USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=21 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 Single : A 66 LYS NZ :NH3+ 136:sc= -0.324 (180deg=-1.43!) USER MOD Single : A 67 GLN : amide:sc= -1.92! C(o=-1.9!,f=-5.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.22) USER MOD Single : A 76 TYR OH : rot 15:sc= -1.09! USER MOD Single : A 78 ASN : amide:sc= -0.0362 K(o=-0.036,f=-1.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -39:sc= 0.529 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.0128 K(o=-0.013,f=-2.6!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 100 ASN : amide:sc= -2.32! C(o=-2.3!,f=-4.2!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -115:sc= 0.715 (180deg=-1.56) USER MOD Single : A 105 GLN : amide:sc= -1.44! C(o=-1.4!,f=-1.3!) USER MOD Single : A 106 THR OG1 : rot -42:sc= 0.0773 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 112 TYR OH : rot 165:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -3.23! C(o=-3.2!,f=-4.1!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -1.16! K(o=-1.2!,f=-0.017) 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 42:sc= 1.28 USER MOD Single : A 135 THR OG1 : rot 101:sc= 1.15 USER MOD Single : A 136 ASN : amide:sc= -2.09! C(o=-2.1!,f=-4!) USER MOD Single : A 137 MET CE :methyl 136:sc= -0.196 (180deg=-2.55!) USER MOD Single : A 140 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0311) 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 74:sc= 0.125 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 MET CE :methyl 173:sc=-0.00258 (180deg=-0.0891) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 65 8.917 2.079 -6.560 1.00 0.00 N ATOM 16 CA PHE A 65 7.705 1.999 -5.694 1.00 0.00 C ATOM 17 C PHE A 65 8.110 1.622 -4.268 1.00 0.00 C ATOM 18 O PHE A 65 7.630 2.184 -3.301 1.00 0.00 O ATOM 19 CB PHE A 65 6.755 0.935 -6.254 1.00 0.00 C ATOM 20 CG PHE A 65 5.554 0.794 -5.343 1.00 0.00 C ATOM 21 CD1 PHE A 65 4.716 1.892 -5.115 1.00 0.00 C ATOM 22 CD2 PHE A 65 5.280 -0.433 -4.725 1.00 0.00 C ATOM 23 CE1 PHE A 65 3.608 1.764 -4.270 1.00 0.00 C ATOM 24 CE2 PHE A 65 4.169 -0.561 -3.881 1.00 0.00 C ATOM 25 CZ PHE A 65 3.334 0.538 -3.654 1.00 0.00 C ATOM 0 HA PHE A 65 7.206 2.968 -5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.432 1.214 -7.257 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.273 -0.020 -6.340 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.925 2.838 -5.592 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.926 -1.281 -4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.964 2.612 -4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.957 -1.508 -3.406 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.478 0.440 -3.003 1.00 0.00 H new ATOM 35 N LYS A 66 8.988 0.668 -4.136 1.00 0.00 N ATOM 36 CA LYS A 66 9.440 0.234 -2.784 1.00 0.00 C ATOM 37 C LYS A 66 10.121 1.403 -2.073 1.00 0.00 C ATOM 38 O LYS A 66 9.897 1.653 -0.904 1.00 0.00 O ATOM 39 CB LYS A 66 10.438 -0.915 -2.936 1.00 0.00 C ATOM 40 CG LYS A 66 10.816 -1.452 -1.550 1.00 0.00 C ATOM 41 CD LYS A 66 11.650 -2.738 -1.688 1.00 0.00 C ATOM 42 CE LYS A 66 13.113 -2.387 -1.976 1.00 0.00 C ATOM 43 NZ LYS A 66 13.644 -1.534 -0.874 1.00 0.00 N ATOM 0 H LYS A 66 9.416 0.166 -4.914 1.00 0.00 H new ATOM 0 HA LYS A 66 8.581 -0.095 -2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.003 -1.711 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.330 -0.569 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.383 -0.699 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.914 -1.655 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.582 -3.325 -0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.251 -3.355 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.706 -3.297 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.192 -1.862 -2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.593 -1.864 -0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.699 -0.546 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.011 -1.596 -0.051 1.00 0.00 H new ATOM 57 N GLN A 67 10.955 2.118 -2.778 1.00 0.00 N ATOM 58 CA GLN A 67 11.664 3.276 -2.165 1.00 0.00 C ATOM 59 C GLN A 67 10.643 4.345 -1.767 1.00 0.00 C ATOM 60 O GLN A 67 10.700 4.904 -0.689 1.00 0.00 O ATOM 61 CB GLN A 67 12.637 3.866 -3.188 1.00 0.00 C ATOM 62 CG GLN A 67 13.798 2.897 -3.414 1.00 0.00 C ATOM 63 CD GLN A 67 13.291 1.641 -4.130 1.00 0.00 C ATOM 64 OE1 GLN A 67 12.482 1.726 -5.033 1.00 0.00 O ATOM 65 NE2 GLN A 67 13.738 0.472 -3.762 1.00 0.00 N ATOM 0 H GLN A 67 11.177 1.948 -3.759 1.00 0.00 H new ATOM 0 HA GLN A 67 12.210 2.946 -1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.120 4.055 -4.129 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.015 4.825 -2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.575 3.378 -4.009 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.249 2.626 -2.459 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.417 0.401 -3.004 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.409 -0.371 -4.232 1.00 0.00 H new ATOM 74 N VAL A 68 9.707 4.624 -2.633 1.00 0.00 N ATOM 75 CA VAL A 68 8.669 5.647 -2.316 1.00 0.00 C ATOM 76 C VAL A 68 7.819 5.154 -1.144 1.00 0.00 C ATOM 77 O VAL A 68 7.519 5.887 -0.223 1.00 0.00 O ATOM 78 CB VAL A 68 7.773 5.865 -3.540 1.00 0.00 C ATOM 79 CG1 VAL A 68 6.581 6.750 -3.157 1.00 0.00 C ATOM 80 CG2 VAL A 68 8.577 6.551 -4.648 1.00 0.00 C ATOM 0 H VAL A 68 9.616 4.186 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 68 9.152 6.587 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 68 7.410 4.900 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.946 6.903 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.005 6.264 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.943 7.714 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.939 6.706 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.942 7.514 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.423 5.923 -4.926 1.00 0.00 H new ATOM 90 N ALA A 69 7.431 3.906 -1.181 1.00 0.00 N ATOM 91 CA ALA A 69 6.600 3.343 -0.080 1.00 0.00 C ATOM 92 C ALA A 69 7.415 3.338 1.213 1.00 0.00 C ATOM 93 O ALA A 69 6.903 3.591 2.287 1.00 0.00 O ATOM 94 CB ALA A 69 6.196 1.908 -0.432 1.00 0.00 C ATOM 0 H ALA A 69 7.656 3.251 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 69 5.705 3.951 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.588 1.494 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.621 1.909 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.091 1.299 -0.561 1.00 0.00 H new ATOM 100 N ASP A 70 8.685 3.058 1.111 1.00 0.00 N ATOM 101 CA ASP A 70 9.554 3.032 2.323 1.00 0.00 C ATOM 102 C ASP A 70 9.644 4.451 2.896 1.00 0.00 C ATOM 103 O ASP A 70 9.629 4.654 4.095 1.00 0.00 O ATOM 104 CB ASP A 70 10.963 2.553 1.931 1.00 0.00 C ATOM 105 CG ASP A 70 11.026 1.022 1.927 1.00 0.00 C ATOM 106 OD1 ASP A 70 10.031 0.402 2.264 1.00 0.00 O ATOM 107 OD2 ASP A 70 12.066 0.495 1.563 1.00 0.00 O ATOM 0 H ASP A 70 9.162 2.845 0.235 1.00 0.00 H new ATOM 0 HA ASP A 70 9.134 2.355 3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.223 2.936 0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.697 2.952 2.631 1.00 0.00 H new ATOM 112 N ASP A 71 9.741 5.427 2.037 1.00 0.00 N ATOM 113 CA ASP A 71 9.837 6.840 2.502 1.00 0.00 C ATOM 114 C ASP A 71 8.557 7.219 3.249 1.00 0.00 C ATOM 115 O ASP A 71 8.592 7.761 4.337 1.00 0.00 O ATOM 116 CB ASP A 71 10.004 7.751 1.280 1.00 0.00 C ATOM 117 CG ASP A 71 10.043 9.218 1.716 1.00 0.00 C ATOM 118 OD1 ASP A 71 10.161 9.462 2.904 1.00 0.00 O ATOM 119 OD2 ASP A 71 9.956 10.073 0.848 1.00 0.00 O ATOM 0 H ASP A 71 9.758 5.306 1.024 1.00 0.00 H new ATOM 0 HA ASP A 71 10.690 6.954 3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.922 7.497 0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.180 7.593 0.584 1.00 0.00 H new ATOM 124 N TRP A 72 7.427 6.926 2.664 1.00 0.00 N ATOM 125 CA TRP A 72 6.128 7.251 3.317 1.00 0.00 C ATOM 126 C TRP A 72 5.993 6.443 4.606 1.00 0.00 C ATOM 127 O TRP A 72 5.513 6.926 5.613 1.00 0.00 O ATOM 128 CB TRP A 72 4.980 6.893 2.365 1.00 0.00 C ATOM 129 CG TRP A 72 3.669 7.068 3.064 1.00 0.00 C ATOM 130 CD1 TRP A 72 2.932 8.203 3.054 1.00 0.00 C ATOM 131 CD2 TRP A 72 2.932 6.109 3.876 1.00 0.00 C ATOM 132 NE1 TRP A 72 1.789 8.000 3.806 1.00 0.00 N ATOM 133 CE2 TRP A 72 1.743 6.725 4.334 1.00 0.00 C ATOM 134 CE3 TRP A 72 3.175 4.775 4.257 1.00 0.00 C ATOM 135 CZ2 TRP A 72 0.828 6.045 5.138 1.00 0.00 C ATOM 136 CZ3 TRP A 72 2.256 4.088 5.067 1.00 0.00 C ATOM 137 CH2 TRP A 72 1.086 4.723 5.508 1.00 0.00 C ATOM 0 H TRP A 72 7.349 6.472 1.754 1.00 0.00 H new ATOM 0 HA TRP A 72 6.090 8.315 3.550 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.018 7.528 1.480 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.086 5.863 2.024 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.194 9.118 2.543 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.068 8.706 3.953 1.00 0.00 H new ATOM 0 HE3 TRP A 72 4.074 4.277 3.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.073 6.537 5.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 2.452 3.065 5.352 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.385 4.190 6.133 1.00 0.00 H new ATOM 148 N LEU A 73 6.407 5.209 4.573 1.00 0.00 N ATOM 149 CA LEU A 73 6.301 4.357 5.785 1.00 0.00 C ATOM 150 C LEU A 73 7.173 4.945 6.893 1.00 0.00 C ATOM 151 O LEU A 73 6.798 4.974 8.049 1.00 0.00 O ATOM 152 CB LEU A 73 6.782 2.939 5.454 1.00 0.00 C ATOM 153 CG LEU A 73 6.459 1.972 6.626 1.00 0.00 C ATOM 154 CD1 LEU A 73 6.104 0.588 6.075 1.00 0.00 C ATOM 155 CD2 LEU A 73 7.671 1.837 7.565 1.00 0.00 C ATOM 0 H LEU A 73 6.815 4.754 3.757 1.00 0.00 H new ATOM 0 HA LEU A 73 5.264 4.320 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.300 2.588 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.856 2.947 5.265 1.00 0.00 H new ATOM 0 HG LEU A 73 5.615 2.380 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.878 -0.086 6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.233 0.668 5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.947 0.195 5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.426 1.156 8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.521 1.445 7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.925 2.815 7.974 1.00 0.00 H new ATOM 167 N LYS A 74 8.341 5.406 6.542 1.00 0.00 N ATOM 168 CA LYS A 74 9.262 5.989 7.557 1.00 0.00 C ATOM 169 C LYS A 74 8.594 7.193 8.221 1.00 0.00 C ATOM 170 O LYS A 74 8.584 7.329 9.429 1.00 0.00 O ATOM 171 CB LYS A 74 10.543 6.444 6.855 1.00 0.00 C ATOM 172 CG LYS A 74 11.551 6.951 7.891 1.00 0.00 C ATOM 173 CD LYS A 74 12.845 7.399 7.194 1.00 0.00 C ATOM 174 CE LYS A 74 13.690 6.178 6.810 1.00 0.00 C ATOM 175 NZ LYS A 74 15.037 6.624 6.361 1.00 0.00 N ATOM 0 H LYS A 74 8.700 5.404 5.587 1.00 0.00 H new ATOM 0 HA LYS A 74 9.497 5.243 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.973 5.616 6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.315 7.234 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.123 7.783 8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.771 6.163 8.612 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.605 7.979 6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.415 8.052 7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.784 5.506 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.198 5.618 6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.608 5.795 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.938 7.249 5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.507 7.140 7.132 1.00 0.00 H new ATOM 189 N GLN A 75 8.034 8.066 7.431 1.00 0.00 N ATOM 190 CA GLN A 75 7.355 9.270 7.992 1.00 0.00 C ATOM 191 C GLN A 75 6.057 8.848 8.687 1.00 0.00 C ATOM 192 O GLN A 75 5.713 9.337 9.748 1.00 0.00 O ATOM 193 CB GLN A 75 7.025 10.235 6.849 1.00 0.00 C ATOM 194 CG GLN A 75 8.319 10.740 6.204 1.00 0.00 C ATOM 195 CD GLN A 75 9.098 11.594 7.207 1.00 0.00 C ATOM 196 OE1 GLN A 75 8.580 12.559 7.732 1.00 0.00 O ATOM 197 NE2 GLN A 75 10.329 11.274 7.499 1.00 0.00 N ATOM 0 H GLN A 75 8.017 7.998 6.413 1.00 0.00 H new ATOM 0 HA GLN A 75 8.011 9.758 8.713 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.409 9.732 6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.445 11.076 7.228 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.928 9.896 5.880 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.088 11.327 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.764 10.463 7.058 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.857 11.834 8.168 1.00 0.00 H new ATOM 206 N TYR A 76 5.335 7.938 8.090 1.00 0.00 N ATOM 207 CA TYR A 76 4.053 7.467 8.690 1.00 0.00 C ATOM 208 C TYR A 76 4.354 6.664 9.958 1.00 0.00 C ATOM 209 O TYR A 76 3.470 6.324 10.720 1.00 0.00 O ATOM 210 CB TYR A 76 3.321 6.582 7.678 1.00 0.00 C ATOM 211 CG TYR A 76 1.988 6.156 8.244 1.00 0.00 C ATOM 212 CD1 TYR A 76 0.905 7.043 8.226 1.00 0.00 C ATOM 213 CD2 TYR A 76 1.835 4.874 8.787 1.00 0.00 C ATOM 214 CE1 TYR A 76 -0.331 6.648 8.752 1.00 0.00 C ATOM 215 CE2 TYR A 76 0.598 4.480 9.313 1.00 0.00 C ATOM 216 CZ TYR A 76 -0.485 5.368 9.296 1.00 0.00 C ATOM 217 OH TYR A 76 -1.702 4.980 9.816 1.00 0.00 O ATOM 0 H TYR A 76 5.581 7.497 7.204 1.00 0.00 H new ATOM 0 HA TYR A 76 3.426 8.321 8.945 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.174 7.126 6.745 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.924 5.705 7.444 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.023 8.031 7.807 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.670 4.190 8.800 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.167 7.332 8.738 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.479 3.492 9.732 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.398 5.603 9.520 1.00 0.00 H new ATOM 227 N ALA A 77 5.604 6.361 10.181 1.00 0.00 N ATOM 228 CA ALA A 77 5.992 5.583 11.393 1.00 0.00 C ATOM 229 C ALA A 77 5.623 6.376 12.650 1.00 0.00 C ATOM 230 O ALA A 77 5.236 5.818 13.659 1.00 0.00 O ATOM 231 CB ALA A 77 7.504 5.335 11.370 1.00 0.00 C ATOM 0 H ALA A 77 6.379 6.621 9.571 1.00 0.00 H new ATOM 0 HA ALA A 77 5.464 4.629 11.400 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.793 4.767 12.254 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.767 4.772 10.475 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.029 6.290 11.365 1.00 0.00 H new ATOM 237 N ASN A 78 5.739 7.678 12.592 1.00 0.00 N ATOM 238 CA ASN A 78 5.391 8.519 13.778 1.00 0.00 C ATOM 239 C ASN A 78 3.895 8.383 14.068 1.00 0.00 C ATOM 240 O ASN A 78 3.468 8.319 15.205 1.00 0.00 O ATOM 241 CB ASN A 78 5.714 9.985 13.475 1.00 0.00 C ATOM 242 CG ASN A 78 7.230 10.177 13.409 1.00 0.00 C ATOM 243 OD1 ASN A 78 7.977 9.420 13.996 1.00 0.00 O ATOM 244 ND2 ASN A 78 7.720 11.165 12.710 1.00 0.00 N ATOM 0 H ASN A 78 6.060 8.196 11.774 1.00 0.00 H new ATOM 0 HA ASN A 78 5.967 8.189 14.643 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.259 10.279 12.529 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.290 10.628 14.246 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.730 11.301 12.657 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.093 11.801 12.217 1.00 0.00 H new ATOM 251 N ASP A 79 3.099 8.345 13.033 1.00 0.00 N ATOM 252 CA ASP A 79 1.625 8.221 13.210 1.00 0.00 C ATOM 253 C ASP A 79 1.292 6.858 13.807 1.00 0.00 C ATOM 254 O ASP A 79 2.108 5.959 13.809 1.00 0.00 O ATOM 255 CB ASP A 79 0.933 8.361 11.848 1.00 0.00 C ATOM 256 CG ASP A 79 0.993 9.819 11.389 1.00 0.00 C ATOM 257 OD1 ASP A 79 1.363 10.658 12.194 1.00 0.00 O ATOM 258 OD2 ASP A 79 0.668 10.073 10.240 1.00 0.00 O ATOM 0 H ASP A 79 3.411 8.395 12.063 1.00 0.00 H new ATOM 0 HA ASP A 79 1.276 9.006 13.881 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.419 7.718 11.114 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.104 8.035 11.921 1.00 0.00 H new ATOM 263 N VAL A 80 0.090 6.716 14.309 1.00 0.00 N ATOM 264 CA VAL A 80 -0.359 5.429 14.924 1.00 0.00 C ATOM 265 C VAL A 80 0.781 4.757 15.689 1.00 0.00 C ATOM 266 O VAL A 80 1.770 5.375 16.032 1.00 0.00 O ATOM 267 CB VAL A 80 -0.882 4.474 13.839 1.00 0.00 C ATOM 268 CG1 VAL A 80 -2.099 5.100 13.155 1.00 0.00 C ATOM 269 CG2 VAL A 80 0.204 4.209 12.791 1.00 0.00 C ATOM 0 H VAL A 80 -0.613 7.455 14.318 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.162 5.657 15.625 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.161 3.530 14.307 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.471 4.424 12.385 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.881 5.275 13.893 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.812 6.047 12.698 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.182 3.531 12.030 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.496 5.150 12.324 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.072 3.758 13.272 1.00 0.00 H new ATOM 279 N LYS A 81 0.634 3.491 15.970 1.00 0.00 N ATOM 280 CA LYS A 81 1.688 2.749 16.721 1.00 0.00 C ATOM 281 C LYS A 81 2.545 1.925 15.760 1.00 0.00 C ATOM 282 O LYS A 81 2.161 1.642 14.640 1.00 0.00 O ATOM 283 CB LYS A 81 1.027 1.826 17.746 1.00 0.00 C ATOM 284 CG LYS A 81 -0.045 0.969 17.066 1.00 0.00 C ATOM 285 CD LYS A 81 -0.692 0.045 18.101 1.00 0.00 C ATOM 286 CE LYS A 81 -1.751 -0.826 17.422 1.00 0.00 C ATOM 287 NZ LYS A 81 -2.357 -1.747 18.426 1.00 0.00 N ATOM 0 H LYS A 81 -0.179 2.933 15.709 1.00 0.00 H new ATOM 0 HA LYS A 81 2.330 3.465 17.234 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.778 1.185 18.207 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.579 2.418 18.544 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.801 1.608 16.610 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.400 0.380 16.264 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.067 -0.584 18.566 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.148 0.635 18.896 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.523 -0.198 16.977 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.300 -1.400 16.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.077 -2.339 17.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.617 -2.355 18.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.801 -1.190 19.184 1.00 0.00 H new ATOM 301 N VAL A 82 3.708 1.546 16.206 1.00 0.00 N ATOM 302 CA VAL A 82 4.629 0.740 15.357 1.00 0.00 C ATOM 303 C VAL A 82 4.002 -0.628 15.063 1.00 0.00 C ATOM 304 O VAL A 82 4.064 -1.129 13.957 1.00 0.00 O ATOM 305 CB VAL A 82 5.954 0.538 16.100 1.00 0.00 C ATOM 306 CG1 VAL A 82 6.837 -0.438 15.317 1.00 0.00 C ATOM 307 CG2 VAL A 82 6.680 1.881 16.235 1.00 0.00 C ATOM 0 H VAL A 82 4.065 1.763 17.136 1.00 0.00 H new ATOM 0 HA VAL A 82 4.806 1.265 14.418 1.00 0.00 H new ATOM 0 HB VAL A 82 5.751 0.133 17.092 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.779 -0.581 15.846 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.325 -1.396 15.222 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.036 -0.033 14.325 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.622 1.734 16.764 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.880 2.288 15.244 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.055 2.578 16.794 1.00 0.00 H new ATOM 317 N SER A 83 3.415 -1.238 16.058 1.00 0.00 N ATOM 318 CA SER A 83 2.797 -2.585 15.864 1.00 0.00 C ATOM 319 C SER A 83 1.839 -2.555 14.670 1.00 0.00 C ATOM 320 O SER A 83 1.799 -3.469 13.868 1.00 0.00 O ATOM 321 CB SER A 83 2.013 -2.959 17.124 1.00 0.00 C ATOM 322 OG SER A 83 2.893 -2.975 18.241 1.00 0.00 O ATOM 0 H SER A 83 3.336 -0.860 17.002 1.00 0.00 H new ATOM 0 HA SER A 83 3.582 -3.318 15.676 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.209 -2.243 17.291 1.00 0.00 H new ATOM 0 HB3 SER A 83 1.548 -3.937 16.999 1.00 0.00 H new ATOM 0 HG SER A 83 2.392 -3.213 19.049 1.00 0.00 H new ATOM 328 N SER A 84 1.071 -1.511 14.551 1.00 0.00 N ATOM 329 CA SER A 84 0.113 -1.404 13.413 1.00 0.00 C ATOM 330 C SER A 84 0.888 -1.251 12.102 1.00 0.00 C ATOM 331 O SER A 84 0.512 -1.783 11.077 1.00 0.00 O ATOM 332 CB SER A 84 -0.781 -0.179 13.618 1.00 0.00 C ATOM 333 OG SER A 84 0.031 0.986 13.712 1.00 0.00 O ATOM 0 H SER A 84 1.064 -0.721 15.196 1.00 0.00 H new ATOM 0 HA SER A 84 -0.500 -2.304 13.369 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.481 -0.082 12.788 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.375 -0.296 14.524 1.00 0.00 H new ATOM 0 HG SER A 84 0.837 0.782 14.230 1.00 0.00 H new ATOM 339 N VAL A 85 1.967 -0.518 12.135 1.00 0.00 N ATOM 340 CA VAL A 85 2.783 -0.305 10.903 1.00 0.00 C ATOM 341 C VAL A 85 3.370 -1.638 10.427 1.00 0.00 C ATOM 342 O VAL A 85 3.376 -1.945 9.250 1.00 0.00 O ATOM 343 CB VAL A 85 3.925 0.667 11.213 1.00 0.00 C ATOM 344 CG1 VAL A 85 4.824 0.809 9.984 1.00 0.00 C ATOM 345 CG2 VAL A 85 3.349 2.036 11.586 1.00 0.00 C ATOM 0 H VAL A 85 2.322 -0.053 12.970 1.00 0.00 H new ATOM 0 HA VAL A 85 2.147 0.108 10.120 1.00 0.00 H new ATOM 0 HB VAL A 85 4.510 0.281 12.048 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.636 1.501 10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.238 -0.165 9.722 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.239 1.192 9.148 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.164 2.726 11.806 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.761 2.423 10.753 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.711 1.935 12.464 1.00 0.00 H new ATOM 355 N ARG A 86 3.873 -2.426 11.340 1.00 0.00 N ATOM 356 CA ARG A 86 4.476 -3.740 10.965 1.00 0.00 C ATOM 357 C ARG A 86 3.420 -4.620 10.290 1.00 0.00 C ATOM 358 O ARG A 86 3.673 -5.261 9.286 1.00 0.00 O ATOM 359 CB ARG A 86 4.977 -4.437 12.236 1.00 0.00 C ATOM 360 CG ARG A 86 5.677 -5.752 11.876 1.00 0.00 C ATOM 361 CD ARG A 86 6.201 -6.422 13.153 1.00 0.00 C ATOM 362 NE ARG A 86 6.899 -7.691 12.797 1.00 0.00 N ATOM 363 CZ ARG A 86 7.500 -8.404 13.717 1.00 0.00 C ATOM 364 NH1 ARG A 86 7.504 -8.011 14.964 1.00 0.00 N ATOM 365 NH2 ARG A 86 8.104 -9.511 13.385 1.00 0.00 N ATOM 0 H ARG A 86 3.892 -2.214 12.338 1.00 0.00 H new ATOM 0 HA ARG A 86 5.304 -3.579 10.275 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.667 -3.784 12.770 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.140 -4.633 12.906 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.982 -6.417 11.363 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.501 -5.561 11.189 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.885 -5.752 13.674 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.375 -6.627 13.834 1.00 0.00 H new ATOM 0 HE ARG A 86 6.908 -8.007 11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.037 -7.143 15.227 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.974 -8.572 15.674 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.107 -9.818 12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.573 -10.069 14.098 1.00 0.00 H new ATOM 379 N ALA A 87 2.238 -4.655 10.842 1.00 0.00 N ATOM 380 CA ALA A 87 1.153 -5.491 10.249 1.00 0.00 C ATOM 381 C ALA A 87 0.774 -4.944 8.867 1.00 0.00 C ATOM 382 O ALA A 87 0.569 -5.685 7.922 1.00 0.00 O ATOM 383 CB ALA A 87 -0.071 -5.438 11.166 1.00 0.00 C ATOM 0 H ALA A 87 1.975 -4.139 11.682 1.00 0.00 H new ATOM 0 HA ALA A 87 1.499 -6.519 10.146 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.870 -6.046 10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.195 -5.824 12.150 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.411 -4.407 11.260 1.00 0.00 H new ATOM 389 N ARG A 88 0.688 -3.646 8.748 1.00 0.00 N ATOM 390 CA ARG A 88 0.328 -3.027 7.439 1.00 0.00 C ATOM 391 C ARG A 88 1.431 -3.302 6.416 1.00 0.00 C ATOM 392 O ARG A 88 1.165 -3.556 5.260 1.00 0.00 O ATOM 393 CB ARG A 88 0.169 -1.515 7.619 1.00 0.00 C ATOM 394 CG ARG A 88 -1.107 -1.219 8.413 1.00 0.00 C ATOM 395 CD ARG A 88 -1.217 0.289 8.662 1.00 0.00 C ATOM 396 NE ARG A 88 -2.461 0.583 9.427 1.00 0.00 N ATOM 397 CZ ARG A 88 -2.924 1.806 9.502 1.00 0.00 C ATOM 398 NH1 ARG A 88 -2.301 2.788 8.906 1.00 0.00 N ATOM 399 NH2 ARG A 88 -4.014 2.048 10.177 1.00 0.00 N ATOM 0 H ARG A 88 0.853 -2.984 9.506 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.609 -3.456 7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.035 -1.108 8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.124 -1.026 6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.980 -1.572 7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.090 -1.755 9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.346 0.640 9.216 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.228 0.824 7.712 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.957 -0.175 9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.448 2.605 8.378 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.668 3.738 8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.504 1.286 10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.376 3.000 10.237 1.00 0.00 H new ATOM 413 N GLU A 89 2.666 -3.252 6.841 1.00 0.00 N ATOM 414 CA GLU A 89 3.801 -3.503 5.904 1.00 0.00 C ATOM 415 C GLU A 89 3.669 -4.905 5.309 1.00 0.00 C ATOM 416 O GLU A 89 3.898 -5.120 4.135 1.00 0.00 O ATOM 417 CB GLU A 89 5.124 -3.391 6.674 1.00 0.00 C ATOM 418 CG GLU A 89 6.312 -3.717 5.755 1.00 0.00 C ATOM 419 CD GLU A 89 6.340 -2.746 4.572 1.00 0.00 C ATOM 420 OE1 GLU A 89 5.788 -1.667 4.700 1.00 0.00 O ATOM 421 OE2 GLU A 89 6.918 -3.099 3.557 1.00 0.00 O ATOM 0 H GLU A 89 2.939 -3.047 7.802 1.00 0.00 H new ATOM 0 HA GLU A 89 3.784 -2.768 5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.233 -2.384 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.116 -4.074 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.245 -3.648 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.232 -4.742 5.393 1.00 0.00 H new ATOM 428 N LYS A 90 3.295 -5.857 6.119 1.00 0.00 N ATOM 429 CA LYS A 90 3.136 -7.257 5.626 1.00 0.00 C ATOM 430 C LYS A 90 2.026 -7.312 4.574 1.00 0.00 C ATOM 431 O LYS A 90 2.121 -8.020 3.589 1.00 0.00 O ATOM 432 CB LYS A 90 2.764 -8.165 6.801 1.00 0.00 C ATOM 433 CG LYS A 90 2.715 -9.623 6.332 1.00 0.00 C ATOM 434 CD LYS A 90 2.394 -10.535 7.522 1.00 0.00 C ATOM 435 CE LYS A 90 2.361 -11.994 7.058 1.00 0.00 C ATOM 436 NZ LYS A 90 2.078 -12.883 8.222 1.00 0.00 N ATOM 0 H LYS A 90 3.091 -5.725 7.110 1.00 0.00 H new ATOM 0 HA LYS A 90 4.072 -7.592 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.494 -8.055 7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.796 -7.871 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.959 -9.741 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.671 -9.906 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.144 -10.408 8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.433 -10.259 7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.596 -12.126 6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.315 -12.264 6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.056 -13.873 7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.823 -12.765 8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.158 -12.631 8.635 1.00 0.00 H new ATOM 450 N ALA A 91 0.968 -6.579 4.788 1.00 0.00 N ATOM 451 CA ALA A 91 -0.169 -6.588 3.818 1.00 0.00 C ATOM 452 C ALA A 91 0.279 -6.043 2.455 1.00 0.00 C ATOM 453 O ALA A 91 -0.018 -6.610 1.421 1.00 0.00 O ATOM 454 CB ALA A 91 -1.297 -5.710 4.358 1.00 0.00 C ATOM 0 H ALA A 91 0.840 -5.970 5.596 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.514 -7.614 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.129 -5.713 3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.633 -6.100 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.934 -4.690 4.487 1.00 0.00 H new ATOM 460 N ILE A 92 0.985 -4.942 2.446 1.00 0.00 N ATOM 461 CA ILE A 92 1.446 -4.350 1.151 1.00 0.00 C ATOM 462 C ILE A 92 2.743 -5.031 0.704 1.00 0.00 C ATOM 463 O ILE A 92 3.191 -4.867 -0.414 1.00 0.00 O ATOM 464 CB ILE A 92 1.685 -2.843 1.320 1.00 0.00 C ATOM 465 CG1 ILE A 92 2.718 -2.593 2.425 1.00 0.00 C ATOM 466 CG2 ILE A 92 0.369 -2.155 1.692 1.00 0.00 C ATOM 467 CD1 ILE A 92 3.041 -1.098 2.498 1.00 0.00 C ATOM 0 H ILE A 92 1.263 -4.425 3.280 1.00 0.00 H new ATOM 0 HA ILE A 92 0.677 -4.507 0.394 1.00 0.00 H new ATOM 0 HB ILE A 92 2.061 -2.437 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.331 -2.939 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.626 -3.162 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.539 -1.085 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.364 -2.320 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.007 -2.570 2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.775 -0.922 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.446 -0.766 1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.132 -0.540 2.720 1.00 0.00 H new ATOM 479 N GLN A 93 3.348 -5.791 1.576 1.00 0.00 N ATOM 480 CA GLN A 93 4.621 -6.483 1.217 1.00 0.00 C ATOM 481 C GLN A 93 4.421 -7.271 -0.080 1.00 0.00 C ATOM 482 O GLN A 93 5.278 -7.305 -0.941 1.00 0.00 O ATOM 483 CB GLN A 93 5.006 -7.452 2.342 1.00 0.00 C ATOM 484 CG GLN A 93 6.315 -8.162 1.988 1.00 0.00 C ATOM 485 CD GLN A 93 6.790 -9.005 3.177 1.00 0.00 C ATOM 486 OE1 GLN A 93 6.328 -8.832 4.287 1.00 0.00 O ATOM 487 NE2 GLN A 93 7.706 -9.918 2.987 1.00 0.00 N ATOM 0 H GLN A 93 3.015 -5.964 2.525 1.00 0.00 H new ATOM 0 HA GLN A 93 5.412 -5.746 1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.118 -6.909 3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.213 -8.185 2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.169 -8.798 1.115 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.077 -7.428 1.724 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.095 -10.064 2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.032 -10.484 3.770 1.00 0.00 H new ATOM 496 N HIS A 94 3.288 -7.904 -0.215 1.00 0.00 N ATOM 497 CA HIS A 94 3.002 -8.701 -1.444 1.00 0.00 C ATOM 498 C HIS A 94 2.897 -7.777 -2.662 1.00 0.00 C ATOM 499 O HIS A 94 3.426 -8.061 -3.719 1.00 0.00 O ATOM 500 CB HIS A 94 1.674 -9.438 -1.262 1.00 0.00 C ATOM 501 CG HIS A 94 1.839 -10.529 -0.242 1.00 0.00 C ATOM 502 ND1 HIS A 94 2.623 -11.644 -0.478 1.00 0.00 N ATOM 503 CD2 HIS A 94 1.325 -10.691 1.022 1.00 0.00 C ATOM 504 CE1 HIS A 94 2.562 -12.422 0.616 1.00 0.00 C ATOM 505 NE2 HIS A 94 1.784 -11.889 1.562 1.00 0.00 N ATOM 0 H HIS A 94 2.541 -7.904 0.479 1.00 0.00 H new ATOM 0 HA HIS A 94 3.812 -9.413 -1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.900 -8.740 -0.941 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.348 -9.861 -2.212 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.666 -9.995 1.520 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.080 -13.364 0.718 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.572 -12.276 2.482 1.00 0.00 H new ATOM 513 N ALA A 95 2.210 -6.674 -2.519 1.00 0.00 N ATOM 514 CA ALA A 95 2.059 -5.725 -3.663 1.00 0.00 C ATOM 515 C ALA A 95 3.420 -5.122 -4.015 1.00 0.00 C ATOM 516 O ALA A 95 3.764 -4.953 -5.169 1.00 0.00 O ATOM 517 CB ALA A 95 1.098 -4.601 -3.262 1.00 0.00 C ATOM 0 H ALA A 95 1.745 -6.388 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 95 1.665 -6.259 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.984 -3.906 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.127 -5.026 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.498 -4.071 -2.398 1.00 0.00 H new ATOM 523 N ILE A 96 4.192 -4.799 -3.016 1.00 0.00 N ATOM 524 CA ILE A 96 5.533 -4.199 -3.255 1.00 0.00 C ATOM 525 C ILE A 96 6.416 -5.198 -4.003 1.00 0.00 C ATOM 526 O ILE A 96 7.121 -4.850 -4.929 1.00 0.00 O ATOM 527 CB ILE A 96 6.176 -3.852 -1.907 1.00 0.00 C ATOM 528 CG1 ILE A 96 5.406 -2.699 -1.255 1.00 0.00 C ATOM 529 CG2 ILE A 96 7.634 -3.436 -2.116 1.00 0.00 C ATOM 530 CD1 ILE A 96 5.847 -2.536 0.203 1.00 0.00 C ATOM 0 H ILE A 96 3.948 -4.927 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 96 5.428 -3.295 -3.855 1.00 0.00 H new ATOM 0 HB ILE A 96 6.142 -4.728 -1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.585 -1.774 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.335 -2.894 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.084 -3.191 -1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.184 -4.257 -2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.673 -2.563 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.295 -1.715 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.645 -3.457 0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.915 -2.320 0.238 1.00 0.00 H new ATOM 542 N GLU A 97 6.380 -6.438 -3.597 1.00 0.00 N ATOM 543 CA GLU A 97 7.214 -7.478 -4.266 1.00 0.00 C ATOM 544 C GLU A 97 6.763 -7.639 -5.719 1.00 0.00 C ATOM 545 O GLU A 97 7.566 -7.741 -6.627 1.00 0.00 O ATOM 546 CB GLU A 97 7.032 -8.810 -3.529 1.00 0.00 C ATOM 547 CG GLU A 97 8.132 -9.795 -3.942 1.00 0.00 C ATOM 548 CD GLU A 97 7.904 -10.253 -5.385 1.00 0.00 C ATOM 549 OE1 GLU A 97 6.756 -10.333 -5.788 1.00 0.00 O ATOM 550 OE2 GLU A 97 8.885 -10.511 -6.063 1.00 0.00 O ATOM 0 H GLU A 97 5.805 -6.778 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 97 8.262 -7.180 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.065 -8.646 -2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.052 -9.230 -3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.110 -9.321 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.132 -10.656 -3.273 1.00 0.00 H new ATOM 557 N ARG A 98 5.478 -7.667 -5.936 1.00 0.00 N ATOM 558 CA ARG A 98 4.944 -7.829 -7.319 1.00 0.00 C ATOM 559 C ARG A 98 5.295 -6.599 -8.161 1.00 0.00 C ATOM 560 O ARG A 98 5.639 -6.707 -9.322 1.00 0.00 O ATOM 561 CB ARG A 98 3.420 -7.976 -7.250 1.00 0.00 C ATOM 562 CG ARG A 98 3.057 -9.341 -6.656 1.00 0.00 C ATOM 563 CD ARG A 98 1.534 -9.456 -6.510 1.00 0.00 C ATOM 564 NE ARG A 98 1.065 -8.527 -5.443 1.00 0.00 N ATOM 565 CZ ARG A 98 -0.208 -8.426 -5.160 1.00 0.00 C ATOM 566 NH1 ARG A 98 -1.090 -9.136 -5.813 1.00 0.00 N ATOM 567 NH2 ARG A 98 -0.600 -7.612 -4.220 1.00 0.00 N ATOM 0 H ARG A 98 4.768 -7.584 -5.209 1.00 0.00 H new ATOM 0 HA ARG A 98 5.386 -8.714 -7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.996 -7.179 -6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.990 -7.877 -8.247 1.00 0.00 H new ATOM 0 HG2 ARG A 98 3.431 -10.138 -7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.535 -9.464 -5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 98 1.048 -9.215 -7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.258 -10.481 -6.262 1.00 0.00 H new ATOM 0 HE ARG A 98 1.743 -7.965 -4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.787 -9.774 -6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.081 -9.052 -5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.085 -7.056 -3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.592 -7.531 -3.997 1.00 0.00 H new ATOM 581 N PHE A 99 5.199 -5.430 -7.583 1.00 0.00 N ATOM 582 CA PHE A 99 5.511 -4.175 -8.336 1.00 0.00 C ATOM 583 C PHE A 99 6.898 -3.668 -7.938 1.00 0.00 C ATOM 584 O PHE A 99 7.224 -2.511 -8.121 1.00 0.00 O ATOM 585 CB PHE A 99 4.456 -3.111 -8.011 1.00 0.00 C ATOM 586 CG PHE A 99 3.076 -3.648 -8.331 1.00 0.00 C ATOM 587 CD1 PHE A 99 2.757 -4.030 -9.643 1.00 0.00 C ATOM 588 CD2 PHE A 99 2.112 -3.767 -7.318 1.00 0.00 C ATOM 589 CE1 PHE A 99 1.484 -4.526 -9.940 1.00 0.00 C ATOM 590 CE2 PHE A 99 0.837 -4.264 -7.619 1.00 0.00 C ATOM 591 CZ PHE A 99 0.525 -4.644 -8.928 1.00 0.00 C ATOM 0 H PHE A 99 4.916 -5.288 -6.613 1.00 0.00 H new ATOM 0 HA PHE A 99 5.500 -4.380 -9.406 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.515 -2.836 -6.958 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.648 -2.206 -8.588 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.496 -3.941 -10.425 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.353 -3.475 -6.306 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.241 -4.818 -10.951 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.095 -4.354 -6.840 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.457 -5.029 -9.158 1.00 0.00 H new ATOM 601 N ASN A 100 7.717 -4.528 -7.396 1.00 0.00 N ATOM 602 CA ASN A 100 9.089 -4.107 -6.985 1.00 0.00 C ATOM 603 C ASN A 100 9.890 -3.673 -8.215 1.00 0.00 C ATOM 604 O ASN A 100 10.616 -2.698 -8.184 1.00 0.00 O ATOM 605 CB ASN A 100 9.798 -5.285 -6.307 1.00 0.00 C ATOM 606 CG ASN A 100 11.255 -4.928 -6.000 1.00 0.00 C ATOM 607 OD1 ASN A 100 11.755 -3.913 -6.438 1.00 0.00 O ATOM 608 ND2 ASN A 100 11.963 -5.732 -5.252 1.00 0.00 N ATOM 0 H ASN A 100 7.495 -5.508 -7.219 1.00 0.00 H new ATOM 0 HA ASN A 100 9.016 -3.270 -6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.279 -5.547 -5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.761 -6.161 -6.954 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.934 -5.506 -5.037 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.545 -6.586 -4.883 1.00 0.00 H new ATOM 615 N THR A 101 9.771 -4.394 -9.300 1.00 0.00 N ATOM 616 CA THR A 101 10.529 -4.029 -10.536 1.00 0.00 C ATOM 617 C THR A 101 9.623 -3.220 -11.459 1.00 0.00 C ATOM 618 O THR A 101 10.076 -2.590 -12.397 1.00 0.00 O ATOM 619 CB THR A 101 10.978 -5.308 -11.256 1.00 0.00 C ATOM 620 OG1 THR A 101 9.836 -6.005 -11.740 1.00 0.00 O ATOM 621 CG2 THR A 101 11.752 -6.202 -10.285 1.00 0.00 C ATOM 0 H THR A 101 9.181 -5.222 -9.384 1.00 0.00 H new ATOM 0 HA THR A 101 11.404 -3.437 -10.268 1.00 0.00 H new ATOM 0 HB THR A 101 11.624 -5.044 -12.093 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.122 -6.821 -12.201 1.00 0.00 H new ATOM 0 HG21 THR A 101 12.069 -7.109 -10.800 1.00 0.00 H new ATOM 0 HG22 THR A 101 12.628 -5.668 -9.918 1.00 0.00 H new ATOM 0 HG23 THR A 101 11.111 -6.467 -9.445 1.00 0.00 H new ATOM 629 N LYS A 102 8.338 -3.233 -11.202 1.00 0.00 N ATOM 630 CA LYS A 102 7.384 -2.470 -12.065 1.00 0.00 C ATOM 631 C LYS A 102 6.986 -1.153 -11.373 1.00 0.00 C ATOM 632 O LYS A 102 6.861 -1.100 -10.164 1.00 0.00 O ATOM 633 CB LYS A 102 6.129 -3.312 -12.306 1.00 0.00 C ATOM 634 CG LYS A 102 6.536 -4.760 -12.579 1.00 0.00 C ATOM 635 CD LYS A 102 5.327 -5.551 -13.081 1.00 0.00 C ATOM 636 CE LYS A 102 5.676 -7.039 -13.138 1.00 0.00 C ATOM 637 NZ LYS A 102 5.877 -7.557 -11.754 1.00 0.00 N ATOM 0 H LYS A 102 7.908 -3.741 -10.429 1.00 0.00 H new ATOM 0 HA LYS A 102 7.866 -2.245 -13.016 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.473 -3.264 -11.437 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.567 -2.915 -13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.335 -4.790 -13.320 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.928 -5.215 -11.669 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.475 -5.392 -12.420 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.033 -5.198 -14.069 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.877 -7.592 -13.632 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.580 -7.189 -13.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.868 -7.850 -11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.651 -6.809 -11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.253 -8.374 -11.595 1.00 0.00 H new ATOM 651 N PRO A 103 6.780 -0.100 -12.130 1.00 0.00 N ATOM 652 CA PRO A 103 6.379 1.224 -11.574 1.00 0.00 C ATOM 653 C PRO A 103 4.938 1.229 -11.054 1.00 0.00 C ATOM 654 O PRO A 103 4.126 0.408 -11.425 1.00 0.00 O ATOM 655 CB PRO A 103 6.542 2.189 -12.761 1.00 0.00 C ATOM 656 CG PRO A 103 6.411 1.337 -13.985 1.00 0.00 C ATOM 657 CD PRO A 103 6.908 -0.057 -13.597 1.00 0.00 C ATOM 0 HA PRO A 103 6.985 1.500 -10.711 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.780 2.969 -12.741 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.510 2.689 -12.731 1.00 0.00 H new ATOM 0 HG2 PRO A 103 5.375 1.300 -14.323 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.000 1.744 -14.807 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.311 -0.837 -14.070 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.941 -0.211 -13.910 1.00 0.00 H new ATOM 665 N ILE A 104 4.633 2.160 -10.197 1.00 0.00 N ATOM 666 CA ILE A 104 3.259 2.264 -9.633 1.00 0.00 C ATOM 667 C ILE A 104 2.285 2.705 -10.733 1.00 0.00 C ATOM 668 O ILE A 104 1.102 2.432 -10.683 1.00 0.00 O ATOM 669 CB ILE A 104 3.265 3.302 -8.503 1.00 0.00 C ATOM 670 CG1 ILE A 104 1.926 3.259 -7.761 1.00 0.00 C ATOM 671 CG2 ILE A 104 3.488 4.707 -9.077 1.00 0.00 C ATOM 672 CD1 ILE A 104 1.994 4.139 -6.507 1.00 0.00 C ATOM 0 H ILE A 104 5.288 2.865 -9.858 1.00 0.00 H new ATOM 0 HA ILE A 104 2.943 1.296 -9.244 1.00 0.00 H new ATOM 0 HB ILE A 104 4.075 3.069 -7.811 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.126 3.606 -8.416 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.688 2.232 -7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.490 5.435 -8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.445 4.740 -9.597 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.687 4.946 -9.777 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.038 4.103 -5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.781 3.773 -5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.211 5.167 -6.796 1.00 0.00 H new ATOM 684 N GLN A 105 2.788 3.409 -11.713 1.00 0.00 N ATOM 685 CA GLN A 105 1.920 3.913 -12.821 1.00 0.00 C ATOM 686 C GLN A 105 1.190 2.745 -13.496 1.00 0.00 C ATOM 687 O GLN A 105 0.313 2.942 -14.316 1.00 0.00 O ATOM 688 CB GLN A 105 2.794 4.624 -13.860 1.00 0.00 C ATOM 689 CG GLN A 105 3.487 5.822 -13.207 1.00 0.00 C ATOM 690 CD GLN A 105 4.380 6.535 -14.231 1.00 0.00 C ATOM 691 OE1 GLN A 105 4.372 6.201 -15.399 1.00 0.00 O ATOM 692 NE2 GLN A 105 5.156 7.510 -13.836 1.00 0.00 N ATOM 0 H GLN A 105 3.773 3.659 -11.795 1.00 0.00 H new ATOM 0 HA GLN A 105 1.184 4.605 -12.410 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.537 3.934 -14.260 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.183 4.956 -14.699 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.742 6.515 -12.817 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.086 5.488 -12.360 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.163 7.791 -12.855 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.754 7.990 -14.508 1.00 0.00 H new ATOM 701 N THR A 106 1.545 1.532 -13.167 1.00 0.00 N ATOM 702 CA THR A 106 0.876 0.356 -13.800 1.00 0.00 C ATOM 703 C THR A 106 -0.388 -0.015 -13.018 1.00 0.00 C ATOM 704 O THR A 106 -1.201 -0.796 -13.473 1.00 0.00 O ATOM 705 CB THR A 106 1.842 -0.836 -13.790 1.00 0.00 C ATOM 706 OG1 THR A 106 1.266 -1.910 -14.522 1.00 0.00 O ATOM 707 CG2 THR A 106 2.111 -1.290 -12.345 1.00 0.00 C ATOM 0 H THR A 106 2.270 1.303 -12.487 1.00 0.00 H new ATOM 0 HA THR A 106 0.601 0.608 -14.824 1.00 0.00 H new ATOM 0 HB THR A 106 2.784 -0.536 -14.248 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.313 -1.982 -14.303 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.798 -2.136 -12.351 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.553 -0.468 -11.782 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.173 -1.588 -11.877 1.00 0.00 H new ATOM 715 N ILE A 107 -0.567 0.539 -11.846 1.00 0.00 N ATOM 716 CA ILE A 107 -1.786 0.212 -11.040 1.00 0.00 C ATOM 717 C ILE A 107 -2.888 1.229 -11.337 1.00 0.00 C ATOM 718 O ILE A 107 -2.740 2.415 -11.109 1.00 0.00 O ATOM 719 CB ILE A 107 -1.441 0.231 -9.547 1.00 0.00 C ATOM 720 CG1 ILE A 107 -0.449 -0.899 -9.251 1.00 0.00 C ATOM 721 CG2 ILE A 107 -2.714 0.020 -8.722 1.00 0.00 C ATOM 722 CD1 ILE A 107 0.113 -0.740 -7.838 1.00 0.00 C ATOM 0 H ILE A 107 0.075 1.202 -11.412 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.140 -0.783 -11.309 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.998 1.192 -9.285 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.945 -1.865 -9.348 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.362 -0.883 -9.979 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.466 0.034 -7.661 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.425 0.817 -8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -3.158 -0.942 -8.978 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.817 -1.546 -7.634 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.625 0.219 -7.756 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.702 -0.779 -7.116 1.00 0.00 H new ATOM 734 N LYS A 108 -3.993 0.761 -11.857 1.00 0.00 N ATOM 735 CA LYS A 108 -5.131 1.669 -12.197 1.00 0.00 C ATOM 736 C LYS A 108 -6.248 1.530 -11.162 1.00 0.00 C ATOM 737 O LYS A 108 -6.101 0.876 -10.148 1.00 0.00 O ATOM 738 CB LYS A 108 -5.686 1.299 -13.575 1.00 0.00 C ATOM 739 CG LYS A 108 -4.672 1.679 -14.656 1.00 0.00 C ATOM 740 CD LYS A 108 -5.283 1.454 -16.046 1.00 0.00 C ATOM 741 CE LYS A 108 -5.381 -0.045 -16.347 1.00 0.00 C ATOM 742 NZ LYS A 108 -5.630 -0.244 -17.802 1.00 0.00 N ATOM 0 H LYS A 108 -4.158 -0.224 -12.063 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.768 2.697 -12.202 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.896 0.230 -13.619 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.629 1.816 -13.749 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.380 2.723 -14.542 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.768 1.081 -14.545 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.273 1.907 -16.093 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.672 1.945 -16.803 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.459 -0.547 -16.053 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -6.187 -0.492 -15.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.697 -1.261 -18.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -6.521 0.222 -18.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.847 0.168 -18.348 1.00 0.00 H new ATOM 756 N LYS A 109 -7.364 2.152 -11.426 1.00 0.00 N ATOM 757 CA LYS A 109 -8.519 2.086 -10.484 1.00 0.00 C ATOM 758 C LYS A 109 -9.000 0.642 -10.360 1.00 0.00 C ATOM 759 O LYS A 109 -9.262 0.149 -9.279 1.00 0.00 O ATOM 760 CB LYS A 109 -9.663 2.943 -11.034 1.00 0.00 C ATOM 761 CG LYS A 109 -10.810 2.984 -10.021 1.00 0.00 C ATOM 762 CD LYS A 109 -11.936 3.875 -10.555 1.00 0.00 C ATOM 763 CE LYS A 109 -13.076 3.928 -9.534 1.00 0.00 C ATOM 764 NZ LYS A 109 -14.174 4.791 -10.057 1.00 0.00 N ATOM 0 H LYS A 109 -7.527 2.710 -12.264 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.209 2.454 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -9.308 3.953 -11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.015 2.533 -11.980 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -11.185 1.977 -9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.451 3.367 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.559 4.880 -10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.303 3.485 -11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.451 2.923 -9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.711 4.321 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.948 4.827 -9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.812 5.752 -10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.529 4.397 -10.952 1.00 0.00 H new ATOM 778 N HIS A 110 -9.124 -0.033 -11.470 1.00 0.00 N ATOM 779 CA HIS A 110 -9.595 -1.446 -11.446 1.00 0.00 C ATOM 780 C HIS A 110 -8.561 -2.319 -10.731 1.00 0.00 C ATOM 781 O HIS A 110 -8.891 -3.134 -9.891 1.00 0.00 O ATOM 782 CB HIS A 110 -9.764 -1.941 -12.885 1.00 0.00 C ATOM 783 CG HIS A 110 -10.973 -1.297 -13.504 1.00 0.00 C ATOM 784 ND1 HIS A 110 -10.939 -0.019 -14.046 1.00 0.00 N ATOM 785 CD2 HIS A 110 -12.261 -1.741 -13.679 1.00 0.00 C ATOM 786 CE1 HIS A 110 -12.170 0.256 -14.514 1.00 0.00 C ATOM 787 NE2 HIS A 110 -13.014 -0.761 -14.316 1.00 0.00 N ATOM 0 H HIS A 110 -8.918 0.337 -12.398 1.00 0.00 H new ATOM 0 HA HIS A 110 -10.547 -1.505 -10.918 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -8.875 -1.703 -13.468 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -9.872 -3.026 -12.896 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -12.633 -2.706 -13.368 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -12.443 1.185 -14.992 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -13.999 -0.808 -14.576 1.00 0.00 H new ATOM 795 N ASP A 111 -7.310 -2.150 -11.064 1.00 0.00 N ATOM 796 CA ASP A 111 -6.238 -2.961 -10.414 1.00 0.00 C ATOM 797 C ASP A 111 -6.169 -2.621 -8.923 1.00 0.00 C ATOM 798 O ASP A 111 -6.008 -3.484 -8.082 1.00 0.00 O ATOM 799 CB ASP A 111 -4.892 -2.639 -11.067 1.00 0.00 C ATOM 800 CG ASP A 111 -4.844 -3.246 -12.470 1.00 0.00 C ATOM 801 OD1 ASP A 111 -5.690 -4.074 -12.766 1.00 0.00 O ATOM 802 OD2 ASP A 111 -3.961 -2.873 -13.227 1.00 0.00 O ATOM 0 H ASP A 111 -6.982 -1.482 -11.762 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.462 -4.021 -10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.752 -1.559 -11.122 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.078 -3.035 -10.460 1.00 0.00 H new ATOM 807 N TYR A 112 -6.287 -1.361 -8.596 1.00 0.00 N ATOM 808 CA TYR A 112 -6.230 -0.939 -7.166 1.00 0.00 C ATOM 809 C TYR A 112 -7.384 -1.587 -6.398 1.00 0.00 C ATOM 810 O TYR A 112 -7.214 -2.093 -5.305 1.00 0.00 O ATOM 811 CB TYR A 112 -6.352 0.585 -7.081 1.00 0.00 C ATOM 812 CG TYR A 112 -6.385 1.013 -5.631 1.00 0.00 C ATOM 813 CD1 TYR A 112 -5.196 1.099 -4.899 1.00 0.00 C ATOM 814 CD2 TYR A 112 -7.608 1.323 -5.020 1.00 0.00 C ATOM 815 CE1 TYR A 112 -5.228 1.497 -3.556 1.00 0.00 C ATOM 816 CE2 TYR A 112 -7.639 1.721 -3.678 1.00 0.00 C ATOM 817 CZ TYR A 112 -6.450 1.806 -2.945 1.00 0.00 C ATOM 818 OH TYR A 112 -6.481 2.198 -1.622 1.00 0.00 O ATOM 0 H TYR A 112 -6.421 -0.601 -9.263 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.282 -1.253 -6.730 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.511 1.056 -7.590 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.258 0.916 -7.589 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.254 0.859 -5.369 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -8.526 1.255 -5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -4.310 1.566 -2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -8.581 1.963 -3.208 1.00 0.00 H new ATOM 0 HH TYR A 112 -7.351 2.601 -1.421 1.00 0.00 H new ATOM 828 N GLN A 113 -8.557 -1.570 -6.968 1.00 0.00 N ATOM 829 CA GLN A 113 -9.735 -2.179 -6.287 1.00 0.00 C ATOM 830 C GLN A 113 -9.513 -3.688 -6.145 1.00 0.00 C ATOM 831 O GLN A 113 -9.869 -4.293 -5.152 1.00 0.00 O ATOM 832 CB GLN A 113 -11.000 -1.920 -7.122 1.00 0.00 C ATOM 833 CG GLN A 113 -12.234 -1.956 -6.216 1.00 0.00 C ATOM 834 CD GLN A 113 -12.323 -3.320 -5.529 1.00 0.00 C ATOM 835 OE1 GLN A 113 -12.296 -4.347 -6.178 1.00 0.00 O ATOM 836 NE2 GLN A 113 -12.427 -3.374 -4.228 1.00 0.00 N ATOM 0 H GLN A 113 -8.752 -1.158 -7.881 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.857 -1.735 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -10.929 -0.951 -7.617 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.090 -2.672 -7.906 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.173 -1.164 -5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.134 -1.773 -6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -12.450 -2.513 -3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.485 -4.277 -3.758 1.00 0.00 H new ATOM 845 N ARG A 114 -8.928 -4.293 -7.143 1.00 0.00 N ATOM 846 CA ARG A 114 -8.672 -5.762 -7.091 1.00 0.00 C ATOM 847 C ARG A 114 -7.738 -6.069 -5.920 1.00 0.00 C ATOM 848 O ARG A 114 -7.925 -7.026 -5.192 1.00 0.00 O ATOM 849 CB ARG A 114 -8.010 -6.210 -8.400 1.00 0.00 C ATOM 850 CG ARG A 114 -7.820 -7.731 -8.387 1.00 0.00 C ATOM 851 CD ARG A 114 -7.164 -8.189 -9.695 1.00 0.00 C ATOM 852 NE ARG A 114 -5.788 -7.621 -9.790 1.00 0.00 N ATOM 853 CZ ARG A 114 -5.062 -7.810 -10.864 1.00 0.00 C ATOM 854 NH1 ARG A 114 -5.539 -8.481 -11.880 1.00 0.00 N ATOM 855 NH2 ARG A 114 -3.855 -7.319 -10.922 1.00 0.00 N ATOM 0 H ARG A 114 -8.615 -3.831 -7.997 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.614 -6.294 -6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -8.627 -5.918 -9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -7.047 -5.714 -8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -7.200 -8.021 -7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -8.783 -8.225 -8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.122 -9.278 -9.731 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -7.762 -7.865 -10.547 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.409 -7.081 -9.012 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -6.484 -8.863 -11.841 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.966 -8.623 -12.712 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.481 -6.791 -10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -3.285 -7.463 -11.756 1.00 0.00 H new ATOM 869 N PHE A 115 -6.732 -5.260 -5.738 1.00 0.00 N ATOM 870 CA PHE A 115 -5.770 -5.485 -4.621 1.00 0.00 C ATOM 871 C PHE A 115 -6.519 -5.439 -3.289 1.00 0.00 C ATOM 872 O PHE A 115 -6.306 -6.258 -2.417 1.00 0.00 O ATOM 873 CB PHE A 115 -4.698 -4.391 -4.641 1.00 0.00 C ATOM 874 CG PHE A 115 -3.811 -4.535 -3.426 1.00 0.00 C ATOM 875 CD1 PHE A 115 -2.978 -5.651 -3.302 1.00 0.00 C ATOM 876 CD2 PHE A 115 -3.826 -3.558 -2.421 1.00 0.00 C ATOM 877 CE1 PHE A 115 -2.161 -5.793 -2.174 1.00 0.00 C ATOM 878 CE2 PHE A 115 -3.008 -3.699 -1.295 1.00 0.00 C ATOM 879 CZ PHE A 115 -2.175 -4.817 -1.171 1.00 0.00 C ATOM 0 H PHE A 115 -6.533 -4.446 -6.319 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.296 -6.459 -4.740 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.102 -4.467 -5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.167 -3.407 -4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.965 -6.404 -4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.469 -2.696 -2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.519 -6.656 -2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.019 -2.945 -0.521 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.543 -4.926 -0.302 1.00 0.00 H new ATOM 889 N VAL A 116 -7.390 -4.480 -3.131 1.00 0.00 N ATOM 890 CA VAL A 116 -8.161 -4.357 -1.860 1.00 0.00 C ATOM 891 C VAL A 116 -8.998 -5.624 -1.654 1.00 0.00 C ATOM 892 O VAL A 116 -9.057 -6.180 -0.574 1.00 0.00 O ATOM 893 CB VAL A 116 -9.093 -3.143 -1.953 1.00 0.00 C ATOM 894 CG1 VAL A 116 -10.010 -3.100 -0.727 1.00 0.00 C ATOM 895 CG2 VAL A 116 -8.257 -1.861 -2.012 1.00 0.00 C ATOM 0 H VAL A 116 -7.602 -3.771 -3.833 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.475 -4.231 -1.022 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.701 -3.223 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -10.671 -2.236 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -10.607 -4.011 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.406 -3.022 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -8.919 -0.998 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -7.647 -1.783 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -7.609 -1.889 -2.888 1.00 0.00 H new ATOM 905 N ASP A 117 -9.646 -6.074 -2.692 1.00 0.00 N ATOM 906 CA ASP A 117 -10.488 -7.302 -2.595 1.00 0.00 C ATOM 907 C ASP A 117 -9.600 -8.520 -2.315 1.00 0.00 C ATOM 908 O ASP A 117 -9.969 -9.421 -1.587 1.00 0.00 O ATOM 909 CB ASP A 117 -11.224 -7.507 -3.922 1.00 0.00 C ATOM 910 CG ASP A 117 -12.108 -8.752 -3.835 1.00 0.00 C ATOM 911 OD1 ASP A 117 -12.013 -9.453 -2.841 1.00 0.00 O ATOM 912 OD2 ASP A 117 -12.863 -8.982 -4.764 1.00 0.00 O ATOM 0 H ASP A 117 -9.629 -5.639 -3.614 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.206 -7.188 -1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -11.833 -6.632 -4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -10.505 -7.616 -4.734 1.00 0.00 H new ATOM 917 N ASP A 118 -8.436 -8.552 -2.908 1.00 0.00 N ATOM 918 CA ASP A 118 -7.511 -9.707 -2.707 1.00 0.00 C ATOM 919 C ASP A 118 -7.155 -9.849 -1.224 1.00 0.00 C ATOM 920 O ASP A 118 -7.219 -10.924 -0.658 1.00 0.00 O ATOM 921 CB ASP A 118 -6.230 -9.465 -3.509 1.00 0.00 C ATOM 922 CG ASP A 118 -5.237 -10.602 -3.258 1.00 0.00 C ATOM 923 OD1 ASP A 118 -5.572 -11.734 -3.565 1.00 0.00 O ATOM 924 OD2 ASP A 118 -4.158 -10.320 -2.766 1.00 0.00 O ATOM 0 H ASP A 118 -8.083 -7.822 -3.528 1.00 0.00 H new ATOM 0 HA ASP A 118 -8.001 -10.620 -3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -6.462 -9.401 -4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -5.785 -8.512 -3.222 1.00 0.00 H new ATOM 929 N ILE A 119 -6.775 -8.769 -0.595 1.00 0.00 N ATOM 930 CA ILE A 119 -6.406 -8.828 0.849 1.00 0.00 C ATOM 931 C ILE A 119 -7.662 -9.015 1.705 1.00 0.00 C ATOM 932 O ILE A 119 -7.608 -9.521 2.809 1.00 0.00 O ATOM 933 CB ILE A 119 -5.695 -7.528 1.248 1.00 0.00 C ATOM 934 CG1 ILE A 119 -6.591 -6.321 0.934 1.00 0.00 C ATOM 935 CG2 ILE A 119 -4.385 -7.406 0.468 1.00 0.00 C ATOM 936 CD1 ILE A 119 -5.940 -5.043 1.471 1.00 0.00 C ATOM 0 H ILE A 119 -6.704 -7.845 -1.021 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.738 -9.673 1.014 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.486 -7.548 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.743 -6.239 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.574 -6.458 1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.878 -6.483 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.744 -8.257 0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -4.598 -7.391 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.578 -4.188 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -5.811 -5.126 2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -4.968 -4.904 0.999 1.00 0.00 H new ATOM 948 N SER A 120 -8.793 -8.607 1.197 1.00 0.00 N ATOM 949 CA SER A 120 -10.062 -8.752 1.968 1.00 0.00 C ATOM 950 C SER A 120 -10.344 -10.235 2.213 1.00 0.00 C ATOM 951 O SER A 120 -10.771 -10.633 3.281 1.00 0.00 O ATOM 952 CB SER A 120 -11.217 -8.145 1.170 1.00 0.00 C ATOM 953 OG SER A 120 -12.415 -8.245 1.928 1.00 0.00 O ATOM 0 H SER A 120 -8.894 -8.178 0.277 1.00 0.00 H new ATOM 0 HA SER A 120 -9.965 -8.235 2.923 1.00 0.00 H new ATOM 0 HB2 SER A 120 -11.005 -7.101 0.939 1.00 0.00 H new ATOM 0 HB3 SER A 120 -11.330 -8.665 0.219 1.00 0.00 H new ATOM 0 HG SER A 120 -13.157 -7.855 1.420 1.00 0.00 H new ATOM 959 N ALA A 121 -10.113 -11.053 1.221 1.00 0.00 N ATOM 960 CA ALA A 121 -10.368 -12.515 1.372 1.00 0.00 C ATOM 961 C ALA A 121 -9.249 -13.148 2.198 1.00 0.00 C ATOM 962 O ALA A 121 -9.356 -14.273 2.647 1.00 0.00 O ATOM 963 CB ALA A 121 -10.399 -13.163 -0.012 1.00 0.00 C ATOM 0 H ALA A 121 -9.757 -10.770 0.308 1.00 0.00 H new ATOM 0 HA ALA A 121 -11.322 -12.668 1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -10.585 -14.232 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -11.193 -12.712 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -9.441 -13.008 -0.508 1.00 0.00 H new ATOM 969 N GLN A 122 -8.176 -12.428 2.405 1.00 0.00 N ATOM 970 CA GLN A 122 -7.035 -12.968 3.210 1.00 0.00 C ATOM 971 C GLN A 122 -7.004 -12.267 4.565 1.00 0.00 C ATOM 972 O GLN A 122 -6.408 -12.745 5.509 1.00 0.00 O ATOM 973 CB GLN A 122 -5.722 -12.705 2.469 1.00 0.00 C ATOM 974 CG GLN A 122 -5.664 -13.583 1.219 1.00 0.00 C ATOM 975 CD GLN A 122 -4.389 -13.282 0.427 1.00 0.00 C ATOM 976 OE1 GLN A 122 -3.553 -12.515 0.862 1.00 0.00 O ATOM 977 NE2 GLN A 122 -4.207 -13.861 -0.729 1.00 0.00 N ATOM 0 H GLN A 122 -8.039 -11.482 2.049 1.00 0.00 H new ATOM 0 HA GLN A 122 -7.161 -14.041 3.355 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.651 -11.653 2.192 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.874 -12.921 3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.686 -14.635 1.502 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.540 -13.402 0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -4.909 -14.505 -1.093 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -3.362 -13.670 -1.268 1.00 0.00 H new ATOM 986 N TYR A 123 -7.646 -11.128 4.666 1.00 0.00 N ATOM 987 CA TYR A 123 -7.665 -10.372 5.959 1.00 0.00 C ATOM 988 C TYR A 123 -9.085 -9.903 6.277 1.00 0.00 C ATOM 989 O TYR A 123 -9.910 -9.716 5.403 1.00 0.00 O ATOM 990 CB TYR A 123 -6.734 -9.164 5.861 1.00 0.00 C ATOM 991 CG TYR A 123 -5.299 -9.628 5.937 1.00 0.00 C ATOM 992 CD1 TYR A 123 -4.641 -10.076 4.786 1.00 0.00 C ATOM 993 CD2 TYR A 123 -4.629 -9.612 7.165 1.00 0.00 C ATOM 994 CE1 TYR A 123 -3.312 -10.508 4.865 1.00 0.00 C ATOM 995 CE2 TYR A 123 -3.302 -10.043 7.246 1.00 0.00 C ATOM 996 CZ TYR A 123 -2.642 -10.492 6.096 1.00 0.00 C ATOM 997 OH TYR A 123 -1.332 -10.918 6.175 1.00 0.00 O ATOM 0 H TYR A 123 -8.161 -10.687 3.904 1.00 0.00 H new ATOM 0 HA TYR A 123 -7.324 -11.030 6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -6.907 -8.633 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -6.944 -8.463 6.669 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -5.158 -10.088 3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -5.138 -9.266 8.052 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -2.803 -10.854 3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -2.786 -10.030 8.195 1.00 0.00 H new ATOM 0 HH TYR A 123 -1.018 -10.841 7.100 1.00 0.00 H new ATOM 1007 N SER A 124 -9.364 -9.728 7.539 1.00 0.00 N ATOM 1008 CA SER A 124 -10.719 -9.289 7.974 1.00 0.00 C ATOM 1009 C SER A 124 -11.016 -7.872 7.481 1.00 0.00 C ATOM 1010 O SER A 124 -10.134 -7.126 7.098 1.00 0.00 O ATOM 1011 CB SER A 124 -10.792 -9.325 9.500 1.00 0.00 C ATOM 1012 OG SER A 124 -12.153 -9.276 9.907 1.00 0.00 O ATOM 0 H SER A 124 -8.699 -9.873 8.299 1.00 0.00 H new ATOM 0 HA SER A 124 -11.461 -9.964 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.320 -10.233 9.877 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.244 -8.482 9.922 1.00 0.00 H new ATOM 0 HG SER A 124 -12.203 -9.301 10.885 1.00 0.00 H new ATOM 1018 N LYS A 125 -12.269 -7.511 7.493 1.00 0.00 N ATOM 1019 CA LYS A 125 -12.683 -6.157 7.030 1.00 0.00 C ATOM 1020 C LYS A 125 -12.026 -5.084 7.902 1.00 0.00 C ATOM 1021 O LYS A 125 -11.688 -4.012 7.438 1.00 0.00 O ATOM 1022 CB LYS A 125 -14.208 -6.036 7.147 1.00 0.00 C ATOM 1023 CG LYS A 125 -14.666 -4.706 6.541 1.00 0.00 C ATOM 1024 CD LYS A 125 -16.195 -4.615 6.587 1.00 0.00 C ATOM 1025 CE LYS A 125 -16.649 -3.292 5.963 1.00 0.00 C ATOM 1026 NZ LYS A 125 -18.138 -3.216 5.989 1.00 0.00 N ATOM 0 H LYS A 125 -13.035 -8.106 7.809 1.00 0.00 H new ATOM 0 HA LYS A 125 -12.373 -6.017 5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.689 -6.867 6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -14.508 -6.093 8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -14.226 -3.874 7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -14.318 -4.626 5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -16.636 -5.453 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -16.543 -4.681 7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -16.222 -2.453 6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -16.288 -3.219 4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -18.447 -2.318 5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -18.536 -4.009 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -18.471 -3.268 6.973 1.00 0.00 H new ATOM 1040 N ASN A 126 -11.856 -5.364 9.166 1.00 0.00 N ATOM 1041 CA ASN A 126 -11.234 -4.365 10.087 1.00 0.00 C ATOM 1042 C ASN A 126 -9.797 -4.067 9.648 1.00 0.00 C ATOM 1043 O ASN A 126 -9.361 -2.932 9.640 1.00 0.00 O ATOM 1044 CB ASN A 126 -11.213 -4.943 11.505 1.00 0.00 C ATOM 1045 CG ASN A 126 -12.642 -5.062 12.039 1.00 0.00 C ATOM 1046 OD1 ASN A 126 -12.941 -5.951 12.812 1.00 0.00 O ATOM 1047 ND2 ASN A 126 -13.542 -4.195 11.664 1.00 0.00 N ATOM 0 H ASN A 126 -12.122 -6.246 9.604 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.814 -3.443 10.062 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.734 -5.922 11.501 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -10.623 -4.302 12.160 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -14.496 -4.264 12.020 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -13.292 -3.449 11.015 1.00 0.00 H new ATOM 1054 N TYR A 127 -9.061 -5.081 9.286 1.00 0.00 N ATOM 1055 CA TYR A 127 -7.648 -4.876 8.846 1.00 0.00 C ATOM 1056 C TYR A 127 -7.623 -4.164 7.490 1.00 0.00 C ATOM 1057 O TYR A 127 -6.739 -3.382 7.200 1.00 0.00 O ATOM 1058 CB TYR A 127 -6.954 -6.237 8.715 1.00 0.00 C ATOM 1059 CG TYR A 127 -6.560 -6.742 10.083 1.00 0.00 C ATOM 1060 CD1 TYR A 127 -5.583 -6.062 10.817 1.00 0.00 C ATOM 1061 CD2 TYR A 127 -7.169 -7.883 10.620 1.00 0.00 C ATOM 1062 CE1 TYR A 127 -5.212 -6.519 12.086 1.00 0.00 C ATOM 1063 CE2 TYR A 127 -6.801 -8.342 11.889 1.00 0.00 C ATOM 1064 CZ TYR A 127 -5.821 -7.660 12.622 1.00 0.00 C ATOM 1065 OH TYR A 127 -5.457 -8.112 13.873 1.00 0.00 O ATOM 0 H TYR A 127 -9.378 -6.050 9.275 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.128 -4.265 9.584 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -7.621 -6.951 8.232 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.071 -6.146 8.082 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -5.114 -5.182 10.403 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.923 -8.409 10.054 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -4.457 -5.993 12.651 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.272 -9.221 12.303 1.00 0.00 H new ATOM 0 HH TYR A 127 -5.976 -8.913 14.095 1.00 0.00 H new ATOM 1075 N VAL A 128 -8.585 -4.446 6.657 1.00 0.00 N ATOM 1076 CA VAL A 128 -8.630 -3.813 5.308 1.00 0.00 C ATOM 1077 C VAL A 128 -8.728 -2.290 5.448 1.00 0.00 C ATOM 1078 O VAL A 128 -8.059 -1.546 4.756 1.00 0.00 O ATOM 1079 CB VAL A 128 -9.859 -4.332 4.551 1.00 0.00 C ATOM 1080 CG1 VAL A 128 -10.050 -3.531 3.257 1.00 0.00 C ATOM 1081 CG2 VAL A 128 -9.667 -5.814 4.209 1.00 0.00 C ATOM 0 H VAL A 128 -9.349 -5.093 6.854 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.721 -4.064 4.761 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.741 -4.215 5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -10.924 -3.904 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.195 -2.478 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.167 -3.641 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.542 -6.180 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.782 -5.931 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.541 -6.386 5.128 1.00 0.00 H new ATOM 1091 N ASP A 129 -9.570 -1.827 6.329 1.00 0.00 N ATOM 1092 CA ASP A 129 -9.740 -0.355 6.512 1.00 0.00 C ATOM 1093 C ASP A 129 -8.385 0.297 6.811 1.00 0.00 C ATOM 1094 O ASP A 129 -8.016 1.291 6.214 1.00 0.00 O ATOM 1095 CB ASP A 129 -10.684 -0.108 7.693 1.00 0.00 C ATOM 1096 CG ASP A 129 -10.872 1.396 7.902 1.00 0.00 C ATOM 1097 OD1 ASP A 129 -10.196 2.155 7.228 1.00 0.00 O ATOM 1098 OD2 ASP A 129 -11.689 1.761 8.731 1.00 0.00 O ATOM 0 H ASP A 129 -10.152 -2.406 6.934 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.152 0.077 5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.648 -0.581 7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.277 -0.562 8.597 1.00 0.00 H new ATOM 1103 N SER A 130 -7.650 -0.252 7.738 1.00 0.00 N ATOM 1104 CA SER A 130 -6.319 0.326 8.093 1.00 0.00 C ATOM 1105 C SER A 130 -5.345 0.180 6.917 1.00 0.00 C ATOM 1106 O SER A 130 -4.582 1.077 6.611 1.00 0.00 O ATOM 1107 CB SER A 130 -5.760 -0.421 9.303 1.00 0.00 C ATOM 1108 OG SER A 130 -6.554 -0.126 10.446 1.00 0.00 O ATOM 0 H SER A 130 -7.914 -1.082 8.269 1.00 0.00 H new ATOM 0 HA SER A 130 -6.439 1.384 8.324 1.00 0.00 H new ATOM 0 HB2 SER A 130 -5.759 -1.494 9.114 1.00 0.00 H new ATOM 0 HB3 SER A 130 -4.725 -0.128 9.479 1.00 0.00 H new ATOM 0 HG SER A 130 -6.199 -0.605 11.224 1.00 0.00 H new ATOM 1114 N ILE A 131 -5.358 -0.954 6.269 1.00 0.00 N ATOM 1115 CA ILE A 131 -4.432 -1.184 5.118 1.00 0.00 C ATOM 1116 C ILE A 131 -4.779 -0.228 3.971 1.00 0.00 C ATOM 1117 O ILE A 131 -3.912 0.346 3.339 1.00 0.00 O ATOM 1118 CB ILE A 131 -4.571 -2.634 4.634 1.00 0.00 C ATOM 1119 CG1 ILE A 131 -4.035 -3.587 5.707 1.00 0.00 C ATOM 1120 CG2 ILE A 131 -3.766 -2.823 3.342 1.00 0.00 C ATOM 1121 CD1 ILE A 131 -4.479 -5.017 5.390 1.00 0.00 C ATOM 0 H ILE A 131 -5.974 -1.737 6.488 1.00 0.00 H new ATOM 0 HA ILE A 131 -3.407 -1.001 5.440 1.00 0.00 H new ATOM 0 HB ILE A 131 -5.622 -2.851 4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.947 -3.533 5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.404 -3.290 6.689 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.865 -3.853 2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -4.145 -2.147 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.715 -2.604 3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -4.097 -5.694 6.154 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.568 -5.065 5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.089 -5.312 4.416 1.00 0.00 H new ATOM 1133 N VAL A 132 -6.044 -0.068 3.694 1.00 0.00 N ATOM 1134 CA VAL A 132 -6.470 0.836 2.585 1.00 0.00 C ATOM 1135 C VAL A 132 -6.031 2.271 2.892 1.00 0.00 C ATOM 1136 O VAL A 132 -5.528 2.976 2.037 1.00 0.00 O ATOM 1137 CB VAL A 132 -7.999 0.786 2.452 1.00 0.00 C ATOM 1138 CG1 VAL A 132 -8.474 1.881 1.489 1.00 0.00 C ATOM 1139 CG2 VAL A 132 -8.423 -0.584 1.912 1.00 0.00 C ATOM 0 H VAL A 132 -6.807 -0.527 4.191 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.009 0.511 1.652 1.00 0.00 H new ATOM 0 HB VAL A 132 -8.448 0.948 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -9.560 1.840 1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -8.178 2.857 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -8.022 1.725 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -9.508 -0.618 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -7.969 -0.746 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -8.094 -1.364 2.599 1.00 0.00 H new ATOM 1149 N ALA A 133 -6.230 2.706 4.106 1.00 0.00 N ATOM 1150 CA ALA A 133 -5.842 4.096 4.487 1.00 0.00 C ATOM 1151 C ALA A 133 -4.346 4.305 4.235 1.00 0.00 C ATOM 1152 O ALA A 133 -3.936 5.268 3.616 1.00 0.00 O ATOM 1153 CB ALA A 133 -6.135 4.306 5.974 1.00 0.00 C ATOM 0 H ALA A 133 -6.647 2.155 4.856 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.411 4.808 3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -5.854 5.319 6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -7.199 4.158 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -5.561 3.590 6.563 1.00 0.00 H new ATOM 1159 N SER A 134 -3.532 3.404 4.714 1.00 0.00 N ATOM 1160 CA SER A 134 -2.058 3.530 4.511 1.00 0.00 C ATOM 1161 C SER A 134 -1.730 3.443 3.021 1.00 0.00 C ATOM 1162 O SER A 134 -0.932 4.199 2.501 1.00 0.00 O ATOM 1163 CB SER A 134 -1.351 2.397 5.250 1.00 0.00 C ATOM 1164 OG SER A 134 -0.015 2.285 4.778 1.00 0.00 O ATOM 0 H SER A 134 -3.825 2.581 5.240 1.00 0.00 H new ATOM 0 HA SER A 134 -1.721 4.492 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.354 2.590 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.883 1.459 5.094 1.00 0.00 H new ATOM 0 HG SER A 134 0.371 3.180 4.673 1.00 0.00 H new ATOM 1170 N THR A 135 -2.341 2.515 2.338 1.00 0.00 N ATOM 1171 CA THR A 135 -2.078 2.347 0.879 1.00 0.00 C ATOM 1172 C THR A 135 -2.492 3.614 0.127 1.00 0.00 C ATOM 1173 O THR A 135 -1.791 4.092 -0.744 1.00 0.00 O ATOM 1174 CB THR A 135 -2.891 1.158 0.356 1.00 0.00 C ATOM 1175 OG1 THR A 135 -2.701 0.042 1.213 1.00 0.00 O ATOM 1176 CG2 THR A 135 -2.428 0.803 -1.058 1.00 0.00 C ATOM 0 H THR A 135 -3.017 1.860 2.731 1.00 0.00 H new ATOM 0 HA THR A 135 -1.014 2.168 0.721 1.00 0.00 H new ATOM 0 HB THR A 135 -3.948 1.423 0.334 1.00 0.00 H new ATOM 0 HG1 THR A 135 -3.469 -0.042 1.815 1.00 0.00 H new ATOM 0 HG21 THR A 135 -3.007 -0.043 -1.429 1.00 0.00 H new ATOM 0 HG22 THR A 135 -2.576 1.660 -1.715 1.00 0.00 H new ATOM 0 HG23 THR A 135 -1.371 0.538 -1.039 1.00 0.00 H new ATOM 1184 N ASN A 136 -3.636 4.153 0.457 1.00 0.00 N ATOM 1185 CA ASN A 136 -4.120 5.385 -0.231 1.00 0.00 C ATOM 1186 C ASN A 136 -3.158 6.542 0.047 1.00 0.00 C ATOM 1187 O ASN A 136 -2.859 7.341 -0.819 1.00 0.00 O ATOM 1188 CB ASN A 136 -5.509 5.749 0.300 1.00 0.00 C ATOM 1189 CG ASN A 136 -6.003 7.031 -0.377 1.00 0.00 C ATOM 1190 OD1 ASN A 136 -5.241 7.725 -1.020 1.00 0.00 O ATOM 1191 ND2 ASN A 136 -7.257 7.377 -0.257 1.00 0.00 N ATOM 0 H ASN A 136 -4.259 3.790 1.178 1.00 0.00 H new ATOM 0 HA ASN A 136 -4.170 5.203 -1.305 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -6.207 4.934 0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -5.470 5.889 1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -7.596 8.229 -0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -7.897 6.795 0.283 1.00 0.00 H new ATOM 1198 N MET A 137 -2.677 6.637 1.256 1.00 0.00 N ATOM 1199 CA MET A 137 -1.737 7.738 1.608 1.00 0.00 C ATOM 1200 C MET A 137 -0.440 7.578 0.812 1.00 0.00 C ATOM 1201 O MET A 137 0.126 8.538 0.326 1.00 0.00 O ATOM 1202 CB MET A 137 -1.424 7.678 3.105 1.00 0.00 C ATOM 1203 CG MET A 137 -2.623 8.199 3.899 1.00 0.00 C ATOM 1204 SD MET A 137 -2.272 8.079 5.673 1.00 0.00 S ATOM 1205 CE MET A 137 -0.977 9.343 5.744 1.00 0.00 C ATOM 0 H MET A 137 -2.896 5.996 2.019 1.00 0.00 H new ATOM 0 HA MET A 137 -2.195 8.697 1.367 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.197 6.653 3.399 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.540 8.276 3.327 1.00 0.00 H new ATOM 0 HG2 MET A 137 -2.830 9.234 3.628 1.00 0.00 H new ATOM 0 HG3 MET A 137 -3.514 7.621 3.654 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.136 9.978 6.616 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.002 8.861 5.819 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.013 9.952 4.840 1.00 0.00 H new ATOM 1215 N ILE A 138 0.034 6.368 0.678 1.00 0.00 N ATOM 1216 CA ILE A 138 1.295 6.136 -0.085 1.00 0.00 C ATOM 1217 C ILE A 138 1.085 6.531 -1.552 1.00 0.00 C ATOM 1218 O ILE A 138 1.905 7.198 -2.152 1.00 0.00 O ATOM 1219 CB ILE A 138 1.667 4.649 -0.008 1.00 0.00 C ATOM 1220 CG1 ILE A 138 2.073 4.292 1.425 1.00 0.00 C ATOM 1221 CG2 ILE A 138 2.835 4.360 -0.955 1.00 0.00 C ATOM 1222 CD1 ILE A 138 2.169 2.770 1.573 1.00 0.00 C ATOM 0 H ILE A 138 -0.398 5.529 1.065 1.00 0.00 H new ATOM 0 HA ILE A 138 2.096 6.738 0.343 1.00 0.00 H new ATOM 0 HB ILE A 138 0.805 4.049 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.032 4.751 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 138 1.343 4.690 2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 138 3.097 3.303 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.545 4.607 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 138 3.696 4.963 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.458 2.521 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.201 2.321 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 138 2.916 2.383 0.880 1.00 0.00 H new ATOM 1234 N PHE A 139 -0.013 6.120 -2.124 1.00 0.00 N ATOM 1235 CA PHE A 139 -0.300 6.461 -3.550 1.00 0.00 C ATOM 1236 C PHE A 139 -0.540 7.966 -3.673 1.00 0.00 C ATOM 1237 O PHE A 139 -0.061 8.617 -4.581 1.00 0.00 O ATOM 1238 CB PHE A 139 -1.554 5.701 -4.010 1.00 0.00 C ATOM 1239 CG PHE A 139 -1.183 4.294 -4.428 1.00 0.00 C ATOM 1240 CD1 PHE A 139 -0.514 3.449 -3.533 1.00 0.00 C ATOM 1241 CD2 PHE A 139 -1.499 3.838 -5.715 1.00 0.00 C ATOM 1242 CE1 PHE A 139 -0.165 2.153 -3.924 1.00 0.00 C ATOM 1243 CE2 PHE A 139 -1.147 2.543 -6.105 1.00 0.00 C ATOM 1244 CZ PHE A 139 -0.480 1.700 -5.209 1.00 0.00 C ATOM 0 H PHE A 139 -0.730 5.559 -1.663 1.00 0.00 H new ATOM 0 HA PHE A 139 0.548 6.177 -4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -2.286 5.668 -3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -2.022 6.225 -4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -0.268 3.799 -2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -2.015 4.488 -6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 139 0.348 1.501 -3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -1.390 2.193 -7.097 1.00 0.00 H new ATOM 0 HZ PHE A 139 -0.208 0.699 -5.510 1.00 0.00 H new ATOM 1254 N LYS A 140 -1.288 8.513 -2.756 1.00 0.00 N ATOM 1255 CA LYS A 140 -1.580 9.973 -2.788 1.00 0.00 C ATOM 1256 C LYS A 140 -0.288 10.756 -2.557 1.00 0.00 C ATOM 1257 O LYS A 140 -0.074 11.811 -3.123 1.00 0.00 O ATOM 1258 CB LYS A 140 -2.588 10.312 -1.687 1.00 0.00 C ATOM 1259 CG LYS A 140 -2.984 11.786 -1.792 1.00 0.00 C ATOM 1260 CD LYS A 140 -4.031 12.118 -0.725 1.00 0.00 C ATOM 1261 CE LYS A 140 -4.432 13.591 -0.843 1.00 0.00 C ATOM 1262 NZ LYS A 140 -5.364 13.763 -1.993 1.00 0.00 N ATOM 0 H LYS A 140 -1.713 8.007 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 140 -1.997 10.241 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -3.471 9.680 -1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.154 10.110 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -2.106 12.418 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.383 11.995 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.907 11.481 -0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -3.629 11.918 0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -4.910 13.924 0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -3.546 14.210 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -5.729 14.737 -2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -4.857 13.575 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -6.157 13.097 -1.899 1.00 0.00 H new ATOM 1276 N TYR A 141 0.569 10.244 -1.718 1.00 0.00 N ATOM 1277 CA TYR A 141 1.853 10.945 -1.427 1.00 0.00 C ATOM 1278 C TYR A 141 2.673 11.086 -2.712 1.00 0.00 C ATOM 1279 O TYR A 141 3.208 12.138 -3.007 1.00 0.00 O ATOM 1280 CB TYR A 141 2.655 10.134 -0.405 1.00 0.00 C ATOM 1281 CG TYR A 141 3.997 10.790 -0.185 1.00 0.00 C ATOM 1282 CD1 TYR A 141 4.097 11.916 0.641 1.00 0.00 C ATOM 1283 CD2 TYR A 141 5.141 10.276 -0.809 1.00 0.00 C ATOM 1284 CE1 TYR A 141 5.340 12.527 0.843 1.00 0.00 C ATOM 1285 CE2 TYR A 141 6.383 10.888 -0.607 1.00 0.00 C ATOM 1286 CZ TYR A 141 6.482 12.014 0.219 1.00 0.00 C ATOM 1287 OH TYR A 141 7.708 12.618 0.417 1.00 0.00 O ATOM 0 H TYR A 141 0.435 9.365 -1.218 1.00 0.00 H new ATOM 0 HA TYR A 141 1.636 11.935 -1.026 1.00 0.00 H new ATOM 0 HB2 TYR A 141 2.109 10.073 0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 141 2.791 9.113 -0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 141 3.215 12.313 1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 141 5.064 9.407 -1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 141 5.417 13.395 1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 141 7.265 10.492 -1.088 1.00 0.00 H new ATOM 0 HH TYR A 141 8.396 12.136 -0.088 1.00 0.00 H new ATOM 1297 N ALA A 142 2.780 10.030 -3.475 1.00 0.00 N ATOM 1298 CA ALA A 142 3.569 10.094 -4.740 1.00 0.00 C ATOM 1299 C ALA A 142 2.930 11.108 -5.690 1.00 0.00 C ATOM 1300 O ALA A 142 3.604 11.856 -6.374 1.00 0.00 O ATOM 1301 CB ALA A 142 3.573 8.715 -5.404 1.00 0.00 C ATOM 0 H ALA A 142 2.354 9.125 -3.276 1.00 0.00 H new ATOM 0 HA ALA A 142 4.591 10.398 -4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 142 4.149 8.758 -6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 142 4.024 7.988 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.549 8.416 -5.628 1.00 0.00 H new ATOM 1307 N TYR A 143 1.628 11.132 -5.729 1.00 0.00 N ATOM 1308 CA TYR A 143 0.910 12.090 -6.617 1.00 0.00 C ATOM 1309 C TYR A 143 1.215 13.524 -6.177 1.00 0.00 C ATOM 1310 O TYR A 143 1.420 14.407 -6.986 1.00 0.00 O ATOM 1311 CB TYR A 143 -0.595 11.838 -6.517 1.00 0.00 C ATOM 1312 CG TYR A 143 -1.334 12.865 -7.340 1.00 0.00 C ATOM 1313 CD1 TYR A 143 -1.392 12.735 -8.732 1.00 0.00 C ATOM 1314 CD2 TYR A 143 -1.960 13.949 -6.712 1.00 0.00 C ATOM 1315 CE1 TYR A 143 -2.073 13.689 -9.497 1.00 0.00 C ATOM 1316 CE2 TYR A 143 -2.643 14.902 -7.477 1.00 0.00 C ATOM 1317 CZ TYR A 143 -2.699 14.772 -8.869 1.00 0.00 C ATOM 1318 OH TYR A 143 -3.372 15.711 -9.623 1.00 0.00 O ATOM 0 H TYR A 143 1.023 10.523 -5.178 1.00 0.00 H new ATOM 0 HA TYR A 143 1.239 11.950 -7.647 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.831 10.835 -6.872 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -0.915 11.892 -5.476 1.00 0.00 H new ATOM 0 HD1 TYR A 143 -0.911 11.898 -9.216 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -1.916 14.050 -5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 143 -2.115 13.589 -10.572 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -3.127 15.737 -6.993 1.00 0.00 H new ATOM 0 HH TYR A 143 -3.750 16.396 -9.032 1.00 0.00 H new ATOM 1328 N ASP A 144 1.237 13.753 -4.892 1.00 0.00 N ATOM 1329 CA ASP A 144 1.517 15.123 -4.370 1.00 0.00 C ATOM 1330 C ASP A 144 2.913 15.562 -4.812 1.00 0.00 C ATOM 1331 O ASP A 144 3.135 16.701 -5.178 1.00 0.00 O ATOM 1332 CB ASP A 144 1.462 15.101 -2.839 1.00 0.00 C ATOM 1333 CG ASP A 144 0.013 14.953 -2.376 1.00 0.00 C ATOM 1334 OD1 ASP A 144 -0.872 15.126 -3.198 1.00 0.00 O ATOM 1335 OD2 ASP A 144 -0.190 14.668 -1.207 1.00 0.00 O ATOM 0 H ASP A 144 1.072 13.046 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 144 0.773 15.819 -4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 144 2.062 14.276 -2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 144 1.890 16.019 -2.437 1.00 0.00 H new ATOM 1340 N THR A 145 3.856 14.662 -4.776 1.00 0.00 N ATOM 1341 CA THR A 145 5.245 15.012 -5.186 1.00 0.00 C ATOM 1342 C THR A 145 5.288 15.222 -6.701 1.00 0.00 C ATOM 1343 O THR A 145 6.332 15.459 -7.279 1.00 0.00 O ATOM 1344 CB THR A 145 6.196 13.875 -4.788 1.00 0.00 C ATOM 1345 OG1 THR A 145 6.022 13.577 -3.410 1.00 0.00 O ATOM 1346 CG2 THR A 145 7.651 14.293 -5.041 1.00 0.00 C ATOM 0 H THR A 145 3.724 13.695 -4.479 1.00 0.00 H new ATOM 0 HA THR A 145 5.556 15.930 -4.687 1.00 0.00 H new ATOM 0 HB THR A 145 5.970 12.993 -5.387 1.00 0.00 H new ATOM 0 HG1 THR A 145 5.179 13.093 -3.284 1.00 0.00 H new ATOM 0 HG21 THR A 145 8.318 13.480 -4.755 1.00 0.00 H new ATOM 0 HG22 THR A 145 7.786 14.519 -6.099 1.00 0.00 H new ATOM 0 HG23 THR A 145 7.884 15.178 -4.449 1.00 0.00 H new ATOM 1354 N ARG A 146 4.149 15.136 -7.337 1.00 0.00 N ATOM 1355 CA ARG A 146 4.072 15.329 -8.815 1.00 0.00 C ATOM 1356 C ARG A 146 4.962 14.305 -9.518 1.00 0.00 C ATOM 1357 O ARG A 146 5.709 14.622 -10.425 1.00 0.00 O ATOM 1358 CB ARG A 146 4.504 16.757 -9.176 1.00 0.00 C ATOM 1359 CG ARG A 146 3.531 17.751 -8.535 1.00 0.00 C ATOM 1360 CD ARG A 146 4.011 19.186 -8.788 1.00 0.00 C ATOM 1361 NE ARG A 146 3.966 19.475 -10.251 1.00 0.00 N ATOM 1362 CZ ARG A 146 4.441 20.601 -10.727 1.00 0.00 C ATOM 1363 NH1 ARG A 146 4.983 21.485 -9.932 1.00 0.00 N ATOM 1364 NH2 ARG A 146 4.375 20.838 -12.008 1.00 0.00 N ATOM 0 H ARG A 146 3.255 14.937 -6.887 1.00 0.00 H new ATOM 0 HA ARG A 146 3.044 15.182 -9.146 1.00 0.00 H new ATOM 0 HB2 ARG A 146 5.519 16.943 -8.824 1.00 0.00 H new ATOM 0 HB3 ARG A 146 4.514 16.885 -10.258 1.00 0.00 H new ATOM 0 HG2 ARG A 146 2.532 17.614 -8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 146 3.461 17.565 -7.463 1.00 0.00 H new ATOM 0 HD2 ARG A 146 3.381 19.892 -8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 146 5.026 19.313 -8.413 1.00 0.00 H new ATOM 0 HE ARG A 146 3.561 18.789 -10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 146 5.040 21.303 -8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 146 5.349 22.357 -10.313 1.00 0.00 H new ATOM 0 HH21 ARG A 146 3.956 20.150 -12.633 1.00 0.00 H new ATOM 0 HH22 ARG A 146 4.743 21.712 -12.385 1.00 0.00 H new ATOM 1378 N LEU A 147 4.868 13.070 -9.105 1.00 0.00 N ATOM 1379 CA LEU A 147 5.676 11.988 -9.738 1.00 0.00 C ATOM 1380 C LEU A 147 4.831 11.278 -10.790 1.00 0.00 C ATOM 1381 O LEU A 147 5.336 10.795 -11.784 1.00 0.00 O ATOM 1382 CB LEU A 147 6.100 10.985 -8.661 1.00 0.00 C ATOM 1383 CG LEU A 147 7.154 11.628 -7.749 1.00 0.00 C ATOM 1384 CD1 LEU A 147 7.308 10.796 -6.472 1.00 0.00 C ATOM 1385 CD2 LEU A 147 8.511 11.702 -8.474 1.00 0.00 C ATOM 0 H LEU A 147 4.259 12.761 -8.347 1.00 0.00 H new ATOM 0 HA LEU A 147 6.561 12.415 -10.211 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.234 10.678 -8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 147 6.505 10.086 -9.126 1.00 0.00 H new ATOM 0 HG LEU A 147 6.829 12.637 -7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.057 11.255 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 147 6.353 10.754 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 147 7.623 9.786 -6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 147 9.250 12.160 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 147 8.836 10.696 -8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 147 8.408 12.302 -9.378 1.00 0.00 H new ATOM 1397 N ILE A 148 3.540 11.211 -10.574 1.00 0.00 N ATOM 1398 CA ILE A 148 2.637 10.529 -11.554 1.00 0.00 C ATOM 1399 C ILE A 148 1.424 11.403 -11.854 1.00 0.00 C ATOM 1400 O ILE A 148 0.975 12.176 -11.028 1.00 0.00 O ATOM 1401 CB ILE A 148 2.179 9.187 -10.976 1.00 0.00 C ATOM 1402 CG1 ILE A 148 1.459 9.407 -9.637 1.00 0.00 C ATOM 1403 CG2 ILE A 148 3.397 8.288 -10.760 1.00 0.00 C ATOM 1404 CD1 ILE A 148 0.900 8.074 -9.129 1.00 0.00 C ATOM 0 H ILE A 148 3.070 11.601 -9.757 1.00 0.00 H new ATOM 0 HA ILE A 148 3.183 10.360 -12.482 1.00 0.00 H new ATOM 0 HB ILE A 148 1.490 8.712 -11.675 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.150 9.826 -8.905 1.00 0.00 H new ATOM 0 HG13 ILE A 148 0.651 10.128 -9.761 1.00 0.00 H new ATOM 0 HG21 ILE A 148 3.075 7.331 -10.348 1.00 0.00 H new ATOM 0 HG22 ILE A 148 3.900 8.122 -11.713 1.00 0.00 H new ATOM 0 HG23 ILE A 148 4.085 8.769 -10.065 1.00 0.00 H new ATOM 0 HD11 ILE A 148 0.390 8.232 -8.179 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.195 7.674 -9.858 1.00 0.00 H new ATOM 0 HD13 ILE A 148 1.717 7.367 -8.989 1.00 0.00 H new ATOM 1416 N LYS A 149 0.891 11.274 -13.041 1.00 0.00 N ATOM 1417 CA LYS A 149 -0.303 12.075 -13.442 1.00 0.00 C ATOM 1418 C LYS A 149 -1.517 11.147 -13.538 1.00 0.00 C ATOM 1419 O LYS A 149 -2.048 10.898 -14.606 1.00 0.00 O ATOM 1420 CB LYS A 149 -0.029 12.734 -14.798 1.00 0.00 C ATOM 1421 CG LYS A 149 -1.158 13.711 -15.129 1.00 0.00 C ATOM 1422 CD LYS A 149 -0.842 14.438 -16.439 1.00 0.00 C ATOM 1423 CE LYS A 149 -1.968 15.425 -16.759 1.00 0.00 C ATOM 1424 NZ LYS A 149 -1.652 16.144 -18.026 1.00 0.00 N ATOM 0 H LYS A 149 1.238 10.638 -13.759 1.00 0.00 H new ATOM 0 HA LYS A 149 -0.505 12.850 -12.703 1.00 0.00 H new ATOM 0 HB2 LYS A 149 0.925 13.260 -14.772 1.00 0.00 H new ATOM 0 HB3 LYS A 149 0.047 11.973 -15.575 1.00 0.00 H new ATOM 0 HG2 LYS A 149 -2.102 13.174 -15.218 1.00 0.00 H new ATOM 0 HG3 LYS A 149 -1.277 14.432 -14.321 1.00 0.00 H new ATOM 0 HD2 LYS A 149 0.107 14.967 -16.354 1.00 0.00 H new ATOM 0 HD3 LYS A 149 -0.734 13.718 -17.250 1.00 0.00 H new ATOM 0 HE2 LYS A 149 -2.915 14.894 -16.856 1.00 0.00 H new ATOM 0 HE3 LYS A 149 -2.084 16.138 -15.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 -2.416 16.815 -18.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 -0.757 16.662 -17.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 -1.562 15.457 -18.802 1.00 0.00 H new ATOM 1438 N ALA A 150 -1.958 10.636 -12.419 1.00 0.00 N ATOM 1439 CA ALA A 150 -3.140 9.726 -12.412 1.00 0.00 C ATOM 1440 C ALA A 150 -3.690 9.610 -10.988 1.00 0.00 C ATOM 1441 O ALA A 150 -2.982 9.800 -10.017 1.00 0.00 O ATOM 1442 CB ALA A 150 -2.742 8.336 -12.910 1.00 0.00 C ATOM 0 H ALA A 150 -1.546 10.812 -11.502 1.00 0.00 H new ATOM 0 HA ALA A 150 -3.903 10.138 -13.072 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -3.614 7.682 -12.900 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -2.356 8.410 -13.927 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -1.971 7.923 -12.259 1.00 0.00 H new ATOM 1448 N MET A 151 -4.952 9.295 -10.867 1.00 0.00 N ATOM 1449 CA MET A 151 -5.586 9.154 -9.520 1.00 0.00 C ATOM 1450 C MET A 151 -6.441 7.881 -9.495 1.00 0.00 C ATOM 1451 O MET A 151 -7.654 7.938 -9.557 1.00 0.00 O ATOM 1452 CB MET A 151 -6.472 10.375 -9.247 1.00 0.00 C ATOM 1453 CG MET A 151 -5.661 11.657 -9.456 1.00 0.00 C ATOM 1454 SD MET A 151 -4.276 11.689 -8.293 1.00 0.00 S ATOM 1455 CE MET A 151 -5.116 12.574 -6.956 1.00 0.00 C ATOM 0 H MET A 151 -5.580 9.127 -11.653 1.00 0.00 H new ATOM 0 HA MET A 151 -4.814 9.088 -8.753 1.00 0.00 H new ATOM 0 HB2 MET A 151 -7.335 10.366 -9.913 1.00 0.00 H new ATOM 0 HB3 MET A 151 -6.855 10.338 -8.227 1.00 0.00 H new ATOM 0 HG2 MET A 151 -5.291 11.703 -10.480 1.00 0.00 H new ATOM 0 HG3 MET A 151 -6.296 12.530 -9.307 1.00 0.00 H new ATOM 0 HE1 MET A 151 -4.474 12.597 -6.075 1.00 0.00 H new ATOM 0 HE2 MET A 151 -5.332 13.594 -7.274 1.00 0.00 H new ATOM 0 HE3 MET A 151 -6.049 12.065 -6.713 1.00 0.00 H new ATOM 1465 N PRO A 152 -5.807 6.738 -9.406 1.00 0.00 N ATOM 1466 CA PRO A 152 -6.514 5.421 -9.364 1.00 0.00 C ATOM 1467 C PRO A 152 -7.582 5.383 -8.264 1.00 0.00 C ATOM 1468 O PRO A 152 -8.661 4.851 -8.441 1.00 0.00 O ATOM 1469 CB PRO A 152 -5.392 4.411 -9.054 1.00 0.00 C ATOM 1470 CG PRO A 152 -4.127 5.073 -9.506 1.00 0.00 C ATOM 1471 CD PRO A 152 -4.345 6.579 -9.336 1.00 0.00 C ATOM 0 HA PRO A 152 -7.041 5.211 -10.295 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -5.355 4.178 -7.990 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -5.553 3.470 -9.580 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -3.278 4.734 -8.913 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -3.909 4.827 -10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -3.950 6.934 -8.384 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -3.844 7.146 -10.121 1.00 0.00 H new