS A 73 9.874 -1.110 11.901 1.00 64.43 C ATOM 1043 CE LYS A 73 10.115 -1.604 13.356 1.00 34.25 C ATOM 1044 NZ LYS A 73 9.493 -2.917 13.620 1.00 33.32 N ATOM 0 H LYS A 73 7.591 -4.666 9.646 1.00 51.34 H new ATOM 0 HA LYS A 73 7.705 -1.963 10.114 1.00 44.22 H new ATOM 0 HB2 LYS A 73 9.163 -3.711 11.197 1.00 55.31 H new ATOM 0 HB3 LYS A 73 10.080 -3.854 9.711 1.00 55.31 H new ATOM 0 HG2 LYS A 73 11.379 -2.472 11.170 1.00 60.15 H new ATOM 0 HG3 LYS A 73 10.724 -1.409 9.941 1.00 60.15 H new ATOM 0 HD2 LYS A 73 10.306 -0.115 11.794 1.00 64.43 H new ATOM 0 HD3 LYS A 73 8.801 -1.010 11.740 1.00 64.43 H new ATOM 0 HE2 LYS A 73 11.187 -1.670 13.540 1.00 34.25 H new ATOM 0 HE3 LYS A 73 9.716 -0.870 14.056 1.00 34.25 H new ATOM 0 HZ1 LYS A 73 9.474 -3.092 14.645 1.00 33.32 H new ATOM 0 HZ2 LYS A 73 8.521 -2.921 13.250 1.00 33.32 H new ATOM 0 HZ3 LYS A 73 10.045 -3.663 13.151 1.00 33.32 H new ATOM 1058 N GLN A 74 9.396 -2.840 7.322 1.00 2.22 N ATOM 1059 CA GLN A 74 9.898 -2.341 6.041 1.00 13.53 C ATOM 1060 C GLN A 74 8.790 -1.646 5.279 1.00 13.12 C ATOM 1061 O GLN A 74 8.987 -0.559 4.733 1.00 33.34 O ATOM 1062 CB GLN A 74 10.421 -3.478 5.172 1.00 1.55 C ATOM 1063 CG GLN A 74 11.571 -4.239 5.837 1.00 1.51 C ATOM 1064 CD GLN A 74 12.779 -3.325 5.933 1.00 14.31 C ATOM 1065 OE1 GLN A 74 13.365 -3.176 7.005 1.00 42.52 O ATOM 1066 NE2 GLN A 74 13.165 -2.700 4.815 1.00 11.05 N ATOM 0 H GLN A 74 9.553 -3.837 7.471 1.00 2.22 H new ATOM 0 HA GLN A 74 10.708 -1.646 6.261 1.00 13.53 H new ATOM 0 HB2 GLN A 74 9.607 -4.171 4.956 1.00 1.55 H new ATOM 0 HB3 GLN A 74 10.759 -3.076 4.217 1.00 1.55 H new ATOM 0 HG2 GLN A 74 11.274 -4.576 6.830 1.00 1.51 H new ATOM 0 HG3 GLN A 74 11.818 -5.129 5.258 1.00 1.51 H new ATOM 0 HE21 GLN A 74 12.654 -2.849 3.945 1.00 11.05 H new ATOM 0 HE22 GLN A 74 13.971 -2.075 4.833 1.00 11.05 H new ATOM 1075 N ALA A 75 7.603 -2.283 5.247 1.00 62.43 N ATOM 1076 CA ALA A 75 6.442 -1.760 4.537 1.00 75.23 C ATOM 1077 C ALA A 75 6.171 -0.346 4.946 1.00 11.13 C ATOM 1078 O ALA A 75 6.100 0.547 4.102 1.00 71.01 O ATOM 1079 CB ALA A 75 5.162 -2.556 4.772 1.00 72.22 C ATOM 0 H ALA A 75 7.433 -3.173 5.715 1.00 62.43 H new ATOM 0 HA ALA A 75 6.701 -1.834 3.481 1.00 75.23 H new ATOM 0 HB1 ALA A 75 4.344 -2.104 4.210 1.00 72.22 H new ATOM 0 HB2 ALA A 75 5.307 -3.584 4.439 1.00 72.22 H new ATOM 0 HB3 ALA A 75 4.919 -2.549 5.835 1.00 72.22 H new ATOM 1085 N VAL A 76 6.022 -0.096 6.262 1.00 42.32 N ATOM 1086 CA VAL A 76 5.636 1.213 6.707 1.00 54.34 C ATOM 1087 C VAL A 76 6.817 2.146 6.556 1.00 30.23 C ATOM 1088 O VAL A 76 6.639 3.289 6.193 1.00 42.25 O ATOM 1089 CB VAL A 76 5.079 1.268 8.133 1.00 24.12 C ATOM 1090 CG1 VAL A 76 3.741 0.505 8.144 1.00 23.41 C ATOM 1091 CG2 VAL A 76 6.099 0.700 9.150 1.00 0.20 C ATOM 0 H VAL A 76 6.165 -0.781 7.004 1.00 42.32 H new ATOM 0 HA VAL A 76 4.805 1.527 6.076 1.00 54.34 H new ATOM 0 HB VAL A 76 4.903 2.299 8.439 1.00 24.12 H new ATOM 0 HG11 VAL A 76 3.318 0.526 9.148 1.00 23.41 H new ATOM 0 HG12 VAL A 76 3.047 0.977 7.448 1.00 23.41 H new ATOM 0 HG13 VAL A 76 3.909 -0.529 7.843 1.00 23.41 H new ATOM 0 HG21 VAL A 76 5.678 0.751 10.154 1.00 0.20 H new ATOM 0 HG22 VAL A 76 6.321 -0.338 8.902 1.00 0.20 H new ATOM 0 HG23 VAL A 76 7.017 1.287 9.111 1.00 0.20 H new ATOM 1101 N CYS A 77 8.079 1.656 6.843 1.00 31.33 N ATOM 1102 CA CYS A 77 9.264 2.600 6.835 1.00 34.43 C ATOM 1103 C CYS A 77 9.277 3.251 5.438 1.00 11.24 C ATOM 1104 O CYS A 77 9.710 4.328 5.215 1.00 64.52 O ATOM 1105 CB CYS A 77 10.615 1.841 7.033 1.00 11.21 C ATOM 1106 SG CYS A 77 12.006 2.929 7.548 1.00 2.31 S ATOM 0 H CYS A 77 8.294 0.684 7.067 1.00 31.33 H new ATOM 0 HA CYS A 77 9.168 3.320 7.647 1.00 34.43 H new ATOM 0 HB2 CYS A 77 10.477 1.062 7.783 1.00 11.21 H new ATOM 0 HB3 CYS A 77 10.881 1.342 6.101 1.00 11.21 H new ATOM 0 HG CYS A 77 13.084 2.217 7.690 1.00 2.31 H new ATOM 1111 N THR A 78 8.980 2.401 4.432 1.00 52.51 N ATOM 1112 CA THR A 78 9.059 2.801 3.055 1.00 34.50 C ATOM 1113 C THR A 78 7.876 3.705 2.727 1.00 63.34 C ATOM 1114 O THR A 78 8.057 4.754 2.155 1.00 72.23 O ATOM 1115 CB THR A 78 9.086 1.610 2.106 1.00 23.43 C ATOM 1116 OG1 THR A 78 10.015 0.623 2.598 1.00 44.20 O ATOM 1117 CG2 THR A 78 9.562 2.097 0.716 1.00 71.44 C ATOM 0 H THR A 78 8.685 1.435 4.573 1.00 52.51 H new ATOM 0 HA THR A 78 9.996 3.340 2.916 1.00 34.50 H new ATOM 0 HB THR A 78 8.091 1.171 2.035 1.00 23.43 H new ATOM 0 HG1 THR A 78 9.631 0.174 3.380 1.00 44.20 H new ATOM 0 HG21 THR A 78 9.587 1.255 0.024 1.00 71.44 H new ATOM 0 HG22 THR A 78 8.874 2.855 0.341 1.00 71.44 H new ATOM 0 HG23 THR A 78 10.561 2.525 0.803 1.00 71.44 H new ATOM 1125 N LEU A 79 6.631 3.279 3.101 1.00 63.21 N ATOM 1126 CA LEU A 79 5.402 4.019 2.743 1.00 15.31 C ATOM 1127 C LEU A 79 5.401 5.380 3.399 1.00 73.42 C ATOM 1128 O LEU A 79 4.825 6.322 2.863 1.00 42.33 O ATOM 1129 CB LEU A 79 4.101 3.301 3.201 1.00 45.15 C ATOM 1130 CG LEU A 79 3.719 2.074 2.342 1.00 34.41 C ATOM 1131 CD1 LEU A 79 2.691 1.163 3.048 1.00 12.41 C ATOM 1132 CD2 LEU A 79 3.262 2.473 0.915 1.00 12.30 C ATOM 0 H LEU A 79 6.464 2.433 3.646 1.00 63.21 H new ATOM 0 HA LEU A 79 5.409 4.088 1.655 1.00 15.31 H new ATOM 0 HB2 LEU A 79 4.220 2.983 4.237 1.00 45.15 H new ATOM 0 HB3 LEU A 79 3.278 4.016 3.180 1.00 45.15 H new ATOM 0 HG LEU A 79 4.629 1.486 2.224 1.00 34.41 H new ATOM 0 HD11 LEU A 79 2.454 0.315 2.405 1.00 12.41 H new ATOM 0 HD12 LEU A 79 3.110 0.801 3.987 1.00 12.41 H new ATOM 0 HD13 LEU A 79 1.782 1.729 3.251 1.00 12.41 H new ATOM 0 HD21 LEU A 79 3.005 1.576 0.351 1.00 12.30 H new ATOM 0 HD22 LEU A 79 2.390 3.123 0.981 1.00 12.30 H new ATOM 0 HD23 LEU A 79 4.070 3.001 0.408 1.00 12.30 H new ATOM 1144 N ARG A 80 6.010 5.499 4.586 1.00 43.42 N ATOM 1145 CA ARG A 80 6.016 6.760 5.299 1.00 52.24 C ATOM 1146 C ARG A 80 7.071 7.638 4.692 1.00 0.42 C ATOM 1147 O ARG A 80 6.790 8.784 4.338 1.00 31.20 O ATOM 1148 CB ARG A 80 6.324 6.602 6.794 1.00 53.12 C ATOM 1149 CG ARG A 80 5.259 5.782 7.522 1.00 33.21 C ATOM 1150 CD ARG A 80 5.609 5.511 8.982 1.00 45.12 C ATOM 1151 NE ARG A 80 5.662 6.818 9.705 1.00 52.32 N ATOM 1152 CZ ARG A 80 4.514 7.428 10.187 1.00 73.40 C ATOM 1153 NH1 ARG A 80 3.280 6.845 9.990 1.00 33.33 N ATOM 1154 NH2 ARG A 80 4.617 8.608 10.858 1.00 32.22 N ATOM 0 H ARG A 80 6.498 4.739 5.060 1.00 43.42 H new ATOM 0 HA ARG A 80 5.018 7.191 5.213 1.00 52.24 H new ATOM 0 HB2 ARG A 80 7.295 6.121 6.914 1.00 53.12 H new ATOM 0 HB3 ARG A 80 6.398 7.588 7.254 1.00 53.12 H new ATOM 0 HG2 ARG A 80 4.307 6.310 7.475 1.00 33.21 H new ATOM 0 HG3 ARG A 80 5.123 4.832 7.005 1.00 33.21 H new ATOM 0 HD2 ARG A 80 4.864 4.857 9.435 1.00 45.12 H new ATOM 0 HD3 ARG A 80 6.569 4.999 9.053 1.00 45.12 H new ATOM 0 HE ARG A 80 6.564 7.272 9.847 1.00 52.32 H new ATOM 0 HH11 ARG A 80 3.208 5.960 9.487 1.00 33.33 H new ATOM 0 HH12 ARG A 80 2.439 7.298 10.347 1.00 33.33 H new ATOM 0 HH21 ARG A 80 5.532 9.035 11.002 1.00 32.22 H new ATOM 0 HH22 ARG A 80 3.779 9.065 11.217 1.00 32.22 H new ATOM 1168 N ASN A 81 8.333 7.111 4.605 1.00 54.33 N ATOM 1169 CA ASN A 81 9.496 7.847 4.032 1.00 0.31 C ATOM 1170 C ASN A 81 9.332 8.040 2.512 1.00 13.43 C ATOM 1171 O ASN A 81 10.217 7.715 1.702 1.00 31.45 O ATOM 1172 CB ASN A 81 10.849 7.134 4.323 1.00 3.32 C ATOM 1173 CG ASN A 81 12.028 8.031 3.935 1.00 54.24 C ATOM 1174 OD1 ASN A 81 12.913 7.611 3.187 1.00 42.52 O ATOM 1175 ND2 ASN A 81 12.061 9.280 4.443 1.00 63.31 N ATOM 0 H ASN A 81 8.566 6.172 4.929 1.00 54.33 H new ATOM 0 HA ASN A 81 9.517 8.821 4.521 1.00 0.31 H new ATOM 0 HB2 ASN A 81 10.912 6.880 5.381 1.00 3.32 H new ATOM 0 HB3 ASN A 81 10.899 6.198 3.767 1.00 3.32 H new ATOM 0 HD21 ASN A 81 12.833 9.905 4.211 1.00 63.31 H new ATOM 0 HD22 ASN A 81 11.314 9.600 5.060 1.00 63.31 H new ATOM 1182 N THR A 82 8.206 8.592 2.136 1.00 4.43 N ATOM 1183 CA THR A 82 7.878 8.930 0.800 1.00 71.54 C ATOM 1184 C THR A 82 7.867 10.432 0.733 1.00 31.24 C ATOM 1185 O THR A 82 8.194 11.122 1.716 1.00 5.14 O ATOM 1186 CB THR A 82 6.500 8.412 0.451 1.00 10.41 C ATOM 1187 OG1 THR A 82 5.601 8.698 1.540 1.00 13.24 O ATOM 1188 CG2 THR A 82 6.627 6.898 0.294 1.00 11.45 C ATOM 0 H THR A 82 7.465 8.824 2.797 1.00 4.43 H new ATOM 0 HA THR A 82 8.594 8.494 0.103 1.00 71.54 H new ATOM 0 HB THR A 82 6.119 8.876 -0.459 1.00 10.41 H new ATOM 0 HG1 THR A 82 5.345 7.861 1.982 1.00 13.24 H new ATOM 0 HG21 THR A 82 5.655 6.476 0.041 1.00 11.45 H new ATOM 0 HG22 THR A 82 7.338 6.673 -0.501 1.00 11.45 H new ATOM 0 HG23 THR A 82 6.979 6.463 1.230 1.00 11.45 H new ATOM 1196 N GLY A 83 7.489 10.962 -0.435 1.00 34.20 N ATOM 1197 CA GLY A 83 7.375 12.374 -0.620 1.00 13.42 C ATOM 1198 C GLY A 83 5.961 12.724 -0.333 1.00 2.54 C ATOM 1199 O GLY A 83 5.277 12.003 0.380 1.00 31.54 O ATOM 0 H GLY A 83 7.259 10.410 -1.262 1.00 34.20 H new ATOM 0 HA2 GLY A 83 8.050 12.909 0.048 1.00 13.42 H new ATOM 0 HA3 GLY A 83 7.645 12.655 -1.638 1.00 13.42 H new ATOM 1203 N GLN A 84 5.501 13.861 -0.905 1.00 60.21 N ATOM 1204 CA GLN A 84 4.153 14.352 -0.685 1.00 32.32 C ATOM 1205 C GLN A 84 3.192 13.316 -1.218 1.00 21.55 C ATOM 1206 O GLN A 84 2.309 12.830 -0.504 1.00 72.13 O ATOM 1207 CB GLN A 84 3.886 15.675 -1.451 1.00 61.32 C ATOM 1208 CG GLN A 84 2.467 16.220 -1.268 1.00 22.53 C ATOM 1209 CD GLN A 84 2.281 17.413 -2.194 1.00 72.25 C ATOM 1210 OE1 GLN A 84 3.243 17.918 -2.785 1.00 43.40 O ATOM 1211 NE2 GLN A 84 1.039 17.883 -2.341 1.00 23.42 N ATOM 0 H GLN A 84 6.061 14.447 -1.524 1.00 60.21 H new ATOM 0 HA GLN A 84 4.024 14.536 0.382 1.00 32.32 H new ATOM 0 HB2 GLN A 84 4.600 16.428 -1.117 1.00 61.32 H new ATOM 0 HB3 GLN A 84 4.068 15.512 -2.513 1.00 61.32 H new ATOM 0 HG2 GLN A 84 1.733 15.447 -1.495 1.00 22.53 H new ATOM 0 HG3 GLN A 84 2.307 16.517 -0.232 1.00 22.53 H new ATOM 0 HE21 GLN A 84 0.266 17.445 -1.840 1.00 23.42 H new ATOM 0 HE22 GLN A 84 0.864 18.679 -2.954 1.00 23.42 H new ATOM 1220 N VAL A 85 3.366 12.948 -2.490 1.00 61.32 N ATOM 1221 CA VAL A 85 2.555 11.948 -3.095 1.00 40.34 C ATOM 1222 C VAL A 85 3.298 10.656 -2.953 1.00 22.43 C ATOM 1223 O VAL A 85 4.532 10.621 -3.047 1.00 63.24 O ATOM 1224 CB VAL A 85 2.322 12.267 -4.571 1.00 41.41 C ATOM 1225 CG1 VAL A 85 1.644 11.094 -5.302 1.00 11.43 C ATOM 1226 CG2 VAL A 85 1.478 13.549 -4.616 1.00 75.41 C ATOM 0 H VAL A 85 4.075 13.346 -3.106 1.00 61.32 H new ATOM 0 HA VAL A 85 1.577 11.896 -2.618 1.00 40.34 H new ATOM 0 HB VAL A 85 3.267 12.420 -5.092 1.00 41.41 H new ATOM 0 HG11 VAL A 85 1.494 11.356 -6.349 1.00 11.43 H new ATOM 0 HG12 VAL A 85 2.278 10.209 -5.237 1.00 11.43 H new ATOM 0 HG13 VAL A 85 0.680 10.885 -4.838 1.00 11.43 H new ATOM 0 HG21 VAL A 85 1.283 13.820 -5.654 1.00 75.41 H new ATOM 0 HG22 VAL A 85 0.532 13.380 -4.101 1.00 75.41 H new ATOM 0 HG23 VAL A 85 2.019 14.358 -4.125 1.00 75.41 H new ATOM 1236 N VAL A 86 2.558 9.568 -2.702 1.00 52.42 N ATOM 1237 CA VAL A 86 3.134 8.261 -2.608 1.00 15.42 C ATOM 1238 C VAL A 86 2.788 7.594 -3.889 1.00 20.23 C ATOM 1239 O VAL A 86 1.633 7.637 -4.327 1.00 63.34 O ATOM 1240 CB VAL A 86 2.525 7.418 -1.494 1.00 52.52 C ATOM 1241 CG1 VAL A 86 3.249 6.046 -1.420 1.00 64.34 C ATOM 1242 CG2 VAL A 86 2.600 8.223 -0.192 1.00 2.13 C ATOM 0 H VAL A 86 1.548 9.591 -2.562 1.00 52.42 H new ATOM 0 HA VAL A 86 4.201 8.353 -2.405 1.00 15.42 H new ATOM 0 HB VAL A 86 1.475 7.194 -1.685 1.00 52.52 H new ATOM 0 HG11 VAL A 86 2.811 5.446 -0.622 1.00 64.34 H new ATOM 0 HG12 VAL A 86 3.137 5.524 -2.370 1.00 64.34 H new ATOM 0 HG13 VAL A 86 4.308 6.204 -1.215 1.00 64.34 H new ATOM 0 HG21 VAL A 86 2.169 7.640 0.622 1.00 2.13 H new ATOM 0 HG22 VAL A 86 3.641 8.450 0.036 1.00 2.13 H new ATOM 0 HG23 VAL A 86 2.043 9.153 -0.306 1.00 2.13 H new ATOM 1252 N HIS A 87 3.774 6.969 -4.527 1.00 71.13 N ATOM 1253 CA HIS A 87 3.512 6.185 -5.691 1.00 12.42 C ATOM 1254 C HIS A 87 3.739 4.773 -5.260 1.00 63.25 C ATOM 1255 O HIS A 87 4.776 4.470 -4.660 1.00 73.51 O ATOM 1256 CB HIS A 87 4.484 6.496 -6.852 1.00 55.13 C ATOM 1257 CG HIS A 87 4.022 5.940 -8.162 1.00 10.54 C ATOM 1258 ND1 HIS A 87 3.042 6.540 -8.894 1.00 44.22 N ATOM 1259 CD2 HIS A 87 4.402 4.841 -8.828 1.00 51.04 C ATOM 1260 CE1 HIS A 87 2.827 5.814 -9.974 1.00 65.40 C ATOM 1261 NE2 HIS A 87 3.649 4.777 -9.952 1.00 54.51 N ATOM 0 H HIS A 87 4.754 7.001 -4.245 1.00 71.13 H new ATOM 0 HA HIS A 87 2.506 6.388 -6.059 1.00 12.42 H new ATOM 0 HB2 HIS A 87 4.601 7.576 -6.942 1.00 55.13 H new ATOM 0 HB3 HIS A 87 5.467 6.088 -6.616 1.00 55.13 H new ATOM 0 HD2 HIS A 87 5.165 4.139 -8.526 1.00 51.04 H new ATOM 0 HE1 HIS A 87 2.103 6.029 -10.746 1.00 65.40 H new ATOM 0 HE2 HIS A 87 3.706 4.049 -10.664 1.00 54.51 H new ATOM 1270 N LEU A 88 2.767 3.893 -5.500 1.00 64.33 N ATOM 1271 CA LEU A 88 2.921 2.535 -5.100 1.00 64.51 C ATOM 1272 C LEU A 88 2.051 1.710 -5.964 1.00 22.42 C ATOM 1273 O LEU A 88 0.945 2.126 -6.323 1.00 73.24 O ATOM 1274 CB LEU A 88 2.614 2.282 -3.590 1.00 12.42 C ATOM 1275 CG LEU A 88 1.159 2.561 -3.088 1.00 61.42 C ATOM 1276 CD1 LEU A 88 0.534 3.911 -3.519 1.00 54.05 C ATOM 1277 CD2 LEU A 88 0.217 1.367 -3.275 1.00 44.45 C ATOM 0 H LEU A 88 1.885 4.112 -5.964 1.00 64.33 H new ATOM 0 HA LEU A 88 3.969 2.261 -5.219 1.00 64.51 H new ATOM 0 HB2 LEU A 88 2.851 1.241 -3.369 1.00 12.42 H new ATOM 0 HB3 LEU A 88 3.296 2.896 -3.002 1.00 12.42 H new ATOM 0 HG LEU A 88 1.290 2.689 -2.014 1.00 61.42 H new ATOM 0 HD11 LEU A 88 -0.474 3.992 -3.112 1.00 54.05 H new ATOM 0 HD12 LEU A 88 1.144 4.731 -3.142 1.00 54.05 H new ATOM 0 HD13 LEU A 88 0.491 3.961 -4.607 1.00 54.05 H new ATOM 0 HD21 LEU A 88 -0.776 1.626 -2.907 1.00 44.45 H new ATOM 0 HD22 LEU A 88 0.157 1.113 -4.333 1.00 44.45 H new ATOM 0 HD23 LEU A 88 0.599 0.512 -2.718 1.00 44.45 H new ATOM 1289 N LEU A 89 2.550 0.530 -6.402 1.00 1.20 N ATOM 1290 CA LEU A 89 1.727 -0.387 -7.143 1.00 71.11 C ATOM 1291 C LEU A 89 0.943 -1.153 -6.169 1.00 21.43 C ATOM 1292 O LEU A 89 1.435 -1.550 -5.101 1.00 14.41 O ATOM 1293 CB LEU A 89 2.523 -1.430 -7.982 1.00 71.32 C ATOM 1294 CG LEU A 89 3.038 -0.912 -9.329 1.00 14.35 C ATOM 1295 CD1 LEU A 89 3.782 0.416 -9.219 1.00 25.05 C ATOM 1296 CD2 LEU A 89 3.836 -1.974 -10.105 1.00 75.41 C ATOM 0 H LEU A 89 3.508 0.216 -6.246 1.00 1.20 H new ATOM 0 HA LEU A 89 1.134 0.211 -7.835 1.00 71.11 H new ATOM 0 HB2 LEU A 89 3.372 -1.777 -7.393 1.00 71.32 H new ATOM 0 HB3 LEU A 89 1.884 -2.295 -8.161 1.00 71.32 H new ATOM 0 HG LEU A 89 2.148 -0.702 -9.922 1.00 14.35 H new ATOM 0 HD11 LEU A 89 4.120 0.727 -10.208 1.00 25.05 H new ATOM 0 HD12 LEU A 89 3.115 1.174 -8.809 1.00 25.05 H new ATOM 0 HD13 LEU A 89 4.643 0.297 -8.562 1.00 25.05 H new ATOM 0 HD21 LEU A 89 4.177 -1.554 -11.051 1.00 75.41 H new ATOM 0 HD22 LEU A 89 4.698 -2.285 -9.515 1.00 75.41 H new ATOM 0 HD23 LEU A 89 3.199 -2.837 -10.300 1.00 75.41 H new ATOM 1308 N LEU A 90 -0.284 -1.374 -6.535 1.00 4.15 N ATOM 1309 CA LEU A 90 -1.192 -2.090 -5.714 1.00 71.14 C ATOM 1310 C LEU A 90 -1.956 -3.008 -6.591 1.00 52.51 C ATOM 1311 O LEU A 90 -1.926 -2.887 -7.825 1.00 53.25 O ATOM 1312 CB LEU A 90 -2.118 -1.211 -4.804 1.00 51.41 C ATOM 1313 CG LEU A 90 -3.018 -0.101 -5.467 1.00 30.25 C ATOM 1314 CD1 LEU A 90 -3.125 1.137 -4.556 1.00 32.50 C ATOM 1315 CD2 LEU A 90 -2.637 0.312 -6.900 1.00 23.13 C ATOM 0 H LEU A 90 -0.679 -1.057 -7.420 1.00 4.15 H new ATOM 0 HA LEU A 90 -0.611 -2.646 -4.978 1.00 71.14 H new ATOM 0 HB2 LEU A 90 -2.778 -1.886 -4.259 1.00 51.41 H new ATOM 0 HB3 LEU A 90 -1.483 -0.721 -4.066 1.00 51.41 H new ATOM 0 HG LEU A 90 -3.992 -0.578 -5.572 1.00 30.25 H new ATOM 0 HD11 LEU A 90 -3.751 1.889 -5.036 1.00 32.50 H new ATOM 0 HD12 LEU A 90 -3.569 0.850 -3.603 1.00 32.50 H new ATOM 0 HD13 LEU A 90 -2.131 1.549 -4.384 1.00 32.50 H new ATOM 0 HD21 LEU A 90 -3.325 1.081 -7.252 1.00 23.13 H new ATOM 0 HD22 LEU A 90 -1.620 0.704 -6.907 1.00 23.13 H new ATOM 0 HD23 LEU A 90 -2.696 -0.556 -7.557 1.00 23.13 H new ATOM 1327 N GLU A 91 -2.560 -4.025 -5.984 1.00 75.41 N ATOM 1328 CA GLU A 91 -3.141 -5.091 -6.718 1.00 23.32 C ATOM 1329 C GLU A 91 -4.574 -5.141 -6.280 1.00 20.13 C ATOM 1330 O GLU A 91 -4.839 -5.349 -5.081 1.00 14.33 O ATOM 1331 CB GLU A 91 -2.493 -6.444 -6.325 1.00 12.01 C ATOM 1332 CG GLU A 91 -2.908 -7.639 -7.179 1.00 2.21 C ATOM 1333 CD GLU A 91 -2.491 -8.874 -6.425 1.00 21.42 C ATOM 1334 OE1 GLU A 91 -1.283 -9.035 -6.167 1.00 12.14 O ATOM 1335 OE2 GLU A 91 -3.374 -9.655 -6.031 1.00 50.32 O ATOM 0 H GLU A 91 -2.649 -4.113 -4.972 1.00 75.41 H new ATOM 0 HA GLU A 91 -3.012 -4.935 -7.789 1.00 23.32 H new ATOM 0 HB2 GLU A 91 -1.409 -6.338 -6.379 1.00 12.01 H new ATOM 0 HB3 GLU A 91 -2.741 -6.658 -5.285 1.00 12.01 H new ATOM 0 HG2 GLU A 91 -3.984 -7.636 -7.352 1.00 2.21 H new ATOM 0 HG3 GLU A 91 -2.428 -7.602 -8.157 1.00 2.21 H new ATOM 1342 N LYS A 92 -5.513 -4.972 -7.268 1.00 63.32 N ATOM 1343 CA LYS A 92 -7.003 -5.004 -7.115 1.00 23.52 C ATOM 1344 C LYS A 92 -7.550 -4.449 -5.830 1.00 41.40 C ATOM 1345 O LYS A 92 -8.084 -3.358 -5.803 1.00 53.13 O ATOM 1346 CB LYS A 92 -7.764 -6.306 -7.563 1.00 14.23 C ATOM 1347 CG LYS A 92 -6.904 -7.575 -7.718 1.00 24.02 C ATOM 1348 CD LYS A 92 -6.397 -8.196 -6.410 1.00 52.04 C ATOM 1349 CE LYS A 92 -7.497 -8.832 -5.531 1.00 22.30 C ATOM 1350 NZ LYS A 92 -6.906 -9.530 -4.362 1.00 75.33 N ATOM 0 H LYS A 92 -5.236 -4.802 -8.235 1.00 63.32 H new ATOM 0 HA LYS A 92 -7.247 -4.279 -7.892 1.00 23.52 H new ATOM 0 HB2 LYS A 92 -8.550 -6.511 -6.836 1.00 14.23 H new ATOM 0 HB3 LYS A 92 -8.255 -6.106 -8.515 1.00 14.23 H new ATOM 0 HG2 LYS A 92 -7.487 -8.324 -8.253 1.00 24.02 H new ATOM 0 HG3 LYS A 92 -6.044 -7.335 -8.343 1.00 24.02 H new ATOM 0 HD2 LYS A 92 -5.655 -8.958 -6.649 1.00 52.04 H new ATOM 0 HD3 LYS A 92 -5.888 -7.426 -5.831 1.00 52.04 H new ATOM 0 HE2 LYS A 92 -8.185 -8.060 -5.188 1.00 22.30 H new ATOM 0 HE3 LYS A 92 -8.079 -9.537 -6.124 1.00 22.30 H new ATOM 0 HZ1 LYS A 92 -7.665 -9.949 -3.787 1.00 75.33 H new ATOM 0 HZ2 LYS A 92 -6.268 -10.281 -4.693 1.00 75.33 H new ATOM 0 HZ3 LYS A 92 -6.371 -8.850 -3.786 1.00 75.33 H new ATOM 1364 N GLY A 93 -7.499 -5.233 -4.799 1.00 4.42 N ATOM 1365 CA GLY A 93 -8.116 -4.883 -3.542 1.00 5.21 C ATOM 1366 C GLY A 93 -9.377 -5.620 -3.492 1.00 33.22 C ATOM 1367 O GLY A 93 -9.573 -6.457 -2.623 1.00 12.33 O ATOM 0 H GLY A 93 -7.029 -6.138 -4.797 1.00 4.42 H new ATOM 0 HA2 GLY A 93 -7.473 -5.152 -2.704 1.00 5.21 H new ATOM 0 HA3 GLY A 93 -8.289 -3.809 -3.478 1.00 5.21 H new