USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 733 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 112 TYR OH : rot -119:sc= 0.227 USER MOD Set 1.2: A 136 ASN : amide:sc= 0.163 K(o=0.39,f=-2!) USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= -0.0152 (180deg=-0.28) USER MOD Single : A 67 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.27) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc=-0.00493 K(o=-0.0049,f=-1.2!) USER MOD Single : A 76 TYR OH : rot 100:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0.234 X(o=0.23,f=-0.00069) USER MOD Single : A 81 LYS NZ :NH3+ -161:sc= -0.0528 (180deg=-0.465) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.18) USER MOD Single : A 94 HIS : no HD1:sc=-0.00621 X(o=-0.0062,f=0) USER MOD Single : A 100 ASN : amide:sc= -0.716 K(o=-0.72,f=-0.2) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 106 THR OG1 : rot 29:sc= -0.149 USER MOD Single : A 108 LYS NZ :NH3+ -149:sc= -0.257 (180deg=-1.2) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.197 K(o=-0.2,f=-0.92) USER MOD Single : A 113 GLN : amide:sc= -1.07 K(o=-1.1,f=-2) USER MOD Single : A 120 SER OG : rot -26:sc= 0.0974 USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= -0.493 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -1.6! K(o=-1.6!,f=-0.011) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 38:sc= 1.23 USER MOD Single : A 135 THR OG1 : rot 77:sc= 1.02 USER MOD Single : A 137 MET CE :methyl -110:sc= 0 (180deg=-0.0959) USER MOD Single : A 140 LYS NZ :NH3+ -165:sc= 0.32 (180deg=0.0896) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 25:sc= -1.18 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 MET CE :methyl -168:sc= -2.51 (180deg=-3.07) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 65 9.455 4.512 -7.099 1.00 0.00 N ATOM 16 CA PHE A 65 8.183 4.334 -6.341 1.00 0.00 C ATOM 17 C PHE A 65 8.431 3.413 -5.145 1.00 0.00 C ATOM 18 O PHE A 65 7.932 3.637 -4.060 1.00 0.00 O ATOM 19 CB PHE A 65 7.124 3.719 -7.258 1.00 0.00 C ATOM 20 CG PHE A 65 7.634 2.416 -7.823 1.00 0.00 C ATOM 21 CD1 PHE A 65 7.476 1.227 -7.100 1.00 0.00 C ATOM 22 CD2 PHE A 65 8.256 2.396 -9.077 1.00 0.00 C ATOM 23 CE1 PHE A 65 7.947 0.020 -7.630 1.00 0.00 C ATOM 24 CE2 PHE A 65 8.726 1.190 -9.605 1.00 0.00 C ATOM 25 CZ PHE A 65 8.569 0.001 -8.884 1.00 0.00 C ATOM 0 HA PHE A 65 7.830 5.302 -5.985 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.202 3.549 -6.702 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.885 4.409 -8.068 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.991 1.241 -6.135 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.373 3.312 -9.637 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.830 -0.897 -7.071 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.211 1.176 -10.570 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.928 -0.931 -9.295 1.00 0.00 H new ATOM 35 N LYS A 66 9.191 2.373 -5.342 1.00 0.00 N ATOM 36 CA LYS A 66 9.482 1.430 -4.227 1.00 0.00 C ATOM 37 C LYS A 66 10.159 2.190 -3.088 1.00 0.00 C ATOM 38 O LYS A 66 9.839 2.014 -1.929 1.00 0.00 O ATOM 39 CB LYS A 66 10.415 0.331 -4.738 1.00 0.00 C ATOM 40 CG LYS A 66 10.627 -0.720 -3.650 1.00 0.00 C ATOM 41 CD LYS A 66 11.499 -1.848 -4.201 1.00 0.00 C ATOM 42 CE LYS A 66 11.691 -2.920 -3.127 1.00 0.00 C ATOM 43 NZ LYS A 66 12.527 -2.371 -2.023 1.00 0.00 N ATOM 0 H LYS A 66 9.626 2.134 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 66 8.556 0.985 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.990 -0.134 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.372 0.762 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.103 -0.268 -2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.667 -1.116 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.032 -2.284 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.466 -1.454 -4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.724 -3.240 -2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.170 -3.800 -3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.884 -3.152 -1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.329 -1.845 -2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.952 -1.732 -1.437 1.00 0.00 H new ATOM 57 N GLN A 67 11.099 3.033 -3.413 1.00 0.00 N ATOM 58 CA GLN A 67 11.805 3.812 -2.358 1.00 0.00 C ATOM 59 C GLN A 67 10.816 4.757 -1.672 1.00 0.00 C ATOM 60 O GLN A 67 10.801 4.891 -0.465 1.00 0.00 O ATOM 61 CB GLN A 67 12.919 4.636 -3.010 1.00 0.00 C ATOM 62 CG GLN A 67 13.947 3.699 -3.651 1.00 0.00 C ATOM 63 CD GLN A 67 14.651 2.888 -2.563 1.00 0.00 C ATOM 64 OE1 GLN A 67 15.177 3.444 -1.617 1.00 0.00 O ATOM 65 NE2 GLN A 67 14.690 1.587 -2.656 1.00 0.00 N ATOM 0 H GLN A 67 11.410 3.217 -4.367 1.00 0.00 H new ATOM 0 HA GLN A 67 12.228 3.131 -1.620 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.499 5.301 -3.764 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.403 5.266 -2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.454 3.030 -4.356 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.677 4.277 -4.218 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.250 1.119 -3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.161 1.038 -1.937 1.00 0.00 H new ATOM 74 N VAL A 68 9.996 5.421 -2.442 1.00 0.00 N ATOM 75 CA VAL A 68 9.008 6.369 -1.854 1.00 0.00 C ATOM 76 C VAL A 68 8.003 5.607 -0.983 1.00 0.00 C ATOM 77 O VAL A 68 7.692 6.011 0.120 1.00 0.00 O ATOM 78 CB VAL A 68 8.267 7.083 -2.990 1.00 0.00 C ATOM 79 CG1 VAL A 68 7.103 7.898 -2.422 1.00 0.00 C ATOM 80 CG2 VAL A 68 9.238 8.020 -3.718 1.00 0.00 C ATOM 0 H VAL A 68 9.969 5.346 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 68 9.528 7.099 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 68 7.877 6.341 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.581 8.403 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.412 7.233 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.486 8.640 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.714 8.530 -4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.627 8.758 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.064 7.440 -4.129 1.00 0.00 H new ATOM 90 N ALA A 69 7.485 4.516 -1.476 1.00 0.00 N ATOM 91 CA ALA A 69 6.490 3.738 -0.683 1.00 0.00 C ATOM 92 C ALA A 69 7.143 3.205 0.593 1.00 0.00 C ATOM 93 O ALA A 69 6.605 3.326 1.675 1.00 0.00 O ATOM 94 CB ALA A 69 5.985 2.564 -1.524 1.00 0.00 C ATOM 0 H ALA A 69 7.707 4.129 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 69 5.656 4.386 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.257 1.991 -0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.514 2.942 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.823 1.921 -1.791 1.00 0.00 H new ATOM 100 N ASP A 70 8.298 2.616 0.471 1.00 0.00 N ATOM 101 CA ASP A 70 8.991 2.070 1.668 1.00 0.00 C ATOM 102 C ASP A 70 9.363 3.213 2.613 1.00 0.00 C ATOM 103 O ASP A 70 9.249 3.102 3.818 1.00 0.00 O ATOM 104 CB ASP A 70 10.259 1.339 1.224 1.00 0.00 C ATOM 105 CG ASP A 70 10.964 0.752 2.444 1.00 0.00 C ATOM 106 OD1 ASP A 70 10.523 1.029 3.546 1.00 0.00 O ATOM 107 OD2 ASP A 70 11.933 0.034 2.256 1.00 0.00 O ATOM 0 H ASP A 70 8.794 2.489 -0.411 1.00 0.00 H new ATOM 0 HA ASP A 70 8.330 1.376 2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.006 0.546 0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.924 2.027 0.703 1.00 0.00 H new ATOM 112 N ASP A 71 9.811 4.312 2.071 1.00 0.00 N ATOM 113 CA ASP A 71 10.197 5.469 2.926 1.00 0.00 C ATOM 114 C ASP A 71 8.970 5.972 3.685 1.00 0.00 C ATOM 115 O ASP A 71 9.033 6.278 4.860 1.00 0.00 O ATOM 116 CB ASP A 71 10.742 6.586 2.036 1.00 0.00 C ATOM 117 CG ASP A 71 11.255 7.734 2.905 1.00 0.00 C ATOM 118 OD1 ASP A 71 11.028 7.692 4.102 1.00 0.00 O ATOM 119 OD2 ASP A 71 11.861 8.640 2.355 1.00 0.00 O ATOM 0 H ASP A 71 9.927 4.459 1.068 1.00 0.00 H new ATOM 0 HA ASP A 71 10.961 5.162 3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.548 6.204 1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.960 6.945 1.367 1.00 0.00 H new ATOM 124 N TRP A 72 7.855 6.053 3.020 1.00 0.00 N ATOM 125 CA TRP A 72 6.615 6.530 3.689 1.00 0.00 C ATOM 126 C TRP A 72 6.269 5.595 4.848 1.00 0.00 C ATOM 127 O TRP A 72 5.835 6.021 5.898 1.00 0.00 O ATOM 128 CB TRP A 72 5.465 6.527 2.677 1.00 0.00 C ATOM 129 CG TRP A 72 4.229 7.073 3.314 1.00 0.00 C ATOM 130 CD1 TRP A 72 3.846 8.371 3.281 1.00 0.00 C ATOM 131 CD2 TRP A 72 3.210 6.365 4.077 1.00 0.00 C ATOM 132 NE1 TRP A 72 2.653 8.501 3.971 1.00 0.00 N ATOM 133 CE2 TRP A 72 2.223 7.293 4.483 1.00 0.00 C ATOM 134 CE3 TRP A 72 3.050 5.020 4.454 1.00 0.00 C ATOM 135 CZ2 TRP A 72 1.113 6.899 5.233 1.00 0.00 C ATOM 136 CZ3 TRP A 72 1.936 4.621 5.208 1.00 0.00 C ATOM 137 CH2 TRP A 72 0.970 5.559 5.598 1.00 0.00 C ATOM 0 H TRP A 72 7.748 5.808 2.036 1.00 0.00 H new ATOM 0 HA TRP A 72 6.770 7.540 4.070 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.732 7.127 1.807 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.284 5.513 2.321 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.383 9.173 2.796 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.152 9.382 4.087 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.789 4.289 4.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.371 7.625 5.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.822 3.585 5.490 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.116 5.245 6.180 1.00 0.00 H new ATOM 148 N LEU A 73 6.445 4.317 4.654 1.00 0.00 N ATOM 149 CA LEU A 73 6.108 3.342 5.726 1.00 0.00 C ATOM 150 C LEU A 73 6.997 3.601 6.949 1.00 0.00 C ATOM 151 O LEU A 73 6.538 3.613 8.074 1.00 0.00 O ATOM 152 CB LEU A 73 6.356 1.919 5.188 1.00 0.00 C ATOM 153 CG LEU A 73 5.408 0.915 5.864 1.00 0.00 C ATOM 154 CD1 LEU A 73 5.532 1.022 7.390 1.00 0.00 C ATOM 155 CD2 LEU A 73 3.943 1.190 5.431 1.00 0.00 C ATOM 0 H LEU A 73 6.809 3.906 3.795 1.00 0.00 H new ATOM 0 HA LEU A 73 5.064 3.449 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.205 1.901 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.391 1.630 5.370 1.00 0.00 H new ATOM 0 HG LEU A 73 5.684 -0.093 5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.857 0.307 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.557 0.803 7.688 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.270 2.032 7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.280 0.473 5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.661 2.201 5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.858 1.089 4.349 1.00 0.00 H new ATOM 167 N LYS A 74 8.267 3.806 6.732 1.00 0.00 N ATOM 168 CA LYS A 74 9.193 4.058 7.872 1.00 0.00 C ATOM 169 C LYS A 74 8.810 5.364 8.573 1.00 0.00 C ATOM 170 O LYS A 74 8.777 5.443 9.783 1.00 0.00 O ATOM 171 CB LYS A 74 10.627 4.158 7.344 1.00 0.00 C ATOM 172 CG LYS A 74 11.086 2.784 6.851 1.00 0.00 C ATOM 173 CD LYS A 74 12.512 2.888 6.307 1.00 0.00 C ATOM 174 CE LYS A 74 12.981 1.513 5.826 1.00 0.00 C ATOM 175 NZ LYS A 74 14.372 1.618 5.298 1.00 0.00 N ATOM 0 H LYS A 74 8.705 3.810 5.811 1.00 0.00 H new ATOM 0 HA LYS A 74 9.122 3.237 8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.677 4.883 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.292 4.515 8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.048 2.062 7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.414 2.422 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.547 3.603 5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.181 3.261 7.082 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.946 0.797 6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.313 1.140 5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.691 0.684 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.392 2.288 4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.005 1.956 6.051 1.00 0.00 H new ATOM 189 N GLN A 75 8.521 6.391 7.820 1.00 0.00 N ATOM 190 CA GLN A 75 8.141 7.689 8.444 1.00 0.00 C ATOM 191 C GLN A 75 6.780 7.552 9.130 1.00 0.00 C ATOM 192 O GLN A 75 6.560 8.070 10.206 1.00 0.00 O ATOM 193 CB GLN A 75 8.062 8.767 7.360 1.00 0.00 C ATOM 194 CG GLN A 75 9.467 9.053 6.825 1.00 0.00 C ATOM 195 CD GLN A 75 9.382 10.073 5.689 1.00 0.00 C ATOM 196 OE1 GLN A 75 8.317 10.572 5.384 1.00 0.00 O ATOM 197 NE2 GLN A 75 10.467 10.409 5.047 1.00 0.00 N ATOM 0 H GLN A 75 8.532 6.386 6.800 1.00 0.00 H new ATOM 0 HA GLN A 75 8.890 7.969 9.185 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.412 8.436 6.549 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.624 9.678 7.768 1.00 0.00 H new ATOM 0 HG2 GLN A 75 10.101 9.435 7.625 1.00 0.00 H new ATOM 0 HG3 GLN A 75 9.926 8.131 6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.361 9.990 5.303 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.421 11.090 4.289 1.00 0.00 H new ATOM 206 N TYR A 76 5.866 6.855 8.512 1.00 0.00 N ATOM 207 CA TYR A 76 4.518 6.682 9.123 1.00 0.00 C ATOM 208 C TYR A 76 4.629 5.763 10.338 1.00 0.00 C ATOM 209 O TYR A 76 3.737 5.694 11.162 1.00 0.00 O ATOM 210 CB TYR A 76 3.571 6.063 8.093 1.00 0.00 C ATOM 211 CG TYR A 76 2.187 5.946 8.685 1.00 0.00 C ATOM 212 CD1 TYR A 76 1.369 7.079 8.774 1.00 0.00 C ATOM 213 CD2 TYR A 76 1.721 4.708 9.142 1.00 0.00 C ATOM 214 CE1 TYR A 76 0.085 6.974 9.320 1.00 0.00 C ATOM 215 CE2 TYR A 76 0.437 4.603 9.688 1.00 0.00 C ATOM 216 CZ TYR A 76 -0.382 5.736 9.777 1.00 0.00 C ATOM 217 OH TYR A 76 -1.649 5.631 10.314 1.00 0.00 O ATOM 0 H TYR A 76 5.995 6.398 7.609 1.00 0.00 H new ATOM 0 HA TYR A 76 4.128 7.651 9.436 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.542 6.679 7.194 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.934 5.080 7.794 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.729 8.034 8.421 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.352 3.834 9.073 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.546 7.848 9.389 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.077 3.648 10.041 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.262 5.272 9.639 1.00 0.00 H new ATOM 227 N ALA A 77 5.719 5.056 10.458 1.00 0.00 N ATOM 228 CA ALA A 77 5.890 4.143 11.620 1.00 0.00 C ATOM 229 C ALA A 77 5.795 4.954 12.910 1.00 0.00 C ATOM 230 O ALA A 77 5.408 4.452 13.946 1.00 0.00 O ATOM 231 CB ALA A 77 7.259 3.466 11.535 1.00 0.00 C ATOM 0 H ALA A 77 6.498 5.072 9.800 1.00 0.00 H new ATOM 0 HA ALA A 77 5.111 3.381 11.611 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.387 2.796 12.385 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.325 2.894 10.609 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.042 4.225 11.550 1.00 0.00 H new ATOM 237 N ASN A 78 6.127 6.213 12.846 1.00 0.00 N ATOM 238 CA ASN A 78 6.048 7.070 14.060 1.00 0.00 C ATOM 239 C ASN A 78 4.586 7.183 14.499 1.00 0.00 C ATOM 240 O ASN A 78 4.278 7.203 15.675 1.00 0.00 O ATOM 241 CB ASN A 78 6.582 8.468 13.729 1.00 0.00 C ATOM 242 CG ASN A 78 8.099 8.407 13.539 1.00 0.00 C ATOM 243 OD1 ASN A 78 8.830 8.143 14.472 1.00 0.00 O ATOM 244 ND2 ASN A 78 8.606 8.643 12.359 1.00 0.00 N ATOM 0 H ASN A 78 6.451 6.686 12.002 1.00 0.00 H new ATOM 0 HA ASN A 78 6.643 6.630 14.860 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.107 8.845 12.823 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.334 9.162 14.532 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.616 8.606 12.221 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.992 8.865 11.575 1.00 0.00 H new ATOM 251 N ASP A 79 3.687 7.275 13.560 1.00 0.00 N ATOM 252 CA ASP A 79 2.242 7.413 13.905 1.00 0.00 C ATOM 253 C ASP A 79 1.677 6.091 14.436 1.00 0.00 C ATOM 254 O ASP A 79 2.340 5.074 14.450 1.00 0.00 O ATOM 255 CB ASP A 79 1.464 7.818 12.652 1.00 0.00 C ATOM 256 CG ASP A 79 1.794 9.266 12.289 1.00 0.00 C ATOM 257 OD1 ASP A 79 2.463 9.917 13.076 1.00 0.00 O ATOM 258 OD2 ASP A 79 1.373 9.701 11.230 1.00 0.00 O ATOM 0 H ASP A 79 3.891 7.261 12.561 1.00 0.00 H new ATOM 0 HA ASP A 79 2.142 8.173 14.680 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.720 7.157 11.824 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.393 7.711 12.826 1.00 0.00 H new ATOM 263 N VAL A 80 0.439 6.125 14.863 1.00 0.00 N ATOM 264 CA VAL A 80 -0.257 4.913 15.405 1.00 0.00 C ATOM 265 C VAL A 80 0.682 4.034 16.233 1.00 0.00 C ATOM 266 O VAL A 80 1.763 4.434 16.619 1.00 0.00 O ATOM 267 CB VAL A 80 -0.863 4.088 14.263 1.00 0.00 C ATOM 268 CG1 VAL A 80 -1.921 4.924 13.541 1.00 0.00 C ATOM 269 CG2 VAL A 80 0.221 3.672 13.264 1.00 0.00 C ATOM 0 H VAL A 80 -0.136 6.967 14.859 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.051 5.267 16.062 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.317 3.190 14.682 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.354 4.340 12.729 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.705 5.204 14.244 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.459 5.824 13.135 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.229 3.088 12.461 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.691 4.562 12.845 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.973 3.070 13.773 1.00 0.00 H new ATOM 279 N LYS A 81 0.243 2.842 16.530 1.00 0.00 N ATOM 280 CA LYS A 81 1.056 1.907 17.358 1.00 0.00 C ATOM 281 C LYS A 81 2.068 1.165 16.484 1.00 0.00 C ATOM 282 O LYS A 81 1.850 0.931 15.312 1.00 0.00 O ATOM 283 CB LYS A 81 0.123 0.893 18.033 1.00 0.00 C ATOM 284 CG LYS A 81 -0.827 1.609 19.025 1.00 0.00 C ATOM 285 CD LYS A 81 -2.146 1.984 18.332 1.00 0.00 C ATOM 286 CE LYS A 81 -3.032 2.761 19.307 1.00 0.00 C ATOM 287 NZ LYS A 81 -3.369 1.893 20.469 1.00 0.00 N ATOM 0 H LYS A 81 -0.658 2.471 16.229 1.00 0.00 H new ATOM 0 HA LYS A 81 1.597 2.477 18.113 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.460 0.367 17.277 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.712 0.143 18.561 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -1.029 0.960 19.877 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.346 2.506 19.415 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.945 2.587 17.447 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.660 1.084 17.995 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.516 3.659 19.647 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.944 3.087 18.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.203 2.276 20.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.576 0.930 20.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.564 1.866 21.127 1.00 0.00 H new ATOM 301 N VAL A 82 3.181 0.800 17.058 1.00 0.00 N ATOM 302 CA VAL A 82 4.234 0.073 16.295 1.00 0.00 C ATOM 303 C VAL A 82 3.711 -1.296 15.847 1.00 0.00 C ATOM 304 O VAL A 82 3.918 -1.714 14.726 1.00 0.00 O ATOM 305 CB VAL A 82 5.451 -0.120 17.201 1.00 0.00 C ATOM 306 CG1 VAL A 82 6.491 -0.991 16.494 1.00 0.00 C ATOM 307 CG2 VAL A 82 6.061 1.245 17.528 1.00 0.00 C ATOM 0 H VAL A 82 3.408 0.977 18.036 1.00 0.00 H new ATOM 0 HA VAL A 82 4.508 0.651 15.412 1.00 0.00 H new ATOM 0 HB VAL A 82 5.141 -0.612 18.123 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.356 -1.125 17.144 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.056 -1.963 16.264 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.804 -0.506 15.569 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.929 1.110 18.174 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.368 1.737 16.605 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.321 1.861 18.038 1.00 0.00 H new ATOM 317 N SER A 83 3.046 -2.003 16.720 1.00 0.00 N ATOM 318 CA SER A 83 2.525 -3.352 16.354 1.00 0.00 C ATOM 319 C SER A 83 1.561 -3.230 15.170 1.00 0.00 C ATOM 320 O SER A 83 1.563 -4.046 14.270 1.00 0.00 O ATOM 321 CB SER A 83 1.782 -3.943 17.552 1.00 0.00 C ATOM 322 OG SER A 83 0.715 -3.074 17.916 1.00 0.00 O ATOM 0 H SER A 83 2.840 -1.704 17.673 1.00 0.00 H new ATOM 0 HA SER A 83 3.356 -4.000 16.076 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.394 -4.931 17.303 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.465 -4.071 18.392 1.00 0.00 H new ATOM 0 HG SER A 83 0.234 -3.450 18.683 1.00 0.00 H new ATOM 328 N SER A 84 0.741 -2.218 15.167 1.00 0.00 N ATOM 329 CA SER A 84 -0.224 -2.034 14.046 1.00 0.00 C ATOM 330 C SER A 84 0.544 -1.826 12.741 1.00 0.00 C ATOM 331 O SER A 84 0.184 -2.342 11.702 1.00 0.00 O ATOM 332 CB SER A 84 -1.099 -0.812 14.329 1.00 0.00 C ATOM 333 OG SER A 84 -2.046 -0.659 13.282 1.00 0.00 O ATOM 0 H SER A 84 0.697 -1.506 15.896 1.00 0.00 H new ATOM 0 HA SER A 84 -0.854 -2.919 13.955 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.611 -0.931 15.284 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.480 0.082 14.408 1.00 0.00 H new ATOM 0 HG SER A 84 -2.609 0.123 13.462 1.00 0.00 H new ATOM 339 N VAL A 85 1.599 -1.062 12.789 1.00 0.00 N ATOM 340 CA VAL A 85 2.399 -0.799 11.561 1.00 0.00 C ATOM 341 C VAL A 85 2.977 -2.108 11.028 1.00 0.00 C ATOM 342 O VAL A 85 2.969 -2.362 9.840 1.00 0.00 O ATOM 343 CB VAL A 85 3.544 0.159 11.908 1.00 0.00 C ATOM 344 CG1 VAL A 85 4.443 0.348 10.685 1.00 0.00 C ATOM 345 CG2 VAL A 85 2.963 1.511 12.341 1.00 0.00 C ATOM 0 H VAL A 85 1.944 -0.605 13.633 1.00 0.00 H new ATOM 0 HA VAL A 85 1.760 -0.355 10.798 1.00 0.00 H new ATOM 0 HB VAL A 85 4.134 -0.258 12.724 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.257 1.029 10.933 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.855 -0.615 10.384 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.859 0.765 9.865 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.776 2.194 12.588 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.372 1.930 11.527 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.328 1.371 13.216 1.00 0.00 H new ATOM 355 N ARG A 86 3.492 -2.938 11.891 1.00 0.00 N ATOM 356 CA ARG A 86 4.088 -4.224 11.427 1.00 0.00 C ATOM 357 C ARG A 86 3.022 -5.070 10.725 1.00 0.00 C ATOM 358 O ARG A 86 3.256 -5.628 9.672 1.00 0.00 O ATOM 359 CB ARG A 86 4.619 -4.994 12.640 1.00 0.00 C ATOM 360 CG ARG A 86 5.867 -4.298 13.186 1.00 0.00 C ATOM 361 CD ARG A 86 6.360 -5.033 14.436 1.00 0.00 C ATOM 362 NE ARG A 86 7.593 -4.369 14.945 1.00 0.00 N ATOM 363 CZ ARG A 86 8.153 -4.779 16.051 1.00 0.00 C ATOM 364 NH1 ARG A 86 7.632 -5.774 16.721 1.00 0.00 N ATOM 365 NH2 ARG A 86 9.235 -4.197 16.488 1.00 0.00 N ATOM 0 H ARG A 86 3.527 -2.782 12.898 1.00 0.00 H new ATOM 0 HA ARG A 86 4.899 -4.015 10.729 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.853 -5.047 13.413 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.857 -6.019 12.356 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.650 -4.285 12.427 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.640 -3.260 13.428 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.587 -5.027 15.204 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.567 -6.077 14.200 1.00 0.00 H new ATOM 0 HE ARG A 86 8.001 -3.591 14.427 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.787 -6.231 16.380 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.071 -6.093 17.585 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.644 -3.422 15.966 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.673 -4.517 17.352 1.00 0.00 H new ATOM 379 N ALA A 87 1.854 -5.175 11.299 1.00 0.00 N ATOM 380 CA ALA A 87 0.778 -5.992 10.663 1.00 0.00 C ATOM 381 C ALA A 87 0.342 -5.341 9.348 1.00 0.00 C ATOM 382 O ALA A 87 0.207 -5.994 8.330 1.00 0.00 O ATOM 383 CB ALA A 87 -0.416 -6.081 11.618 1.00 0.00 C ATOM 0 H ALA A 87 1.597 -4.731 12.181 1.00 0.00 H new ATOM 0 HA ALA A 87 1.155 -6.993 10.454 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.205 -6.676 11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.102 -6.551 12.550 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.792 -5.079 11.825 1.00 0.00 H new ATOM 389 N ARG A 88 0.127 -4.054 9.364 1.00 0.00 N ATOM 390 CA ARG A 88 -0.298 -3.345 8.123 1.00 0.00 C ATOM 391 C ARG A 88 0.835 -3.413 7.097 1.00 0.00 C ATOM 392 O ARG A 88 0.610 -3.539 5.910 1.00 0.00 O ATOM 393 CB ARG A 88 -0.607 -1.882 8.461 1.00 0.00 C ATOM 394 CG ARG A 88 -1.851 -1.815 9.355 1.00 0.00 C ATOM 395 CD ARG A 88 -2.082 -0.372 9.815 1.00 0.00 C ATOM 396 NE ARG A 88 -2.418 0.481 8.641 1.00 0.00 N ATOM 397 CZ ARG A 88 -2.566 1.773 8.786 1.00 0.00 C ATOM 398 NH1 ARG A 88 -2.417 2.323 9.962 1.00 0.00 N ATOM 399 NH2 ARG A 88 -2.870 2.513 7.756 1.00 0.00 N ATOM 0 H ARG A 88 0.228 -3.460 10.187 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.190 -3.815 7.709 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.244 -1.428 8.969 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.773 -1.313 7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.722 -2.176 8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.724 -2.466 10.220 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.891 -0.338 10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.189 0.009 10.310 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.533 0.056 7.721 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.185 1.745 10.770 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.533 3.330 10.072 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.992 2.085 6.838 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.986 3.520 7.868 1.00 0.00 H new ATOM 413 N GLU A 89 2.055 -3.323 7.554 1.00 0.00 N ATOM 414 CA GLU A 89 3.218 -3.374 6.623 1.00 0.00 C ATOM 415 C GLU A 89 3.258 -4.732 5.923 1.00 0.00 C ATOM 416 O GLU A 89 3.562 -4.829 4.751 1.00 0.00 O ATOM 417 CB GLU A 89 4.507 -3.178 7.426 1.00 0.00 C ATOM 418 CG GLU A 89 5.708 -3.171 6.479 1.00 0.00 C ATOM 419 CD GLU A 89 6.982 -2.883 7.275 1.00 0.00 C ATOM 420 OE1 GLU A 89 6.865 -2.461 8.413 1.00 0.00 O ATOM 421 OE2 GLU A 89 8.056 -3.087 6.731 1.00 0.00 O ATOM 0 H GLU A 89 2.297 -3.216 8.539 1.00 0.00 H new ATOM 0 HA GLU A 89 3.123 -2.587 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.463 -2.240 7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.615 -3.977 8.160 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.792 -4.133 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.571 -2.415 5.706 1.00 0.00 H new ATOM 428 N LYS A 90 2.961 -5.780 6.636 1.00 0.00 N ATOM 429 CA LYS A 90 2.985 -7.135 6.019 1.00 0.00 C ATOM 430 C LYS A 90 1.939 -7.215 4.906 1.00 0.00 C ATOM 431 O LYS A 90 2.197 -7.728 3.836 1.00 0.00 O ATOM 432 CB LYS A 90 2.661 -8.175 7.100 1.00 0.00 C ATOM 433 CG LYS A 90 3.810 -8.263 8.121 1.00 0.00 C ATOM 434 CD LYS A 90 4.910 -9.199 7.603 1.00 0.00 C ATOM 435 CE LYS A 90 6.034 -9.291 8.636 1.00 0.00 C ATOM 436 NZ LYS A 90 7.088 -10.215 8.133 1.00 0.00 N ATOM 0 H LYS A 90 2.702 -5.758 7.622 1.00 0.00 H new ATOM 0 HA LYS A 90 3.971 -7.330 5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.735 -7.905 7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.500 -9.150 6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.222 -7.270 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.431 -8.629 9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.498 -10.189 7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.302 -8.827 6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.457 -8.303 8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.641 -9.651 9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.855 -10.281 8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.678 -11.158 7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.468 -9.852 7.236 1.00 0.00 H new ATOM 450 N ALA A 91 0.758 -6.716 5.149 1.00 0.00 N ATOM 451 CA ALA A 91 -0.300 -6.772 4.101 1.00 0.00 C ATOM 452 C ALA A 91 0.063 -5.844 2.935 1.00 0.00 C ATOM 453 O ALA A 91 -0.109 -6.185 1.782 1.00 0.00 O ATOM 454 CB ALA A 91 -1.635 -6.336 4.712 1.00 0.00 C ATOM 0 H ALA A 91 0.481 -6.273 6.025 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.382 -7.792 3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.414 -6.375 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.896 -7.005 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.547 -5.317 5.089 1.00 0.00 H new ATOM 460 N ILE A 92 0.560 -4.671 3.229 1.00 0.00 N ATOM 461 CA ILE A 92 0.929 -3.713 2.142 1.00 0.00 C ATOM 462 C ILE A 92 2.095 -4.270 1.319 1.00 0.00 C ATOM 463 O ILE A 92 2.113 -4.172 0.106 1.00 0.00 O ATOM 464 CB ILE A 92 1.329 -2.367 2.754 1.00 0.00 C ATOM 465 CG1 ILE A 92 0.102 -1.727 3.410 1.00 0.00 C ATOM 466 CG2 ILE A 92 1.855 -1.441 1.653 1.00 0.00 C ATOM 467 CD1 ILE A 92 0.533 -0.523 4.252 1.00 0.00 C ATOM 0 H ILE A 92 0.727 -4.333 4.177 1.00 0.00 H new ATOM 0 HA ILE A 92 0.068 -3.574 1.488 1.00 0.00 H new ATOM 0 HB ILE A 92 2.107 -2.523 3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.608 -1.412 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.409 -2.457 4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.140 -0.483 2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.724 -1.897 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.076 -1.283 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.344 -0.071 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.226 -0.850 5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.024 0.211 3.613 1.00 0.00 H new ATOM 479 N GLN A 93 3.080 -4.831 1.974 1.00 0.00 N ATOM 480 CA GLN A 93 4.266 -5.376 1.243 1.00 0.00 C ATOM 481 C GLN A 93 3.812 -6.119 -0.014 1.00 0.00 C ATOM 482 O GLN A 93 4.496 -6.135 -1.017 1.00 0.00 O ATOM 483 CB GLN A 93 5.023 -6.342 2.160 1.00 0.00 C ATOM 484 CG GLN A 93 6.354 -6.734 1.515 1.00 0.00 C ATOM 485 CD GLN A 93 7.281 -5.517 1.469 1.00 0.00 C ATOM 486 OE1 GLN A 93 7.801 -5.171 0.427 1.00 0.00 O ATOM 487 NE2 GLN A 93 7.510 -4.846 2.565 1.00 0.00 N ATOM 0 H GLN A 93 3.114 -4.936 2.988 1.00 0.00 H new ATOM 0 HA GLN A 93 4.918 -4.552 0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.202 -5.874 3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.421 -7.232 2.342 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.822 -7.539 2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.184 -7.112 0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.074 -5.135 3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.125 -4.032 2.546 1.00 0.00 H new ATOM 496 N HIS A 94 2.661 -6.728 0.028 1.00 0.00 N ATOM 497 CA HIS A 94 2.162 -7.462 -1.168 1.00 0.00 C ATOM 498 C HIS A 94 2.013 -6.485 -2.339 1.00 0.00 C ATOM 499 O HIS A 94 2.394 -6.778 -3.454 1.00 0.00 O ATOM 500 CB HIS A 94 0.804 -8.097 -0.843 1.00 0.00 C ATOM 501 CG HIS A 94 1.007 -9.334 -0.011 1.00 0.00 C ATOM 502 ND1 HIS A 94 1.190 -10.585 -0.581 1.00 0.00 N ATOM 503 CD2 HIS A 94 1.055 -9.531 1.347 1.00 0.00 C ATOM 504 CE1 HIS A 94 1.339 -11.470 0.421 1.00 0.00 C ATOM 505 NE2 HIS A 94 1.265 -10.880 1.618 1.00 0.00 N ATOM 0 H HIS A 94 2.043 -6.749 0.839 1.00 0.00 H new ATOM 0 HA HIS A 94 2.869 -8.245 -1.442 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.178 -7.385 -0.306 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.280 -8.349 -1.765 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.946 -8.757 2.092 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.499 -12.528 0.276 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.345 -11.323 2.533 1.00 0.00 H new ATOM 513 N ALA A 95 1.466 -5.322 -2.096 1.00 0.00 N ATOM 514 CA ALA A 95 1.302 -4.331 -3.200 1.00 0.00 C ATOM 515 C ALA A 95 2.682 -3.911 -3.703 1.00 0.00 C ATOM 516 O ALA A 95 2.935 -3.854 -4.890 1.00 0.00 O ATOM 517 CB ALA A 95 0.550 -3.103 -2.676 1.00 0.00 C ATOM 0 H ALA A 95 1.127 -5.017 -1.184 1.00 0.00 H new ATOM 0 HA ALA A 95 0.735 -4.778 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.430 -2.379 -3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.431 -3.406 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.116 -2.650 -1.862 1.00 0.00 H new ATOM 523 N ILE A 96 3.578 -3.623 -2.800 1.00 0.00 N ATOM 524 CA ILE A 96 4.948 -3.209 -3.209 1.00 0.00 C ATOM 525 C ILE A 96 5.622 -4.370 -3.937 1.00 0.00 C ATOM 526 O ILE A 96 6.266 -4.193 -4.954 1.00 0.00 O ATOM 527 CB ILE A 96 5.753 -2.841 -1.960 1.00 0.00 C ATOM 528 CG1 ILE A 96 5.170 -1.568 -1.339 1.00 0.00 C ATOM 529 CG2 ILE A 96 7.214 -2.596 -2.341 1.00 0.00 C ATOM 530 CD1 ILE A 96 5.761 -1.363 0.057 1.00 0.00 C ATOM 0 H ILE A 96 3.419 -3.657 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 96 4.897 -2.346 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 96 5.700 -3.659 -1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.394 -0.708 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.084 -1.645 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.784 -2.334 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.631 -3.500 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.270 -1.779 -3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.346 -0.457 0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.515 -2.219 0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.844 -1.267 -0.017 1.00 0.00 H new ATOM 542 N GLU A 97 5.475 -5.562 -3.425 1.00 0.00 N ATOM 543 CA GLU A 97 6.103 -6.741 -4.081 1.00 0.00 C ATOM 544 C GLU A 97 5.489 -6.942 -5.468 1.00 0.00 C ATOM 545 O GLU A 97 6.179 -7.215 -6.430 1.00 0.00 O ATOM 546 CB GLU A 97 5.853 -7.986 -3.227 1.00 0.00 C ATOM 547 CG GLU A 97 6.553 -9.191 -3.858 1.00 0.00 C ATOM 548 CD GLU A 97 6.358 -10.419 -2.969 1.00 0.00 C ATOM 549 OE1 GLU A 97 5.549 -10.343 -2.058 1.00 0.00 O ATOM 550 OE2 GLU A 97 7.021 -11.413 -3.210 1.00 0.00 O ATOM 0 H GLU A 97 4.945 -5.769 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 97 7.176 -6.575 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.225 -7.826 -2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.783 -8.175 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.148 -9.381 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.616 -8.984 -3.981 1.00 0.00 H new ATOM 557 N ARG A 98 4.194 -6.813 -5.575 1.00 0.00 N ATOM 558 CA ARG A 98 3.529 -6.999 -6.897 1.00 0.00 C ATOM 559 C ARG A 98 3.954 -5.884 -7.851 1.00 0.00 C ATOM 560 O ARG A 98 4.223 -6.117 -9.012 1.00 0.00 O ATOM 561 CB ARG A 98 2.009 -6.959 -6.713 1.00 0.00 C ATOM 562 CG ARG A 98 1.324 -7.239 -8.052 1.00 0.00 C ATOM 563 CD ARG A 98 -0.193 -7.284 -7.849 1.00 0.00 C ATOM 564 NE ARG A 98 -0.537 -8.445 -6.980 1.00 0.00 N ATOM 565 CZ ARG A 98 -1.775 -8.657 -6.624 1.00 0.00 C ATOM 566 NH1 ARG A 98 -2.723 -7.855 -7.034 1.00 0.00 N ATOM 567 NH2 ARG A 98 -2.067 -9.672 -5.857 1.00 0.00 N ATOM 0 H ARG A 98 3.567 -6.587 -4.803 1.00 0.00 H new ATOM 0 HA ARG A 98 3.822 -7.962 -7.315 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.702 -7.699 -5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.704 -5.984 -6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.582 -6.464 -8.774 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.675 -8.186 -8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.538 -6.357 -7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.698 -7.372 -8.811 1.00 0.00 H new ATOM 0 HE ARG A 98 0.198 -9.077 -6.662 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.496 -7.062 -7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.689 -8.023 -6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.328 -10.298 -5.537 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.034 -9.839 -5.578 1.00 0.00 H new ATOM 581 N PHE A 99 4.011 -4.670 -7.372 1.00 0.00 N ATOM 582 CA PHE A 99 4.412 -3.531 -8.252 1.00 0.00 C ATOM 583 C PHE A 99 5.915 -3.283 -8.108 1.00 0.00 C ATOM 584 O PHE A 99 6.420 -2.228 -8.437 1.00 0.00 O ATOM 585 CB PHE A 99 3.631 -2.273 -7.850 1.00 0.00 C ATOM 586 CG PHE A 99 2.157 -2.609 -7.702 1.00 0.00 C ATOM 587 CD1 PHE A 99 1.459 -3.216 -8.759 1.00 0.00 C ATOM 588 CD2 PHE A 99 1.483 -2.310 -6.508 1.00 0.00 C ATOM 589 CE1 PHE A 99 0.101 -3.525 -8.618 1.00 0.00 C ATOM 590 CE2 PHE A 99 0.124 -2.620 -6.371 1.00 0.00 C ATOM 591 CZ PHE A 99 -0.566 -3.227 -7.425 1.00 0.00 C ATOM 0 H PHE A 99 3.797 -4.416 -6.408 1.00 0.00 H new ATOM 0 HA PHE A 99 4.187 -3.772 -9.291 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.019 -1.877 -6.912 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.763 -1.496 -8.603 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.971 -3.445 -9.682 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.013 -1.840 -5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.433 -3.994 -9.431 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.392 -2.390 -5.450 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.614 -3.466 -7.318 1.00 0.00 H new ATOM 601 N ASN A 100 6.634 -4.261 -7.625 1.00 0.00 N ATOM 602 CA ASN A 100 8.107 -4.107 -7.460 1.00 0.00 C ATOM 603 C ASN A 100 8.758 -3.906 -8.829 1.00 0.00 C ATOM 604 O ASN A 100 9.665 -3.115 -8.983 1.00 0.00 O ATOM 605 CB ASN A 100 8.673 -5.367 -6.805 1.00 0.00 C ATOM 606 CG ASN A 100 10.199 -5.281 -6.750 1.00 0.00 C ATOM 607 OD1 ASN A 100 10.882 -5.833 -7.589 1.00 0.00 O ATOM 608 ND2 ASN A 100 10.766 -4.614 -5.782 1.00 0.00 N ATOM 0 H ASN A 100 6.261 -5.165 -7.336 1.00 0.00 H new ATOM 0 HA ASN A 100 8.316 -3.241 -6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 100 8.269 -5.478 -5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.369 -6.249 -7.369 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.783 -4.556 -5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.192 -4.151 -5.078 1.00 0.00 H new ATOM 615 N THR A 101 8.305 -4.619 -9.827 1.00 0.00 N ATOM 616 CA THR A 101 8.898 -4.465 -11.190 1.00 0.00 C ATOM 617 C THR A 101 8.022 -3.529 -12.016 1.00 0.00 C ATOM 618 O THR A 101 8.439 -3.020 -13.040 1.00 0.00 O ATOM 619 CB THR A 101 8.956 -5.831 -11.875 1.00 0.00 C ATOM 620 OG1 THR A 101 7.635 -6.280 -12.138 1.00 0.00 O ATOM 621 CG2 THR A 101 9.666 -6.829 -10.964 1.00 0.00 C ATOM 0 H THR A 101 7.550 -5.301 -9.758 1.00 0.00 H new ATOM 0 HA THR A 101 9.904 -4.053 -11.107 1.00 0.00 H new ATOM 0 HB THR A 101 9.505 -5.747 -12.813 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.668 -7.155 -12.579 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.707 -7.802 -11.453 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.679 -6.481 -10.763 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.119 -6.917 -10.025 1.00 0.00 H new ATOM 629 N LYS A 102 6.805 -3.295 -11.582 1.00 0.00 N ATOM 630 CA LYS A 102 5.885 -2.388 -12.341 1.00 0.00 C ATOM 631 C LYS A 102 5.715 -1.065 -11.569 1.00 0.00 C ATOM 632 O LYS A 102 5.543 -1.076 -10.364 1.00 0.00 O ATOM 633 CB LYS A 102 4.522 -3.061 -12.497 1.00 0.00 C ATOM 634 CG LYS A 102 4.695 -4.384 -13.248 1.00 0.00 C ATOM 635 CD LYS A 102 3.438 -5.240 -13.077 1.00 0.00 C ATOM 636 CE LYS A 102 2.234 -4.509 -13.670 1.00 0.00 C ATOM 637 NZ LYS A 102 1.102 -5.463 -13.820 1.00 0.00 N ATOM 0 H LYS A 102 6.408 -3.695 -10.732 1.00 0.00 H new ATOM 0 HA LYS A 102 6.307 -2.184 -13.325 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.078 -3.241 -11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 102 3.841 -2.407 -13.041 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.876 -4.192 -14.306 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.566 -4.918 -12.868 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.571 -6.202 -13.571 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.267 -5.445 -12.020 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.943 -3.681 -13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.495 -4.082 -14.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.282 -4.967 -14.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.383 -6.239 -14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.849 -5.850 -12.889 1.00 0.00 H new ATOM 651 N PRO A 103 5.761 0.069 -12.241 1.00 0.00 N ATOM 652 CA PRO A 103 5.605 1.400 -11.576 1.00 0.00 C ATOM 653 C PRO A 103 4.167 1.691 -11.127 1.00 0.00 C ATOM 654 O PRO A 103 3.217 1.110 -11.611 1.00 0.00 O ATOM 655 CB PRO A 103 6.053 2.398 -12.654 1.00 0.00 C ATOM 656 CG PRO A 103 5.782 1.713 -13.956 1.00 0.00 C ATOM 657 CD PRO A 103 5.960 0.215 -13.699 1.00 0.00 C ATOM 0 HA PRO A 103 6.188 1.454 -10.657 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.500 3.334 -12.579 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.110 2.643 -12.550 1.00 0.00 H new ATOM 0 HG2 PRO A 103 4.773 1.930 -14.307 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.469 2.059 -14.728 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.235 -0.374 -14.261 1.00 0.00 H new ATOM 0 HD3 PRO A 103 6.950 -0.126 -14.002 1.00 0.00 H new ATOM 665 N ILE A 104 4.012 2.601 -10.207 1.00 0.00 N ATOM 666 CA ILE A 104 2.653 2.966 -9.722 1.00 0.00 C ATOM 667 C ILE A 104 1.854 3.606 -10.860 1.00 0.00 C ATOM 668 O ILE A 104 0.682 3.339 -11.040 1.00 0.00 O ATOM 669 CB ILE A 104 2.776 3.954 -8.553 1.00 0.00 C ATOM 670 CG1 ILE A 104 3.367 3.232 -7.338 1.00 0.00 C ATOM 671 CG2 ILE A 104 1.396 4.522 -8.200 1.00 0.00 C ATOM 672 CD1 ILE A 104 3.743 4.255 -6.263 1.00 0.00 C ATOM 0 H ILE A 104 4.777 3.112 -9.766 1.00 0.00 H new ATOM 0 HA ILE A 104 2.135 2.069 -9.383 1.00 0.00 H new ATOM 0 HB ILE A 104 3.432 4.775 -8.842 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.645 2.520 -6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.247 2.661 -7.634 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.492 5.222 -7.370 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.984 5.040 -9.066 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.730 3.708 -7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.163 3.738 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.481 4.950 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.853 4.806 -5.958 1.00 0.00 H new ATOM 684 N GLN A 105 2.479 4.469 -11.608 1.00 0.00 N ATOM 685 CA GLN A 105 1.770 5.161 -12.722 1.00 0.00 C ATOM 686 C GLN A 105 1.114 4.140 -13.657 1.00 0.00 C ATOM 687 O GLN A 105 0.211 4.466 -14.400 1.00 0.00 O ATOM 688 CB GLN A 105 2.775 5.999 -13.511 1.00 0.00 C ATOM 689 CG GLN A 105 2.022 6.905 -14.482 1.00 0.00 C ATOM 690 CD GLN A 105 3.016 7.805 -15.216 1.00 0.00 C ATOM 691 OE1 GLN A 105 4.141 7.968 -14.785 1.00 0.00 O ATOM 692 NE2 GLN A 105 2.648 8.404 -16.315 1.00 0.00 N ATOM 0 H GLN A 105 3.459 4.728 -11.496 1.00 0.00 H new ATOM 0 HA GLN A 105 0.994 5.802 -12.304 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.380 6.598 -12.831 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.459 5.349 -14.057 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.463 6.303 -15.198 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.296 7.512 -13.941 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.705 8.269 -16.678 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.304 9.008 -16.811 1.00 0.00 H new ATOM 701 N THR A 106 1.555 2.911 -13.633 1.00 0.00 N ATOM 702 CA THR A 106 0.947 1.880 -14.531 1.00 0.00 C ATOM 703 C THR A 106 -0.159 1.133 -13.781 1.00 0.00 C ATOM 704 O THR A 106 -0.823 0.277 -14.331 1.00 0.00 O ATOM 705 CB THR A 106 2.032 0.889 -14.975 1.00 0.00 C ATOM 706 OG1 THR A 106 2.856 0.566 -13.865 1.00 0.00 O ATOM 707 CG2 THR A 106 2.884 1.512 -16.081 1.00 0.00 C ATOM 0 H THR A 106 2.308 2.574 -13.033 1.00 0.00 H new ATOM 0 HA THR A 106 0.519 2.367 -15.408 1.00 0.00 H new ATOM 0 HB THR A 106 1.559 -0.016 -15.356 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.334 0.637 -13.039 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.652 0.804 -16.391 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.251 1.757 -16.934 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.358 2.420 -15.708 1.00 0.00 H new ATOM 715 N ILE A 107 -0.372 1.454 -12.533 1.00 0.00 N ATOM 716 CA ILE A 107 -1.449 0.767 -11.759 1.00 0.00 C ATOM 717 C ILE A 107 -2.793 1.429 -12.067 1.00 0.00 C ATOM 718 O ILE A 107 -2.939 2.632 -11.981 1.00 0.00 O ATOM 719 CB ILE A 107 -1.146 0.861 -10.260 1.00 0.00 C ATOM 720 CG1 ILE A 107 0.128 0.062 -9.963 1.00 0.00 C ATOM 721 CG2 ILE A 107 -2.319 0.289 -9.456 1.00 0.00 C ATOM 722 CD1 ILE A 107 0.540 0.240 -8.498 1.00 0.00 C ATOM 0 H ILE A 107 0.151 2.161 -12.016 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.493 -0.284 -12.044 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.002 1.904 -9.976 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.040 -0.994 -10.175 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.934 0.394 -10.617 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.098 0.358 -8.391 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.223 0.857 -9.677 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.471 -0.756 -9.728 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.446 -0.333 -8.303 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.728 1.295 -8.299 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.261 -0.115 -7.849 1.00 0.00 H new ATOM 734 N LYS A 108 -3.774 0.648 -12.443 1.00 0.00 N ATOM 735 CA LYS A 108 -5.118 1.215 -12.783 1.00 0.00 C ATOM 736 C LYS A 108 -6.107 0.989 -11.640 1.00 0.00 C ATOM 737 O LYS A 108 -5.834 0.287 -10.686 1.00 0.00 O ATOM 738 CB LYS A 108 -5.660 0.519 -14.030 1.00 0.00 C ATOM 739 CG LYS A 108 -4.799 0.889 -15.239 1.00 0.00 C ATOM 740 CD LYS A 108 -5.447 0.357 -16.525 1.00 0.00 C ATOM 741 CE LYS A 108 -5.320 -1.171 -16.605 1.00 0.00 C ATOM 742 NZ LYS A 108 -3.911 -1.578 -16.333 1.00 0.00 N ATOM 0 H LYS A 108 -3.702 -0.366 -12.530 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.004 2.285 -12.956 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.657 -0.561 -13.886 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.695 0.815 -14.203 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.687 1.972 -15.299 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.799 0.471 -15.126 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.499 0.641 -16.553 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.971 0.812 -17.393 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.989 -1.639 -15.882 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.624 -1.519 -17.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.691 -2.445 -16.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.267 -0.817 -16.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.791 -1.756 -15.315 1.00 0.00 H new ATOM 756 N LYS A 109 -7.264 1.581 -11.750 1.00 0.00 N ATOM 757 CA LYS A 109 -8.309 1.423 -10.702 1.00 0.00 C ATOM 758 C LYS A 109 -8.733 -0.045 -10.621 1.00 0.00 C ATOM 759 O LYS A 109 -8.938 -0.585 -9.551 1.00 0.00 O ATOM 760 CB LYS A 109 -9.519 2.280 -11.081 1.00 0.00 C ATOM 761 CG LYS A 109 -9.146 3.762 -10.977 1.00 0.00 C ATOM 762 CD LYS A 109 -10.308 4.630 -11.481 1.00 0.00 C ATOM 763 CE LYS A 109 -11.419 4.698 -10.426 1.00 0.00 C ATOM 764 NZ LYS A 109 -12.396 5.757 -10.807 1.00 0.00 N ATOM 0 H LYS A 109 -7.533 2.176 -12.534 1.00 0.00 H new ATOM 0 HA LYS A 109 -7.916 1.738 -9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -9.841 2.045 -12.095 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.357 2.057 -10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -8.913 4.016 -9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.250 3.962 -11.564 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.949 5.634 -11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.703 4.217 -12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.922 3.734 -10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.993 4.915 -9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.151 5.806 -10.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.910 6.675 -10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.810 5.530 -11.734 1.00 0.00 H new ATOM 778 N HIS A 110 -8.868 -0.694 -11.745 1.00 0.00 N ATOM 779 CA HIS A 110 -9.280 -2.128 -11.739 1.00 0.00 C ATOM 780 C HIS A 110 -8.249 -2.944 -10.962 1.00 0.00 C ATOM 781 O HIS A 110 -8.585 -3.766 -10.133 1.00 0.00 O ATOM 782 CB HIS A 110 -9.351 -2.636 -13.182 1.00 0.00 C ATOM 783 CG HIS A 110 -9.832 -4.060 -13.192 1.00 0.00 C ATOM 784 ND1 HIS A 110 -8.973 -5.131 -13.015 1.00 0.00 N ATOM 785 CD2 HIS A 110 -11.082 -4.604 -13.362 1.00 0.00 C ATOM 786 CE1 HIS A 110 -9.708 -6.256 -13.081 1.00 0.00 C ATOM 787 NE2 HIS A 110 -11.000 -5.992 -13.291 1.00 0.00 N ATOM 0 H HIS A 110 -8.711 -0.293 -12.670 1.00 0.00 H new ATOM 0 HA HIS A 110 -10.257 -2.231 -11.267 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.025 -2.010 -13.766 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -8.369 -2.570 -13.650 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -11.989 -4.041 -13.526 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -9.302 -7.251 -12.977 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -11.763 -6.663 -13.380 1.00 0.00 H new ATOM 795 N ASP A 111 -6.993 -2.714 -11.221 1.00 0.00 N ATOM 796 CA ASP A 111 -5.928 -3.463 -10.502 1.00 0.00 C ATOM 797 C ASP A 111 -5.979 -3.105 -9.017 1.00 0.00 C ATOM 798 O ASP A 111 -5.766 -3.938 -8.157 1.00 0.00 O ATOM 799 CB ASP A 111 -4.567 -3.075 -11.081 1.00 0.00 C ATOM 800 CG ASP A 111 -3.464 -3.855 -10.367 1.00 0.00 C ATOM 801 OD1 ASP A 111 -3.774 -4.537 -9.405 1.00 0.00 O ATOM 802 OD2 ASP A 111 -2.326 -3.761 -10.799 1.00 0.00 O ATOM 0 H ASP A 111 -6.657 -2.035 -11.904 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.080 -4.536 -10.621 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.542 -3.286 -12.150 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.403 -2.004 -10.964 1.00 0.00 H new ATOM 807 N TYR A 112 -6.262 -1.869 -8.710 1.00 0.00 N ATOM 808 CA TYR A 112 -6.331 -1.445 -7.285 1.00 0.00 C ATOM 809 C TYR A 112 -7.417 -2.252 -6.575 1.00 0.00 C ATOM 810 O TYR A 112 -7.236 -2.722 -5.470 1.00 0.00 O ATOM 811 CB TYR A 112 -6.673 0.045 -7.215 1.00 0.00 C ATOM 812 CG TYR A 112 -6.707 0.489 -5.773 1.00 0.00 C ATOM 813 CD1 TYR A 112 -7.858 0.288 -5.003 1.00 0.00 C ATOM 814 CD2 TYR A 112 -5.584 1.105 -5.205 1.00 0.00 C ATOM 815 CE1 TYR A 112 -7.888 0.706 -3.667 1.00 0.00 C ATOM 816 CE2 TYR A 112 -5.615 1.522 -3.870 1.00 0.00 C ATOM 817 CZ TYR A 112 -6.765 1.320 -3.100 1.00 0.00 C ATOM 818 OH TYR A 112 -6.796 1.730 -1.783 1.00 0.00 O ATOM 0 H TYR A 112 -6.449 -1.131 -9.389 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.370 -1.619 -6.801 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.933 0.625 -7.767 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.639 0.229 -7.686 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -8.723 -0.189 -5.439 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -4.694 1.258 -5.798 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -8.778 0.555 -3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -4.750 2.000 -3.434 1.00 0.00 H new ATOM 0 HH TYR A 112 -6.663 2.700 -1.739 1.00 0.00 H new ATOM 828 N GLN A 113 -8.550 -2.415 -7.205 1.00 0.00 N ATOM 829 CA GLN A 113 -9.653 -3.192 -6.575 1.00 0.00 C ATOM 830 C GLN A 113 -9.198 -4.638 -6.371 1.00 0.00 C ATOM 831 O GLN A 113 -9.504 -5.262 -5.375 1.00 0.00 O ATOM 832 CB GLN A 113 -10.884 -3.153 -7.492 1.00 0.00 C ATOM 833 CG GLN A 113 -12.009 -4.021 -6.914 1.00 0.00 C ATOM 834 CD GLN A 113 -12.339 -3.564 -5.491 1.00 0.00 C ATOM 835 OE1 GLN A 113 -11.656 -3.921 -4.551 1.00 0.00 O ATOM 836 NE2 GLN A 113 -13.362 -2.782 -5.290 1.00 0.00 N ATOM 0 H GLN A 113 -8.758 -2.042 -8.131 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.911 -2.758 -5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.230 -2.125 -7.604 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.616 -3.509 -8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.896 -3.949 -7.544 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -11.706 -5.068 -6.908 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -13.936 -2.481 -6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -13.588 -2.471 -4.345 1.00 0.00 H new ATOM 845 N ARG A 114 -8.463 -5.172 -7.308 1.00 0.00 N ATOM 846 CA ARG A 114 -7.979 -6.575 -7.173 1.00 0.00 C ATOM 847 C ARG A 114 -7.109 -6.686 -5.921 1.00 0.00 C ATOM 848 O ARG A 114 -7.217 -7.622 -5.154 1.00 0.00 O ATOM 849 CB ARG A 114 -7.152 -6.938 -8.411 1.00 0.00 C ATOM 850 CG ARG A 114 -6.706 -8.398 -8.325 1.00 0.00 C ATOM 851 CD ARG A 114 -5.917 -8.764 -9.586 1.00 0.00 C ATOM 852 NE ARG A 114 -6.834 -8.758 -10.762 1.00 0.00 N ATOM 853 CZ ARG A 114 -6.374 -9.020 -11.956 1.00 0.00 C ATOM 854 NH1 ARG A 114 -5.104 -9.285 -12.126 1.00 0.00 N ATOM 855 NH2 ARG A 114 -7.180 -9.014 -12.981 1.00 0.00 N ATOM 0 H ARG A 114 -8.176 -4.696 -8.163 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.825 -7.257 -7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.743 -6.781 -9.313 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -6.282 -6.286 -8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -6.089 -8.550 -7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -7.574 -9.050 -8.224 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -5.105 -8.053 -9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -5.461 -9.748 -9.471 1.00 0.00 H new ATOM 0 HE ARG A 114 -7.824 -8.549 -10.633 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.472 -9.287 -11.325 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.746 -9.489 -13.059 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -8.170 -8.805 -12.850 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -6.821 -9.219 -13.913 1.00 0.00 H new ATOM 869 N PHE A 115 -6.255 -5.725 -5.709 1.00 0.00 N ATOM 870 CA PHE A 115 -5.372 -5.746 -4.510 1.00 0.00 C ATOM 871 C PHE A 115 -6.228 -5.725 -3.241 1.00 0.00 C ATOM 872 O PHE A 115 -5.969 -6.443 -2.296 1.00 0.00 O ATOM 873 CB PHE A 115 -4.460 -4.516 -4.547 1.00 0.00 C ATOM 874 CG PHE A 115 -3.671 -4.419 -3.262 1.00 0.00 C ATOM 875 CD1 PHE A 115 -2.700 -5.384 -2.961 1.00 0.00 C ATOM 876 CD2 PHE A 115 -3.908 -3.364 -2.370 1.00 0.00 C ATOM 877 CE1 PHE A 115 -1.969 -5.290 -1.773 1.00 0.00 C ATOM 878 CE2 PHE A 115 -3.175 -3.271 -1.184 1.00 0.00 C ATOM 879 CZ PHE A 115 -2.205 -4.234 -0.884 1.00 0.00 C ATOM 0 H PHE A 115 -6.130 -4.918 -6.321 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.765 -6.652 -4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.780 -4.582 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.057 -3.615 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.517 -6.199 -3.646 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.658 -2.622 -2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.221 -6.033 -1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.357 -2.456 -0.499 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.639 -4.163 0.033 1.00 0.00 H new ATOM 889 N VAL A 116 -7.243 -4.906 -3.212 1.00 0.00 N ATOM 890 CA VAL A 116 -8.112 -4.827 -2.004 1.00 0.00 C ATOM 891 C VAL A 116 -8.739 -6.199 -1.740 1.00 0.00 C ATOM 892 O VAL A 116 -8.754 -6.682 -0.625 1.00 0.00 O ATOM 893 CB VAL A 116 -9.225 -3.804 -2.260 1.00 0.00 C ATOM 894 CG1 VAL A 116 -10.223 -3.820 -1.101 1.00 0.00 C ATOM 895 CG2 VAL A 116 -8.613 -2.407 -2.387 1.00 0.00 C ATOM 0 H VAL A 116 -7.509 -4.285 -3.976 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.520 -4.525 -1.140 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.744 -4.062 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -11.011 -3.091 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -10.662 -4.814 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.708 -3.567 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -9.403 -1.679 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -8.091 -2.153 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -7.908 -2.393 -3.218 1.00 0.00 H new ATOM 905 N ASP A 117 -9.253 -6.828 -2.759 1.00 0.00 N ATOM 906 CA ASP A 117 -9.880 -8.168 -2.579 1.00 0.00 C ATOM 907 C ASP A 117 -8.815 -9.191 -2.172 1.00 0.00 C ATOM 908 O ASP A 117 -9.073 -10.102 -1.410 1.00 0.00 O ATOM 909 CB ASP A 117 -10.533 -8.601 -3.894 1.00 0.00 C ATOM 910 CG ASP A 117 -11.797 -7.773 -4.130 1.00 0.00 C ATOM 911 OD1 ASP A 117 -12.191 -7.058 -3.223 1.00 0.00 O ATOM 912 OD2 ASP A 117 -12.349 -7.863 -5.214 1.00 0.00 O ATOM 0 H ASP A 117 -9.266 -6.470 -3.714 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.636 -8.111 -1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.836 -8.465 -4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -10.781 -9.662 -3.858 1.00 0.00 H new ATOM 917 N ASP A 118 -7.624 -9.057 -2.690 1.00 0.00 N ATOM 918 CA ASP A 118 -6.543 -10.029 -2.351 1.00 0.00 C ATOM 919 C ASP A 118 -6.245 -9.981 -0.850 1.00 0.00 C ATOM 920 O ASP A 118 -6.096 -11.001 -0.207 1.00 0.00 O ATOM 921 CB ASP A 118 -5.276 -9.663 -3.129 1.00 0.00 C ATOM 922 CG ASP A 118 -5.466 -10.000 -4.609 1.00 0.00 C ATOM 923 OD1 ASP A 118 -6.394 -10.732 -4.916 1.00 0.00 O ATOM 924 OD2 ASP A 118 -4.683 -9.521 -5.412 1.00 0.00 O ATOM 0 H ASP A 118 -7.352 -8.315 -3.335 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.868 -11.034 -2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -5.060 -8.601 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.421 -10.208 -2.729 1.00 0.00 H new ATOM 929 N ILE A 119 -6.149 -8.808 -0.286 1.00 0.00 N ATOM 930 CA ILE A 119 -5.852 -8.704 1.173 1.00 0.00 C ATOM 931 C ILE A 119 -7.111 -9.021 1.982 1.00 0.00 C ATOM 932 O ILE A 119 -7.040 -9.452 3.117 1.00 0.00 O ATOM 933 CB ILE A 119 -5.370 -7.284 1.494 1.00 0.00 C ATOM 934 CG1 ILE A 119 -6.426 -6.266 1.051 1.00 0.00 C ATOM 935 CG2 ILE A 119 -4.059 -7.011 0.752 1.00 0.00 C ATOM 936 CD1 ILE A 119 -6.014 -4.866 1.513 1.00 0.00 C ATOM 0 H ILE A 119 -6.263 -7.918 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.073 -9.419 1.437 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.209 -7.193 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.532 -6.286 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.397 -6.528 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.716 -6.002 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.305 -7.731 1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -4.222 -7.105 -0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.766 -4.143 1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -5.930 -4.851 2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -5.052 -4.606 1.071 1.00 0.00 H new ATOM 948 N SER A 120 -8.263 -8.805 1.412 1.00 0.00 N ATOM 949 CA SER A 120 -9.526 -9.088 2.150 1.00 0.00 C ATOM 950 C SER A 120 -9.627 -10.590 2.415 1.00 0.00 C ATOM 951 O SER A 120 -10.152 -11.021 3.422 1.00 0.00 O ATOM 952 CB SER A 120 -10.720 -8.641 1.307 1.00 0.00 C ATOM 953 OG SER A 120 -10.779 -9.432 0.129 1.00 0.00 O ATOM 0 H SER A 120 -8.385 -8.444 0.466 1.00 0.00 H new ATOM 0 HA SER A 120 -9.526 -8.546 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 120 -11.643 -8.746 1.877 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.624 -7.587 1.048 1.00 0.00 H new ATOM 0 HG SER A 120 -9.882 -9.759 -0.091 1.00 0.00 H new ATOM 959 N ALA A 121 -9.130 -11.389 1.512 1.00 0.00 N ATOM 960 CA ALA A 121 -9.195 -12.866 1.701 1.00 0.00 C ATOM 961 C ALA A 121 -8.051 -13.309 2.611 1.00 0.00 C ATOM 962 O ALA A 121 -7.999 -14.439 3.053 1.00 0.00 O ATOM 963 CB ALA A 121 -9.061 -13.553 0.341 1.00 0.00 C ATOM 0 H ALA A 121 -8.681 -11.082 0.649 1.00 0.00 H new ATOM 0 HA ALA A 121 -10.147 -13.138 2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.108 -14.634 0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.873 -13.232 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.106 -13.284 -0.110 1.00 0.00 H new ATOM 969 N GLN A 122 -7.132 -12.421 2.894 1.00 0.00 N ATOM 970 CA GLN A 122 -5.974 -12.762 3.779 1.00 0.00 C ATOM 971 C GLN A 122 -6.083 -11.973 5.084 1.00 0.00 C ATOM 972 O GLN A 122 -5.468 -12.312 6.077 1.00 0.00 O ATOM 973 CB GLN A 122 -4.669 -12.393 3.067 1.00 0.00 C ATOM 974 CG GLN A 122 -4.459 -13.329 1.875 1.00 0.00 C ATOM 975 CD GLN A 122 -3.189 -12.927 1.123 1.00 0.00 C ATOM 976 OE1 GLN A 122 -2.492 -12.017 1.527 1.00 0.00 O ATOM 977 NE2 GLN A 122 -2.856 -13.573 0.039 1.00 0.00 N ATOM 0 H GLN A 122 -7.134 -11.462 2.546 1.00 0.00 H new ATOM 0 HA GLN A 122 -5.982 -13.830 3.999 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.707 -11.358 2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -3.830 -12.472 3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.379 -14.360 2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.319 -13.282 1.207 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.441 -14.337 -0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.010 -13.314 -0.469 1.00 0.00 H new ATOM 986 N TYR A 123 -6.856 -10.913 5.091 1.00 0.00 N ATOM 987 CA TYR A 123 -7.006 -10.085 6.332 1.00 0.00 C ATOM 988 C TYR A 123 -8.481 -9.749 6.562 1.00 0.00 C ATOM 989 O TYR A 123 -9.278 -9.710 5.645 1.00 0.00 O ATOM 990 CB TYR A 123 -6.206 -8.793 6.180 1.00 0.00 C ATOM 991 CG TYR A 123 -4.743 -9.131 6.038 1.00 0.00 C ATOM 992 CD1 TYR A 123 -3.961 -9.342 7.181 1.00 0.00 C ATOM 993 CD2 TYR A 123 -4.168 -9.234 4.767 1.00 0.00 C ATOM 994 CE1 TYR A 123 -2.603 -9.658 7.050 1.00 0.00 C ATOM 995 CE2 TYR A 123 -2.810 -9.549 4.637 1.00 0.00 C ATOM 996 CZ TYR A 123 -2.028 -9.758 5.778 1.00 0.00 C ATOM 997 OH TYR A 123 -0.689 -10.066 5.650 1.00 0.00 O ATOM 0 H TYR A 123 -7.392 -10.584 4.288 1.00 0.00 H new ATOM 0 HA TYR A 123 -6.632 -10.649 7.186 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -6.550 -8.238 5.307 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -6.361 -8.151 7.047 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -4.405 -9.261 8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -4.771 -9.071 3.886 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -2.000 -9.824 7.930 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -2.366 -9.631 3.656 1.00 0.00 H new ATOM 0 HH TYR A 123 -0.450 -10.098 4.700 1.00 0.00 H new ATOM 1007 N SER A 124 -8.845 -9.511 7.791 1.00 0.00 N ATOM 1008 CA SER A 124 -10.261 -9.185 8.120 1.00 0.00 C ATOM 1009 C SER A 124 -10.653 -7.833 7.521 1.00 0.00 C ATOM 1010 O SER A 124 -9.820 -7.057 7.096 1.00 0.00 O ATOM 1011 CB SER A 124 -10.421 -9.122 9.637 1.00 0.00 C ATOM 1012 OG SER A 124 -11.659 -8.499 9.953 1.00 0.00 O ATOM 0 H SER A 124 -8.213 -9.529 8.592 1.00 0.00 H new ATOM 0 HA SER A 124 -10.906 -9.958 7.703 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.388 -10.126 10.060 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.596 -8.563 10.078 1.00 0.00 H new ATOM 0 HG SER A 124 -11.766 -8.458 10.926 1.00 0.00 H new ATOM 1018 N LYS A 125 -11.928 -7.553 7.492 1.00 0.00 N ATOM 1019 CA LYS A 125 -12.416 -6.262 6.930 1.00 0.00 C ATOM 1020 C LYS A 125 -11.862 -5.095 7.755 1.00 0.00 C ATOM 1021 O LYS A 125 -11.527 -4.051 7.228 1.00 0.00 O ATOM 1022 CB LYS A 125 -13.948 -6.240 6.988 1.00 0.00 C ATOM 1023 CG LYS A 125 -14.513 -7.295 6.032 1.00 0.00 C ATOM 1024 CD LYS A 125 -16.039 -7.164 5.948 1.00 0.00 C ATOM 1025 CE LYS A 125 -16.685 -7.587 7.273 1.00 0.00 C ATOM 1026 NZ LYS A 125 -18.140 -7.824 7.058 1.00 0.00 N ATOM 0 H LYS A 125 -12.661 -8.172 7.838 1.00 0.00 H new ATOM 0 HA LYS A 125 -12.080 -6.164 5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.286 -6.438 8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -14.318 -5.252 6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -14.074 -7.172 5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -14.244 -8.293 6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -16.310 -6.134 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -16.420 -7.784 5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -16.209 -8.492 7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -16.538 -6.813 8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -18.581 -8.111 7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -18.587 -6.950 6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -18.269 -8.577 6.352 1.00 0.00 H new ATOM 1040 N ASN A 126 -11.781 -5.261 9.046 1.00 0.00 N ATOM 1041 CA ASN A 126 -11.269 -4.161 9.915 1.00 0.00 C ATOM 1042 C ASN A 126 -9.825 -3.822 9.534 1.00 0.00 C ATOM 1043 O ASN A 126 -9.446 -2.669 9.470 1.00 0.00 O ATOM 1044 CB ASN A 126 -11.309 -4.624 11.375 1.00 0.00 C ATOM 1045 CG ASN A 126 -12.763 -4.759 11.836 1.00 0.00 C ATOM 1046 OD1 ASN A 126 -13.026 -5.274 12.905 1.00 0.00 O ATOM 1047 ND2 ASN A 126 -13.729 -4.333 11.066 1.00 0.00 N ATOM 0 H ASN A 126 -12.048 -6.113 9.539 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.890 -3.275 9.783 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.795 -5.580 11.477 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -10.782 -3.909 12.007 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -14.700 -4.433 11.363 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -13.512 -3.900 10.168 1.00 0.00 H new ATOM 1054 N TYR A 127 -9.019 -4.814 9.280 1.00 0.00 N ATOM 1055 CA TYR A 127 -7.597 -4.558 8.903 1.00 0.00 C ATOM 1056 C TYR A 127 -7.533 -3.928 7.506 1.00 0.00 C ATOM 1057 O TYR A 127 -6.661 -3.134 7.212 1.00 0.00 O ATOM 1058 CB TYR A 127 -6.825 -5.883 8.918 1.00 0.00 C ATOM 1059 CG TYR A 127 -6.500 -6.264 10.348 1.00 0.00 C ATOM 1060 CD1 TYR A 127 -7.530 -6.624 11.228 1.00 0.00 C ATOM 1061 CD2 TYR A 127 -5.172 -6.260 10.793 1.00 0.00 C ATOM 1062 CE1 TYR A 127 -7.231 -6.976 12.550 1.00 0.00 C ATOM 1063 CE2 TYR A 127 -4.873 -6.613 12.115 1.00 0.00 C ATOM 1064 CZ TYR A 127 -5.904 -6.971 12.993 1.00 0.00 C ATOM 1065 OH TYR A 127 -5.609 -7.320 14.295 1.00 0.00 O ATOM 0 H TYR A 127 -9.284 -5.798 9.317 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.148 -3.869 9.618 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -7.419 -6.667 8.448 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.907 -5.787 8.338 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -8.555 -6.630 10.886 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.377 -5.984 10.116 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -8.025 -7.251 13.228 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -3.849 -6.609 12.457 1.00 0.00 H new ATOM 0 HH TYR A 127 -4.641 -7.265 14.437 1.00 0.00 H new ATOM 1075 N VAL A 128 -8.445 -4.284 6.644 1.00 0.00 N ATOM 1076 CA VAL A 128 -8.441 -3.719 5.263 1.00 0.00 C ATOM 1077 C VAL A 128 -8.598 -2.197 5.326 1.00 0.00 C ATOM 1078 O VAL A 128 -7.928 -1.465 4.623 1.00 0.00 O ATOM 1079 CB VAL A 128 -9.610 -4.324 4.472 1.00 0.00 C ATOM 1080 CG1 VAL A 128 -9.777 -3.585 3.139 1.00 0.00 C ATOM 1081 CG2 VAL A 128 -9.332 -5.808 4.199 1.00 0.00 C ATOM 0 H VAL A 128 -9.197 -4.945 6.837 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.498 -3.960 4.772 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.525 -4.224 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -10.608 -4.020 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -9.980 -2.531 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -8.862 -3.678 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.162 -6.236 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.414 -5.906 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.222 -6.338 5.145 1.00 0.00 H new ATOM 1091 N ASP A 129 -9.486 -1.718 6.149 1.00 0.00 N ATOM 1092 CA ASP A 129 -9.700 -0.247 6.242 1.00 0.00 C ATOM 1093 C ASP A 129 -8.375 0.455 6.550 1.00 0.00 C ATOM 1094 O ASP A 129 -8.004 1.412 5.898 1.00 0.00 O ATOM 1095 CB ASP A 129 -10.699 0.035 7.366 1.00 0.00 C ATOM 1096 CG ASP A 129 -10.936 1.540 7.483 1.00 0.00 C ATOM 1097 OD1 ASP A 129 -10.252 2.282 6.800 1.00 0.00 O ATOM 1098 OD2 ASP A 129 -11.800 1.925 8.254 1.00 0.00 O ATOM 0 H ASP A 129 -10.074 -2.282 6.763 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.087 0.127 5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.641 -0.476 7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.319 -0.357 8.309 1.00 0.00 H new ATOM 1103 N SER A 130 -7.656 -0.009 7.533 1.00 0.00 N ATOM 1104 CA SER A 130 -6.355 0.633 7.874 1.00 0.00 C ATOM 1105 C SER A 130 -5.384 0.490 6.697 1.00 0.00 C ATOM 1106 O SER A 130 -4.659 1.404 6.361 1.00 0.00 O ATOM 1107 CB SER A 130 -5.768 -0.041 9.114 1.00 0.00 C ATOM 1108 OG SER A 130 -6.681 0.097 10.195 1.00 0.00 O ATOM 0 H SER A 130 -7.913 -0.806 8.116 1.00 0.00 H new ATOM 0 HA SER A 130 -6.514 1.692 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 130 -5.578 -1.096 8.914 1.00 0.00 H new ATOM 0 HB3 SER A 130 -4.810 0.412 9.370 1.00 0.00 H new ATOM 0 HG SER A 130 -6.311 -0.335 10.993 1.00 0.00 H new ATOM 1114 N ILE A 131 -5.365 -0.658 6.073 1.00 0.00 N ATOM 1115 CA ILE A 131 -4.443 -0.876 4.920 1.00 0.00 C ATOM 1116 C ILE A 131 -4.820 0.065 3.772 1.00 0.00 C ATOM 1117 O ILE A 131 -3.969 0.653 3.133 1.00 0.00 O ATOM 1118 CB ILE A 131 -4.547 -2.332 4.457 1.00 0.00 C ATOM 1119 CG1 ILE A 131 -3.975 -3.249 5.542 1.00 0.00 C ATOM 1120 CG2 ILE A 131 -3.749 -2.521 3.164 1.00 0.00 C ATOM 1121 CD1 ILE A 131 -4.332 -4.702 5.225 1.00 0.00 C ATOM 0 H ILE A 131 -5.951 -1.457 6.313 1.00 0.00 H new ATOM 0 HA ILE A 131 -3.418 -0.667 5.227 1.00 0.00 H new ATOM 0 HB ILE A 131 -5.593 -2.580 4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.893 -3.133 5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.375 -2.970 6.517 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.825 -3.558 2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -4.150 -1.867 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.703 -2.273 3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.924 -5.354 5.998 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.416 -4.812 5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.910 -4.978 4.258 1.00 0.00 H new ATOM 1133 N VAL A 132 -6.088 0.208 3.500 1.00 0.00 N ATOM 1134 CA VAL A 132 -6.521 1.105 2.391 1.00 0.00 C ATOM 1135 C VAL A 132 -6.036 2.527 2.675 1.00 0.00 C ATOM 1136 O VAL A 132 -5.525 3.205 1.805 1.00 0.00 O ATOM 1137 CB VAL A 132 -8.054 1.091 2.298 1.00 0.00 C ATOM 1138 CG1 VAL A 132 -8.530 2.191 1.344 1.00 0.00 C ATOM 1139 CG2 VAL A 132 -8.521 -0.272 1.774 1.00 0.00 C ATOM 0 H VAL A 132 -6.845 -0.259 3.999 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.097 0.759 1.448 1.00 0.00 H new ATOM 0 HB VAL A 132 -8.473 1.268 3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -9.618 2.174 1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -8.202 3.162 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -8.109 2.021 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -9.609 -0.283 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -8.095 -0.447 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -8.191 -1.056 2.455 1.00 0.00 H new ATOM 1149 N ALA A 133 -6.192 2.987 3.884 1.00 0.00 N ATOM 1150 CA ALA A 133 -5.742 4.364 4.222 1.00 0.00 C ATOM 1151 C ALA A 133 -4.248 4.499 3.919 1.00 0.00 C ATOM 1152 O ALA A 133 -3.808 5.460 3.321 1.00 0.00 O ATOM 1153 CB ALA A 133 -5.988 4.619 5.711 1.00 0.00 C ATOM 0 H ALA A 133 -6.613 2.467 4.654 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.298 5.090 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -5.661 5.627 5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -7.052 4.517 5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -5.427 3.895 6.302 1.00 0.00 H new ATOM 1159 N SER A 134 -3.469 3.537 4.327 1.00 0.00 N ATOM 1160 CA SER A 134 -2.001 3.593 4.067 1.00 0.00 C ATOM 1161 C SER A 134 -1.737 3.570 2.560 1.00 0.00 C ATOM 1162 O SER A 134 -0.903 4.294 2.053 1.00 0.00 O ATOM 1163 CB SER A 134 -1.334 2.382 4.718 1.00 0.00 C ATOM 1164 OG SER A 134 0.063 2.428 4.475 1.00 0.00 O ATOM 0 H SER A 134 -3.786 2.710 4.832 1.00 0.00 H new ATOM 0 HA SER A 134 -1.593 4.513 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.528 2.379 5.791 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.755 1.461 4.315 1.00 0.00 H new ATOM 0 HG SER A 134 0.372 3.357 4.518 1.00 0.00 H new ATOM 1170 N THR A 135 -2.437 2.736 1.844 1.00 0.00 N ATOM 1171 CA THR A 135 -2.228 2.642 0.369 1.00 0.00 C ATOM 1172 C THR A 135 -2.558 3.982 -0.290 1.00 0.00 C ATOM 1173 O THR A 135 -1.851 4.449 -1.161 1.00 0.00 O ATOM 1174 CB THR A 135 -3.145 1.557 -0.200 1.00 0.00 C ATOM 1175 OG1 THR A 135 -3.024 0.377 0.585 1.00 0.00 O ATOM 1176 CG2 THR A 135 -2.744 1.253 -1.643 1.00 0.00 C ATOM 0 H THR A 135 -3.150 2.110 2.218 1.00 0.00 H new ATOM 0 HA THR A 135 -1.187 2.391 0.167 1.00 0.00 H new ATOM 0 HB THR A 135 -4.178 1.905 -0.178 1.00 0.00 H new ATOM 0 HG1 THR A 135 -3.518 0.490 1.424 1.00 0.00 H new ATOM 0 HG21 THR A 135 -3.398 0.480 -2.047 1.00 0.00 H new ATOM 0 HG22 THR A 135 -2.836 2.157 -2.244 1.00 0.00 H new ATOM 0 HG23 THR A 135 -1.712 0.904 -1.668 1.00 0.00 H new ATOM 1184 N ASN A 136 -3.638 4.595 0.107 1.00 0.00 N ATOM 1185 CA ASN A 136 -4.032 5.898 -0.505 1.00 0.00 C ATOM 1186 C ASN A 136 -2.948 6.950 -0.250 1.00 0.00 C ATOM 1187 O ASN A 136 -2.641 7.755 -1.107 1.00 0.00 O ATOM 1188 CB ASN A 136 -5.355 6.361 0.112 1.00 0.00 C ATOM 1189 CG ASN A 136 -6.492 5.467 -0.389 1.00 0.00 C ATOM 1190 OD1 ASN A 136 -6.348 4.780 -1.380 1.00 0.00 O ATOM 1191 ND2 ASN A 136 -7.622 5.443 0.263 1.00 0.00 N ATOM 0 H ASN A 136 -4.268 4.250 0.831 1.00 0.00 H new ATOM 0 HA ASN A 136 -4.150 5.771 -1.581 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -5.296 6.318 1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -5.550 7.400 -0.156 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -8.384 4.847 -0.060 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -7.743 6.020 1.095 1.00 0.00 H new ATOM 1198 N MET A 137 -2.374 6.958 0.920 1.00 0.00 N ATOM 1199 CA MET A 137 -1.319 7.966 1.228 1.00 0.00 C ATOM 1200 C MET A 137 -0.100 7.752 0.323 1.00 0.00 C ATOM 1201 O MET A 137 0.507 8.692 -0.147 1.00 0.00 O ATOM 1202 CB MET A 137 -0.894 7.811 2.694 1.00 0.00 C ATOM 1203 CG MET A 137 -1.979 8.393 3.609 1.00 0.00 C ATOM 1204 SD MET A 137 -2.042 10.195 3.426 1.00 0.00 S ATOM 1205 CE MET A 137 -0.703 10.601 4.578 1.00 0.00 C ATOM 0 H MET A 137 -2.589 6.310 1.678 1.00 0.00 H new ATOM 0 HA MET A 137 -1.717 8.966 1.055 1.00 0.00 H new ATOM 0 HB2 MET A 137 -0.734 6.758 2.927 1.00 0.00 H new ATOM 0 HB3 MET A 137 0.053 8.323 2.865 1.00 0.00 H new ATOM 0 HG2 MET A 137 -2.948 7.960 3.360 1.00 0.00 H new ATOM 0 HG3 MET A 137 -1.770 8.132 4.646 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.119 11.076 5.467 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.181 9.688 4.865 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.003 11.284 4.096 1.00 0.00 H new ATOM 1215 N ILE A 138 0.272 6.523 0.086 1.00 0.00 N ATOM 1216 CA ILE A 138 1.463 6.255 -0.770 1.00 0.00 C ATOM 1217 C ILE A 138 1.208 6.755 -2.198 1.00 0.00 C ATOM 1218 O ILE A 138 2.054 7.381 -2.807 1.00 0.00 O ATOM 1219 CB ILE A 138 1.729 4.745 -0.791 1.00 0.00 C ATOM 1220 CG1 ILE A 138 2.183 4.295 0.601 1.00 0.00 C ATOM 1221 CG2 ILE A 138 2.823 4.422 -1.812 1.00 0.00 C ATOM 1222 CD1 ILE A 138 2.179 2.767 0.677 1.00 0.00 C ATOM 0 H ILE A 138 -0.197 5.693 0.448 1.00 0.00 H new ATOM 0 HA ILE A 138 2.329 6.779 -0.365 1.00 0.00 H new ATOM 0 HB ILE A 138 0.815 4.221 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.183 4.676 0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 138 1.520 4.708 1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 138 3.006 3.348 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.502 4.744 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 138 3.740 4.944 -1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.503 2.451 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.172 2.396 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 138 2.860 2.364 -0.072 1.00 0.00 H new ATOM 1234 N PHE A 139 0.054 6.481 -2.737 1.00 0.00 N ATOM 1235 CA PHE A 139 -0.254 6.935 -4.124 1.00 0.00 C ATOM 1236 C PHE A 139 -0.395 8.458 -4.142 1.00 0.00 C ATOM 1237 O PHE A 139 0.117 9.132 -5.014 1.00 0.00 O ATOM 1238 CB PHE A 139 -1.564 6.280 -4.590 1.00 0.00 C ATOM 1239 CG PHE A 139 -1.304 4.845 -5.011 1.00 0.00 C ATOM 1240 CD1 PHE A 139 -0.752 3.930 -4.100 1.00 0.00 C ATOM 1241 CD2 PHE A 139 -1.609 4.429 -6.315 1.00 0.00 C ATOM 1242 CE1 PHE A 139 -0.512 2.609 -4.491 1.00 0.00 C ATOM 1243 CE2 PHE A 139 -1.368 3.105 -6.702 1.00 0.00 C ATOM 1244 CZ PHE A 139 -0.817 2.196 -5.790 1.00 0.00 C ATOM 0 H PHE A 139 -0.693 5.961 -2.277 1.00 0.00 H new ATOM 0 HA PHE A 139 0.553 6.645 -4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -2.299 6.304 -3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -1.985 6.842 -5.424 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -0.512 4.247 -3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -2.030 5.130 -7.021 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -0.090 1.907 -3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -1.607 2.784 -7.705 1.00 0.00 H new ATOM 0 HZ PHE A 139 -0.628 1.176 -6.091 1.00 0.00 H new ATOM 1254 N LYS A 140 -1.092 9.004 -3.183 1.00 0.00 N ATOM 1255 CA LYS A 140 -1.273 10.481 -3.136 1.00 0.00 C ATOM 1256 C LYS A 140 0.074 11.157 -2.884 1.00 0.00 C ATOM 1257 O LYS A 140 0.395 12.169 -3.473 1.00 0.00 O ATOM 1258 CB LYS A 140 -2.244 10.834 -2.007 1.00 0.00 C ATOM 1259 CG LYS A 140 -2.535 12.335 -2.037 1.00 0.00 C ATOM 1260 CD LYS A 140 -3.576 12.675 -0.970 1.00 0.00 C ATOM 1261 CE LYS A 140 -3.889 14.171 -1.021 1.00 0.00 C ATOM 1262 NZ LYS A 140 -2.690 14.947 -0.597 1.00 0.00 N ATOM 0 H LYS A 140 -1.545 8.488 -2.428 1.00 0.00 H new ATOM 0 HA LYS A 140 -1.676 10.829 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -3.170 10.271 -2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -1.816 10.555 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -1.619 12.897 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -2.900 12.626 -3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.485 12.097 -1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -3.202 12.404 0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -4.182 14.457 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -4.732 14.399 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -2.967 15.927 -0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -2.279 14.513 0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -1.986 14.943 -1.362 1.00 0.00 H new ATOM 1276 N TYR A 141 0.865 10.605 -2.002 1.00 0.00 N ATOM 1277 CA TYR A 141 2.190 11.215 -1.699 1.00 0.00 C ATOM 1278 C TYR A 141 3.035 11.244 -2.971 1.00 0.00 C ATOM 1279 O TYR A 141 3.663 12.234 -3.289 1.00 0.00 O ATOM 1280 CB TYR A 141 2.905 10.382 -0.634 1.00 0.00 C ATOM 1281 CG TYR A 141 4.245 11.005 -0.329 1.00 0.00 C ATOM 1282 CD1 TYR A 141 4.323 12.087 0.554 1.00 0.00 C ATOM 1283 CD2 TYR A 141 5.407 10.507 -0.931 1.00 0.00 C ATOM 1284 CE1 TYR A 141 5.563 12.671 0.840 1.00 0.00 C ATOM 1285 CE2 TYR A 141 6.647 11.092 -0.644 1.00 0.00 C ATOM 1286 CZ TYR A 141 6.724 12.174 0.239 1.00 0.00 C ATOM 1287 OH TYR A 141 7.947 12.748 0.521 1.00 0.00 O ATOM 0 H TYR A 141 0.649 9.757 -1.478 1.00 0.00 H new ATOM 0 HA TYR A 141 2.047 12.231 -1.330 1.00 0.00 H new ATOM 0 HB2 TYR A 141 2.300 10.332 0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 141 3.038 9.359 -0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 141 3.426 12.472 1.016 1.00 0.00 H new ATOM 0 HD2 TYR A 141 5.347 9.674 -1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 141 5.623 13.505 1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 141 7.545 10.707 -1.105 1.00 0.00 H new ATOM 0 HH TYR A 141 8.650 12.282 0.021 1.00 0.00 H new ATOM 1297 N ALA A 142 3.053 10.165 -3.701 1.00 0.00 N ATOM 1298 CA ALA A 142 3.855 10.128 -4.955 1.00 0.00 C ATOM 1299 C ALA A 142 3.337 11.202 -5.907 1.00 0.00 C ATOM 1300 O ALA A 142 4.095 11.882 -6.569 1.00 0.00 O ATOM 1301 CB ALA A 142 3.707 8.749 -5.605 1.00 0.00 C ATOM 0 H ALA A 142 2.547 9.307 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 142 4.906 10.313 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 142 4.292 8.715 -6.524 1.00 0.00 H new ATOM 0 HB2 ALA A 142 4.066 7.983 -4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.658 8.566 -5.836 1.00 0.00 H new ATOM 1307 N TYR A 143 2.045 11.361 -5.974 1.00 0.00 N ATOM 1308 CA TYR A 143 1.458 12.393 -6.872 1.00 0.00 C ATOM 1309 C TYR A 143 1.878 13.785 -6.390 1.00 0.00 C ATOM 1310 O TYR A 143 2.206 14.654 -7.173 1.00 0.00 O ATOM 1311 CB TYR A 143 -0.067 12.276 -6.846 1.00 0.00 C ATOM 1312 CG TYR A 143 -0.673 13.374 -7.686 1.00 0.00 C ATOM 1313 CD1 TYR A 143 -0.694 13.252 -9.080 1.00 0.00 C ATOM 1314 CD2 TYR A 143 -1.211 14.512 -7.073 1.00 0.00 C ATOM 1315 CE1 TYR A 143 -1.257 14.268 -9.861 1.00 0.00 C ATOM 1316 CE2 TYR A 143 -1.773 15.527 -7.854 1.00 0.00 C ATOM 1317 CZ TYR A 143 -1.796 15.406 -9.249 1.00 0.00 C ATOM 1318 OH TYR A 143 -2.349 16.407 -10.020 1.00 0.00 O ATOM 0 H TYR A 143 1.366 10.817 -5.442 1.00 0.00 H new ATOM 0 HA TYR A 143 1.816 12.242 -7.890 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.374 11.302 -7.227 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -0.430 12.346 -5.821 1.00 0.00 H new ATOM 0 HD1 TYR A 143 -0.276 12.375 -9.552 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -1.192 14.606 -5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 143 -1.276 14.174 -10.937 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -2.189 16.404 -7.381 1.00 0.00 H new ATOM 0 HH TYR A 143 -2.678 17.124 -9.438 1.00 0.00 H new ATOM 1328 N ASP A 144 1.858 14.004 -5.101 1.00 0.00 N ATOM 1329 CA ASP A 144 2.243 15.338 -4.554 1.00 0.00 C ATOM 1330 C ASP A 144 3.731 15.591 -4.797 1.00 0.00 C ATOM 1331 O ASP A 144 4.191 16.716 -4.773 1.00 0.00 O ATOM 1332 CB ASP A 144 1.967 15.371 -3.050 1.00 0.00 C ATOM 1333 CG ASP A 144 0.458 15.412 -2.805 1.00 0.00 C ATOM 1334 OD1 ASP A 144 -0.268 15.687 -3.745 1.00 0.00 O ATOM 1335 OD2 ASP A 144 0.053 15.167 -1.680 1.00 0.00 O ATOM 0 H ASP A 144 1.590 13.312 -4.401 1.00 0.00 H new ATOM 0 HA ASP A 144 1.659 16.110 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 144 2.399 14.492 -2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 144 2.442 16.244 -2.602 1.00 0.00 H new ATOM 1340 N THR A 145 4.491 14.556 -5.030 1.00 0.00 N ATOM 1341 CA THR A 145 5.953 14.734 -5.275 1.00 0.00 C ATOM 1342 C THR A 145 6.185 14.903 -6.777 1.00 0.00 C ATOM 1343 O THR A 145 7.299 14.844 -7.261 1.00 0.00 O ATOM 1344 CB THR A 145 6.706 13.504 -4.761 1.00 0.00 C ATOM 1345 OG1 THR A 145 6.040 12.327 -5.195 1.00 0.00 O ATOM 1346 CG2 THR A 145 6.745 13.532 -3.233 1.00 0.00 C ATOM 0 H THR A 145 4.162 13.591 -5.062 1.00 0.00 H new ATOM 0 HA THR A 145 6.318 15.617 -4.750 1.00 0.00 H new ATOM 0 HB THR A 145 7.724 13.512 -5.151 1.00 0.00 H new ATOM 0 HG1 THR A 145 5.530 12.521 -6.009 1.00 0.00 H new ATOM 0 HG21 THR A 145 7.281 12.656 -2.867 1.00 0.00 H new ATOM 0 HG22 THR A 145 7.255 14.436 -2.899 1.00 0.00 H new ATOM 0 HG23 THR A 145 5.727 13.524 -2.843 1.00 0.00 H new ATOM 1354 N ARG A 146 5.126 15.117 -7.514 1.00 0.00 N ATOM 1355 CA ARG A 146 5.246 15.300 -8.988 1.00 0.00 C ATOM 1356 C ARG A 146 6.038 14.140 -9.588 1.00 0.00 C ATOM 1357 O ARG A 146 6.827 14.312 -10.496 1.00 0.00 O ATOM 1358 CB ARG A 146 5.952 16.631 -9.284 1.00 0.00 C ATOM 1359 CG ARG A 146 5.195 17.798 -8.625 1.00 0.00 C ATOM 1360 CD ARG A 146 3.967 18.190 -9.461 1.00 0.00 C ATOM 1361 NE ARG A 146 3.213 19.265 -8.755 1.00 0.00 N ATOM 1362 CZ ARG A 146 2.172 19.816 -9.319 1.00 0.00 C ATOM 1363 NH1 ARG A 146 1.792 19.424 -10.507 1.00 0.00 N ATOM 1364 NH2 ARG A 146 1.512 20.754 -8.698 1.00 0.00 N ATOM 0 H ARG A 146 4.174 15.173 -7.152 1.00 0.00 H new ATOM 0 HA ARG A 146 4.252 15.317 -9.435 1.00 0.00 H new ATOM 0 HB2 ARG A 146 6.976 16.597 -8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 146 6.009 16.788 -10.361 1.00 0.00 H new ATOM 0 HG2 ARG A 146 4.882 17.514 -7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 146 5.859 18.656 -8.521 1.00 0.00 H new ATOM 0 HD2 ARG A 146 4.279 18.536 -10.446 1.00 0.00 H new ATOM 0 HD3 ARG A 146 3.326 17.322 -9.616 1.00 0.00 H new ATOM 0 HE ARG A 146 3.511 19.571 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 146 2.308 18.689 -10.991 1.00 0.00 H new ATOM 0 HH12 ARG A 146 0.979 19.853 -10.950 1.00 0.00 H new ATOM 0 HH21 ARG A 146 1.809 21.058 -7.771 1.00 0.00 H new ATOM 0 HH22 ARG A 146 0.699 21.184 -9.140 1.00 0.00 H new ATOM 1378 N LEU A 147 5.810 12.952 -9.098 1.00 0.00 N ATOM 1379 CA LEU A 147 6.512 11.752 -9.642 1.00 0.00 C ATOM 1380 C LEU A 147 5.574 11.057 -10.625 1.00 0.00 C ATOM 1381 O LEU A 147 5.998 10.380 -11.540 1.00 0.00 O ATOM 1382 CB LEU A 147 6.847 10.800 -8.495 1.00 0.00 C ATOM 1383 CG LEU A 147 7.775 11.500 -7.498 1.00 0.00 C ATOM 1384 CD1 LEU A 147 7.999 10.585 -6.293 1.00 0.00 C ATOM 1385 CD2 LEU A 147 9.126 11.821 -8.165 1.00 0.00 C ATOM 0 H LEU A 147 5.160 12.759 -8.336 1.00 0.00 H new ATOM 0 HA LEU A 147 7.434 12.045 -10.144 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.932 10.482 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 147 7.326 9.901 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 147 7.315 12.433 -7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.659 11.078 -5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 147 7.043 10.372 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 147 8.455 9.652 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 147 9.777 12.319 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 147 9.595 10.896 -8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 147 8.963 12.476 -9.021 1.00 0.00 H new ATOM 1397 N ILE A 148 4.290 11.230 -10.437 1.00 0.00 N ATOM 1398 CA ILE A 148 3.290 10.598 -11.349 1.00 0.00 C ATOM 1399 C ILE A 148 2.181 11.601 -11.659 1.00 0.00 C ATOM 1400 O ILE A 148 1.844 12.447 -10.854 1.00 0.00 O ATOM 1401 CB ILE A 148 2.699 9.353 -10.676 1.00 0.00 C ATOM 1402 CG1 ILE A 148 2.062 9.730 -9.332 1.00 0.00 C ATOM 1403 CG2 ILE A 148 3.809 8.329 -10.441 1.00 0.00 C ATOM 1404 CD1 ILE A 148 1.370 8.501 -8.737 1.00 0.00 C ATOM 0 H ILE A 148 3.889 11.788 -9.683 1.00 0.00 H new ATOM 0 HA ILE A 148 3.776 10.303 -12.279 1.00 0.00 H new ATOM 0 HB ILE A 148 1.934 8.927 -11.325 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.824 10.100 -8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.341 10.535 -9.472 1.00 0.00 H new ATOM 0 HG21 ILE A 148 3.391 7.443 -9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 148 4.255 8.050 -11.396 1.00 0.00 H new ATOM 0 HG23 ILE A 148 4.574 8.763 -9.797 1.00 0.00 H new ATOM 0 HD11 ILE A 148 0.916 8.766 -7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.597 8.152 -9.421 1.00 0.00 H new ATOM 0 HD13 ILE A 148 2.103 7.709 -8.583 1.00 0.00 H new ATOM 1416 N LYS A 149 1.605 11.510 -12.824 1.00 0.00 N ATOM 1417 CA LYS A 149 0.509 12.448 -13.204 1.00 0.00 C ATOM 1418 C LYS A 149 -0.836 11.797 -12.886 1.00 0.00 C ATOM 1419 O LYS A 149 -1.876 12.418 -12.977 1.00 0.00 O ATOM 1420 CB LYS A 149 0.594 12.740 -14.704 1.00 0.00 C ATOM 1421 CG LYS A 149 1.864 13.545 -14.992 1.00 0.00 C ATOM 1422 CD LYS A 149 1.964 13.825 -16.494 1.00 0.00 C ATOM 1423 CE LYS A 149 3.223 14.648 -16.775 1.00 0.00 C ATOM 1424 NZ LYS A 149 3.331 14.911 -18.237 1.00 0.00 N ATOM 0 H LYS A 149 1.847 10.821 -13.536 1.00 0.00 H new ATOM 0 HA LYS A 149 0.606 13.380 -12.646 1.00 0.00 H new ATOM 0 HB2 LYS A 149 0.605 11.807 -15.268 1.00 0.00 H new ATOM 0 HB3 LYS A 149 -0.285 13.297 -15.028 1.00 0.00 H new ATOM 0 HG2 LYS A 149 1.846 14.483 -14.437 1.00 0.00 H new ATOM 0 HG3 LYS A 149 2.741 12.992 -14.655 1.00 0.00 H new ATOM 0 HD2 LYS A 149 1.998 12.887 -17.048 1.00 0.00 H new ATOM 0 HD3 LYS A 149 1.080 14.365 -16.834 1.00 0.00 H new ATOM 0 HE2 LYS A 149 3.184 15.590 -16.228 1.00 0.00 H new ATOM 0 HE3 LYS A 149 4.106 14.112 -16.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 4.187 15.470 -18.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 3.387 14.008 -18.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 2.494 15.439 -18.557 1.00 0.00 H new ATOM 1438 N ALA A 150 -0.820 10.541 -12.516 1.00 0.00 N ATOM 1439 CA ALA A 150 -2.092 9.819 -12.193 1.00 0.00 C ATOM 1440 C ALA A 150 -2.209 9.629 -10.679 1.00 0.00 C ATOM 1441 O ALA A 150 -1.229 9.638 -9.961 1.00 0.00 O ATOM 1442 CB ALA A 150 -2.077 8.446 -12.867 1.00 0.00 C ATOM 0 H ALA A 150 0.026 9.979 -12.423 1.00 0.00 H new ATOM 0 HA ALA A 150 -2.939 10.403 -12.553 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -3.001 7.917 -12.635 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -1.992 8.571 -13.946 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -1.227 7.870 -12.501 1.00 0.00 H new ATOM 1448 N MET A 151 -3.407 9.453 -10.193 1.00 0.00 N ATOM 1449 CA MET A 151 -3.613 9.254 -8.728 1.00 0.00 C ATOM 1450 C MET A 151 -4.754 8.253 -8.516 1.00 0.00 C ATOM 1451 O MET A 151 -5.778 8.580 -7.952 1.00 0.00 O ATOM 1452 CB MET A 151 -3.978 10.593 -8.077 1.00 0.00 C ATOM 1453 CG MET A 151 -5.021 11.316 -8.933 1.00 0.00 C ATOM 1454 SD MET A 151 -5.709 12.707 -7.999 1.00 0.00 S ATOM 1455 CE MET A 151 -4.471 13.940 -8.470 1.00 0.00 C ATOM 0 H MET A 151 -4.260 9.438 -10.752 1.00 0.00 H new ATOM 0 HA MET A 151 -2.699 8.871 -8.275 1.00 0.00 H new ATOM 0 HB2 MET A 151 -4.370 10.426 -7.074 1.00 0.00 H new ATOM 0 HB3 MET A 151 -3.087 11.212 -7.972 1.00 0.00 H new ATOM 0 HG2 MET A 151 -4.565 11.674 -9.856 1.00 0.00 H new ATOM 0 HG3 MET A 151 -5.816 10.626 -9.217 1.00 0.00 H new ATOM 0 HE1 MET A 151 -4.578 14.822 -7.839 1.00 0.00 H new ATOM 0 HE2 MET A 151 -3.473 13.521 -8.342 1.00 0.00 H new ATOM 0 HE3 MET A 151 -4.615 14.221 -9.513 1.00 0.00 H new ATOM 1465 N PRO A 152 -4.578 7.040 -8.979 1.00 0.00 N ATOM 1466 CA PRO A 152 -5.613 5.973 -8.845 1.00 0.00 C ATOM 1467 C PRO A 152 -5.717 5.446 -7.410 1.00 0.00 C ATOM 1468 O PRO A 152 -5.105 4.460 -7.050 1.00 0.00 O ATOM 1469 CB PRO A 152 -5.131 4.877 -9.809 1.00 0.00 C ATOM 1470 CG PRO A 152 -3.646 5.059 -9.898 1.00 0.00 C ATOM 1471 CD PRO A 152 -3.372 6.552 -9.672 1.00 0.00 C ATOM 0 HA PRO A 152 -6.613 6.337 -9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -5.385 3.885 -9.436 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -5.600 4.979 -10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -3.136 4.454 -9.148 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -3.274 4.740 -10.872 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -2.477 6.706 -9.070 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -3.215 7.075 -10.615 1.00 0.00 H new