USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 991 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 66 TYR OH : rot -70:sc= 1.04 USER MOD Set 1.2: A 70 MET CE :methyl -176:sc= -1.03 (180deg=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 43:sc= 0.794 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0806 X(o=-0.081,f=-0.13) USER MOD Single : A 14 GLN : amide:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc=-0.00117 X(o=-0.0012,f=0) USER MOD Single : A 19 SER OG : rot 80:sc= 0.183 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= -2.08! (180deg=-2.08!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 160:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.479 K(o=-0.48,f=-3.6!) USER MOD Single : A 34 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.637) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= -0.0243 (180deg=-0.292) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -32:sc= 0.0798 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.823 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.63 K(o=-1.6,f=-0.34) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 0.926 (180deg=0.367) USER MOD Single : A 68 SER OG : rot 89:sc= 0.724 USER MOD Single : A 72 ASN : amide:sc= 0.582 K(o=0.58,f=-0.76) USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= -0.0785 (180deg=-0.458) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -2.73! C(o=-2.7!,f=-16!) USER MOD Single : A 79 ASN : amide:sc= -3.22! C(o=-3.2!,f=-4.8!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -132:sc= -0.344 (180deg=-1.17) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -160:sc= -0.563 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 58:sc= 0.647 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -2:sc= 1.01 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.610 17.397 -11.557 1.00 0.00 N ATOM 2 CA GLY A 1 -17.648 17.482 -10.473 1.00 0.00 C ATOM 3 C GLY A 1 -17.906 18.664 -9.560 1.00 0.00 C ATOM 4 O GLY A 1 -17.892 19.813 -10.001 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.390 16.573 -12.152 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.568 17.295 -11.164 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.562 18.262 -12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.681 16.562 -9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.643 17.560 -10.888 1.00 0.00 H new ATOM 8 N SER A 2 -18.145 18.382 -8.283 1.00 0.00 N ATOM 9 CA SER A 2 -18.414 19.430 -7.306 1.00 0.00 C ATOM 10 C SER A 2 -17.113 20.033 -6.784 1.00 0.00 C ATOM 11 O SER A 2 -16.091 19.352 -6.699 1.00 0.00 O ATOM 12 CB SER A 2 -19.234 18.873 -6.141 1.00 0.00 C ATOM 13 OG SER A 2 -19.495 19.877 -5.175 1.00 0.00 O ATOM 0 H SER A 2 -18.158 17.436 -7.901 1.00 0.00 H new ATOM 0 HA SER A 2 -18.986 20.215 -7.801 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.175 18.470 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.696 18.047 -5.676 1.00 0.00 H new ATOM 0 HG SER A 2 -20.022 19.496 -4.442 1.00 0.00 H new ATOM 19 N SER A 3 -17.159 21.315 -6.436 1.00 0.00 N ATOM 20 CA SER A 3 -15.984 22.011 -5.925 1.00 0.00 C ATOM 21 C SER A 3 -16.342 22.861 -4.710 1.00 0.00 C ATOM 22 O SER A 3 -17.392 23.501 -4.672 1.00 0.00 O ATOM 23 CB SER A 3 -15.375 22.894 -7.017 1.00 0.00 C ATOM 24 OG SER A 3 -16.251 23.950 -7.367 1.00 0.00 O ATOM 0 H SER A 3 -17.997 21.893 -6.499 1.00 0.00 H new ATOM 0 HA SER A 3 -15.252 21.263 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.426 23.304 -6.670 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.158 22.290 -7.898 1.00 0.00 H new ATOM 0 HG SER A 3 -15.838 24.500 -8.065 1.00 0.00 H new ATOM 30 N GLY A 4 -15.459 22.861 -3.715 1.00 0.00 N ATOM 31 CA GLY A 4 -15.698 23.634 -2.511 1.00 0.00 C ATOM 32 C GLY A 4 -15.934 22.758 -1.297 1.00 0.00 C ATOM 33 O GLY A 4 -17.066 22.364 -1.017 1.00 0.00 O ATOM 0 H GLY A 4 -14.583 22.339 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.843 24.285 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.563 24.280 -2.663 1.00 0.00 H new ATOM 37 N SER A 5 -14.862 22.451 -0.573 1.00 0.00 N ATOM 38 CA SER A 5 -14.957 21.611 0.615 1.00 0.00 C ATOM 39 C SER A 5 -13.970 22.069 1.684 1.00 0.00 C ATOM 40 O SER A 5 -13.086 22.884 1.420 1.00 0.00 O ATOM 41 CB SER A 5 -14.692 20.148 0.254 1.00 0.00 C ATOM 42 OG SER A 5 -15.661 19.665 -0.660 1.00 0.00 O ATOM 0 H SER A 5 -13.918 22.771 -0.789 1.00 0.00 H new ATOM 0 HA SER A 5 -15.967 21.702 1.014 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.697 20.052 -0.181 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.705 19.539 1.158 1.00 0.00 H new ATOM 0 HG SER A 5 -15.469 18.729 -0.876 1.00 0.00 H new ATOM 48 N SER A 6 -14.128 21.539 2.893 1.00 0.00 N ATOM 49 CA SER A 6 -13.254 21.896 4.005 1.00 0.00 C ATOM 50 C SER A 6 -12.196 20.820 4.231 1.00 0.00 C ATOM 51 O SER A 6 -12.427 19.847 4.946 1.00 0.00 O ATOM 52 CB SER A 6 -14.074 22.098 5.281 1.00 0.00 C ATOM 53 OG SER A 6 -14.795 20.924 5.614 1.00 0.00 O ATOM 0 H SER A 6 -14.853 20.861 3.127 1.00 0.00 H new ATOM 0 HA SER A 6 -12.750 22.829 3.754 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.412 22.368 6.104 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.767 22.928 5.144 1.00 0.00 H new ATOM 0 HG SER A 6 -14.218 20.141 5.494 1.00 0.00 H new ATOM 59 N GLY A 7 -11.033 21.004 3.613 1.00 0.00 N ATOM 60 CA GLY A 7 -9.956 20.043 3.759 1.00 0.00 C ATOM 61 C GLY A 7 -10.457 18.613 3.798 1.00 0.00 C ATOM 62 O GLY A 7 -10.466 17.979 4.853 1.00 0.00 O ATOM 0 H GLY A 7 -10.818 21.801 3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.256 20.157 2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.404 20.257 4.674 1.00 0.00 H new ATOM 66 N SER A 8 -10.877 18.102 2.645 1.00 0.00 N ATOM 67 CA SER A 8 -11.387 16.740 2.552 1.00 0.00 C ATOM 68 C SER A 8 -10.339 15.806 1.953 1.00 0.00 C ATOM 69 O SER A 8 -10.662 14.911 1.173 1.00 0.00 O ATOM 70 CB SER A 8 -12.660 16.706 1.704 1.00 0.00 C ATOM 71 OG SER A 8 -13.734 17.345 2.371 1.00 0.00 O ATOM 0 H SER A 8 -10.874 18.612 1.762 1.00 0.00 H new ATOM 0 HA SER A 8 -11.621 16.397 3.560 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.477 17.197 0.748 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.927 15.672 1.485 1.00 0.00 H new ATOM 0 HG SER A 8 -14.535 17.311 1.808 1.00 0.00 H new ATOM 77 N ALA A 9 -9.081 16.023 2.325 1.00 0.00 N ATOM 78 CA ALA A 9 -7.985 15.202 1.828 1.00 0.00 C ATOM 79 C ALA A 9 -7.759 13.988 2.722 1.00 0.00 C ATOM 80 O ALA A 9 -7.501 12.886 2.237 1.00 0.00 O ATOM 81 CB ALA A 9 -6.712 16.027 1.723 1.00 0.00 C ATOM 0 H ALA A 9 -8.797 16.761 2.969 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.255 14.844 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.902 15.400 1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.873 16.858 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.448 16.415 2.707 1.00 0.00 H new ATOM 87 N ASP A 10 -7.857 14.197 4.031 1.00 0.00 N ATOM 88 CA ASP A 10 -7.663 13.119 4.994 1.00 0.00 C ATOM 89 C ASP A 10 -8.471 11.886 4.599 1.00 0.00 C ATOM 90 O ASP A 10 -8.013 10.755 4.761 1.00 0.00 O ATOM 91 CB ASP A 10 -8.065 13.580 6.395 1.00 0.00 C ATOM 92 CG ASP A 10 -9.324 14.424 6.388 1.00 0.00 C ATOM 93 OD1 ASP A 10 -9.222 15.641 6.122 1.00 0.00 O ATOM 94 OD2 ASP A 10 -10.412 13.869 6.648 1.00 0.00 O ATOM 0 H ASP A 10 -8.070 15.103 4.449 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.606 12.853 4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.219 12.708 7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.249 14.154 6.834 1.00 0.00 H new ATOM 99 N GLN A 11 -9.674 12.114 4.083 1.00 0.00 N ATOM 100 CA GLN A 11 -10.546 11.021 3.668 1.00 0.00 C ATOM 101 C GLN A 11 -10.060 10.403 2.361 1.00 0.00 C ATOM 102 O GLN A 11 -10.246 9.210 2.120 1.00 0.00 O ATOM 103 CB GLN A 11 -11.983 11.520 3.507 1.00 0.00 C ATOM 104 CG GLN A 11 -12.810 11.414 4.778 1.00 0.00 C ATOM 105 CD GLN A 11 -13.139 9.980 5.142 1.00 0.00 C ATOM 106 OE1 GLN A 11 -13.670 9.226 4.326 1.00 0.00 O ATOM 107 NE2 GLN A 11 -12.826 9.595 6.374 1.00 0.00 N ATOM 0 H GLN A 11 -10.067 13.045 3.942 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.520 10.255 4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.963 12.560 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.471 10.949 2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.266 11.878 5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.736 11.975 4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.387 10.253 7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.025 8.641 6.676 1.00 0.00 H new ATOM 116 N ILE A 12 -9.437 11.223 1.521 1.00 0.00 N ATOM 117 CA ILE A 12 -8.924 10.756 0.239 1.00 0.00 C ATOM 118 C ILE A 12 -8.089 9.492 0.408 1.00 0.00 C ATOM 119 O ILE A 12 -8.412 8.443 -0.148 1.00 0.00 O ATOM 120 CB ILE A 12 -8.068 11.835 -0.451 1.00 0.00 C ATOM 121 CG1 ILE A 12 -8.902 13.091 -0.710 1.00 0.00 C ATOM 122 CG2 ILE A 12 -7.489 11.300 -1.752 1.00 0.00 C ATOM 123 CD1 ILE A 12 -9.864 12.950 -1.869 1.00 0.00 C ATOM 0 H ILE A 12 -9.275 12.213 1.705 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.790 10.535 -0.386 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.243 12.100 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.465 13.336 0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.232 13.928 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.887 12.074 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.864 10.432 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.301 11.010 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.421 13.878 -1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.306 12.736 -2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.558 12.134 -1.668 1.00 0.00 H new ATOM 135 N ARG A 13 -7.013 9.599 1.182 1.00 0.00 N ATOM 136 CA ARG A 13 -6.131 8.464 1.426 1.00 0.00 C ATOM 137 C ARG A 13 -6.863 7.361 2.185 1.00 0.00 C ATOM 138 O ARG A 13 -6.710 6.178 1.879 1.00 0.00 O ATOM 139 CB ARG A 13 -4.898 8.909 2.215 1.00 0.00 C ATOM 140 CG ARG A 13 -3.937 9.767 1.409 1.00 0.00 C ATOM 141 CD ARG A 13 -4.267 11.246 1.540 1.00 0.00 C ATOM 142 NE ARG A 13 -4.250 11.690 2.931 1.00 0.00 N ATOM 143 CZ ARG A 13 -4.250 12.967 3.295 1.00 0.00 C ATOM 144 NH1 ARG A 13 -4.267 13.922 2.376 1.00 0.00 N ATOM 145 NH2 ARG A 13 -4.234 13.291 4.582 1.00 0.00 N ATOM 0 H ARG A 13 -6.732 10.460 1.651 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.813 8.069 0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.221 9.468 3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.369 8.026 2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.917 9.589 1.748 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.979 9.475 0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.549 11.830 0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.250 11.437 1.111 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.237 10.980 3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.280 13.677 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.267 14.902 2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.222 12.559 5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.234 14.272 4.861 1.00 0.00 H new ATOM 159 N GLN A 14 -7.656 7.756 3.175 1.00 0.00 N ATOM 160 CA GLN A 14 -8.409 6.800 3.978 1.00 0.00 C ATOM 161 C GLN A 14 -9.169 5.822 3.089 1.00 0.00 C ATOM 162 O GLN A 14 -9.040 4.606 3.235 1.00 0.00 O ATOM 163 CB GLN A 14 -9.385 7.533 4.900 1.00 0.00 C ATOM 164 CG GLN A 14 -10.214 6.604 5.772 1.00 0.00 C ATOM 165 CD GLN A 14 -9.477 6.167 7.023 1.00 0.00 C ATOM 166 OE1 GLN A 14 -9.188 4.984 7.206 1.00 0.00 O ATOM 167 NE2 GLN A 14 -9.169 7.122 7.893 1.00 0.00 N ATOM 0 H GLN A 14 -7.794 8.731 3.440 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.700 6.236 4.585 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.825 8.214 5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.055 8.143 4.294 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.138 7.107 6.056 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.495 5.724 5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.428 8.090 7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.673 6.888 8.753 1.00 0.00 H new ATOM 176 N SER A 15 -9.961 6.360 2.167 1.00 0.00 N ATOM 177 CA SER A 15 -10.746 5.534 1.256 1.00 0.00 C ATOM 178 C SER A 15 -9.845 4.583 0.474 1.00 0.00 C ATOM 179 O SER A 15 -10.137 3.393 0.352 1.00 0.00 O ATOM 180 CB SER A 15 -11.538 6.415 0.289 1.00 0.00 C ATOM 181 OG SER A 15 -12.270 5.629 -0.634 1.00 0.00 O ATOM 0 H SER A 15 -10.076 7.364 2.031 1.00 0.00 H new ATOM 0 HA SER A 15 -11.443 4.942 1.850 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.221 7.053 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.856 7.073 -0.250 1.00 0.00 H new ATOM 0 HG SER A 15 -12.769 6.216 -1.240 1.00 0.00 H new ATOM 187 N VAL A 16 -8.748 5.116 -0.055 1.00 0.00 N ATOM 188 CA VAL A 16 -7.804 4.316 -0.825 1.00 0.00 C ATOM 189 C VAL A 16 -7.405 3.055 -0.066 1.00 0.00 C ATOM 190 O VAL A 16 -7.324 1.971 -0.643 1.00 0.00 O ATOM 191 CB VAL A 16 -6.535 5.120 -1.166 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.599 4.296 -2.037 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.901 6.428 -1.850 1.00 0.00 C ATOM 0 H VAL A 16 -8.491 6.099 0.036 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.307 4.036 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.015 5.356 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.708 4.880 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.311 3.389 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.107 4.027 -2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.992 6.983 -2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.445 6.217 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.529 7.022 -1.186 1.00 0.00 H new ATOM 203 N ARG A 17 -7.157 3.205 1.231 1.00 0.00 N ATOM 204 CA ARG A 17 -6.766 2.079 2.069 1.00 0.00 C ATOM 205 C ARG A 17 -7.817 0.973 2.019 1.00 0.00 C ATOM 206 O ARG A 17 -7.564 -0.115 1.501 1.00 0.00 O ATOM 207 CB ARG A 17 -6.562 2.538 3.514 1.00 0.00 C ATOM 208 CG ARG A 17 -5.488 3.602 3.669 1.00 0.00 C ATOM 209 CD ARG A 17 -5.028 3.723 5.113 1.00 0.00 C ATOM 210 NE ARG A 17 -4.249 4.938 5.339 1.00 0.00 N ATOM 211 CZ ARG A 17 -4.021 5.451 6.543 1.00 0.00 C ATOM 212 NH1 ARG A 17 -4.510 4.859 7.624 1.00 0.00 N ATOM 213 NH2 ARG A 17 -3.302 6.560 6.668 1.00 0.00 N ATOM 0 H ARG A 17 -7.220 4.096 1.724 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.827 1.682 1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.505 2.926 3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.298 1.676 4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.637 3.356 3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.874 4.562 3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.897 3.721 5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.427 2.853 5.376 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.859 5.419 4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.063 4.007 7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.333 5.256 8.547 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.924 7.019 5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.128 6.953 7.593 1.00 0.00 H new ATOM 227 N HIS A 18 -8.996 1.260 2.562 1.00 0.00 N ATOM 228 CA HIS A 18 -10.086 0.290 2.579 1.00 0.00 C ATOM 229 C HIS A 18 -10.242 -0.376 1.215 1.00 0.00 C ATOM 230 O HIS A 18 -10.598 -1.551 1.124 1.00 0.00 O ATOM 231 CB HIS A 18 -11.395 0.970 2.980 1.00 0.00 C ATOM 232 CG HIS A 18 -12.416 0.023 3.533 1.00 0.00 C ATOM 233 ND1 HIS A 18 -12.839 0.054 4.845 1.00 0.00 N ATOM 234 CD2 HIS A 18 -13.102 -0.983 2.942 1.00 0.00 C ATOM 235 CE1 HIS A 18 -13.738 -0.894 5.038 1.00 0.00 C ATOM 236 NE2 HIS A 18 -13.916 -1.538 3.898 1.00 0.00 N ATOM 0 H HIS A 18 -9.221 2.155 2.996 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.844 -0.478 3.313 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.183 1.738 3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.814 1.476 2.110 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.024 -1.292 1.910 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.242 -1.107 5.969 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.554 -2.320 3.752 1.00 0.00 H new ATOM 245 N SER A 19 -9.973 0.383 0.157 1.00 0.00 N ATOM 246 CA SER A 19 -10.088 -0.133 -1.202 1.00 0.00 C ATOM 247 C SER A 19 -9.023 -1.191 -1.474 1.00 0.00 C ATOM 248 O SER A 19 -9.338 -2.360 -1.706 1.00 0.00 O ATOM 249 CB SER A 19 -9.960 1.007 -2.215 1.00 0.00 C ATOM 250 OG SER A 19 -11.090 1.861 -2.167 1.00 0.00 O ATOM 0 H SER A 19 -9.674 1.357 0.215 1.00 0.00 H new ATOM 0 HA SER A 19 -11.070 -0.595 -1.307 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.057 1.582 -2.009 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.853 0.596 -3.219 1.00 0.00 H new ATOM 0 HG SER A 19 -11.000 2.481 -1.413 1.00 0.00 H new ATOM 256 N LEU A 20 -7.763 -0.774 -1.443 1.00 0.00 N ATOM 257 CA LEU A 20 -6.649 -1.686 -1.685 1.00 0.00 C ATOM 258 C LEU A 20 -6.799 -2.960 -0.861 1.00 0.00 C ATOM 259 O LEU A 20 -6.644 -4.067 -1.375 1.00 0.00 O ATOM 260 CB LEU A 20 -5.323 -1.001 -1.352 1.00 0.00 C ATOM 261 CG LEU A 20 -4.915 0.156 -2.265 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.836 1.001 -1.607 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.438 -0.370 -3.611 1.00 0.00 C ATOM 0 H LEU A 20 -7.486 0.189 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.655 -1.957 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.377 -0.628 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.533 -1.752 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.788 0.787 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.559 1.819 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.214 1.408 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.961 0.383 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.152 0.467 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.578 -1.024 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.242 -0.931 -4.088 1.00 0.00 H new ATOM 275 N LYS A 21 -7.103 -2.796 0.422 1.00 0.00 N ATOM 276 CA LYS A 21 -7.278 -3.932 1.319 1.00 0.00 C ATOM 277 C LYS A 21 -8.338 -4.889 0.784 1.00 0.00 C ATOM 278 O LYS A 21 -8.075 -6.076 0.590 1.00 0.00 O ATOM 279 CB LYS A 21 -7.670 -3.449 2.717 1.00 0.00 C ATOM 280 CG LYS A 21 -7.826 -4.572 3.728 1.00 0.00 C ATOM 281 CD LYS A 21 -7.689 -4.063 5.153 1.00 0.00 C ATOM 282 CE LYS A 21 -9.026 -3.595 5.708 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.854 -2.701 6.886 1.00 0.00 N ATOM 0 H LYS A 21 -7.233 -1.886 0.864 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.329 -4.465 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.914 -2.751 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.608 -2.897 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.800 -5.044 3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.074 -5.338 3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.288 -4.854 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.975 -3.240 5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.578 -3.068 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.624 -4.461 5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.787 -2.403 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.349 -3.212 7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.305 -1.863 6.608 1.00 0.00 H new ATOM 297 N ASP A 22 -9.536 -4.366 0.548 1.00 0.00 N ATOM 298 CA ASP A 22 -10.635 -5.173 0.033 1.00 0.00 C ATOM 299 C ASP A 22 -10.122 -6.240 -0.930 1.00 0.00 C ATOM 300 O ASP A 22 -10.295 -7.436 -0.696 1.00 0.00 O ATOM 301 CB ASP A 22 -11.663 -4.285 -0.671 1.00 0.00 C ATOM 302 CG ASP A 22 -13.026 -4.942 -0.768 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.733 -4.996 0.259 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.385 -5.401 -1.873 1.00 0.00 O ATOM 0 H ASP A 22 -9.771 -3.386 0.705 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.113 -5.670 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.755 -3.342 -0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.306 -4.045 -1.673 1.00 0.00 H new ATOM 309 N ILE A 23 -9.492 -5.798 -2.013 1.00 0.00 N ATOM 310 CA ILE A 23 -8.953 -6.714 -3.010 1.00 0.00 C ATOM 311 C ILE A 23 -8.110 -7.804 -2.357 1.00 0.00 C ATOM 312 O ILE A 23 -8.449 -8.986 -2.419 1.00 0.00 O ATOM 313 CB ILE A 23 -8.096 -5.972 -4.052 1.00 0.00 C ATOM 314 CG1 ILE A 23 -8.991 -5.213 -5.035 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.197 -6.951 -4.793 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.219 -4.421 -6.067 1.00 0.00 C ATOM 0 H ILE A 23 -9.342 -4.811 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.806 -7.170 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.465 -5.250 -3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.641 -5.924 -5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.637 -4.535 -4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.598 -6.411 -5.526 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.538 -7.450 -4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.810 -7.694 -5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.917 -3.909 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.589 -3.686 -5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.594 -5.096 -6.651 1.00 0.00 H new ATOM 328 N LEU A 24 -7.011 -7.398 -1.731 1.00 0.00 N ATOM 329 CA LEU A 24 -6.119 -8.339 -1.064 1.00 0.00 C ATOM 330 C LEU A 24 -6.903 -9.285 -0.159 1.00 0.00 C ATOM 331 O LEU A 24 -6.540 -10.450 0.000 1.00 0.00 O ATOM 332 CB LEU A 24 -5.069 -7.585 -0.245 1.00 0.00 C ATOM 333 CG LEU A 24 -4.237 -6.554 -1.008 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.416 -5.712 -0.043 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.334 -7.241 -2.021 1.00 0.00 C ATOM 0 H LEU A 24 -6.716 -6.423 -1.671 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.617 -8.931 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.574 -7.078 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.391 -8.314 0.198 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.916 -5.894 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.830 -4.984 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.083 -5.190 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.746 -6.358 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.749 -6.492 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.661 -7.925 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.943 -7.799 -2.732 1.00 0.00 H new ATOM 347 N MET A 25 -7.980 -8.776 0.429 1.00 0.00 N ATOM 348 CA MET A 25 -8.817 -9.576 1.314 1.00 0.00 C ATOM 349 C MET A 25 -9.610 -10.612 0.524 1.00 0.00 C ATOM 350 O MET A 25 -9.383 -11.815 0.655 1.00 0.00 O ATOM 351 CB MET A 25 -9.774 -8.676 2.099 1.00 0.00 C ATOM 352 CG MET A 25 -9.068 -7.719 3.046 1.00 0.00 C ATOM 353 SD MET A 25 -10.055 -7.329 4.503 1.00 0.00 S ATOM 354 CE MET A 25 -9.376 -8.483 5.692 1.00 0.00 C ATOM 0 H MET A 25 -8.294 -7.813 0.308 1.00 0.00 H new ATOM 0 HA MET A 25 -8.165 -10.099 2.013 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.377 -8.101 1.397 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.460 -9.300 2.671 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.121 -8.158 3.360 1.00 0.00 H new ATOM 0 HG3 MET A 25 -8.831 -6.797 2.515 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.886 -8.363 6.648 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.516 -9.502 5.331 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.312 -8.287 5.822 1.00 0.00 H new ATOM 364 N LYS A 26 -10.541 -10.138 -0.297 1.00 0.00 N ATOM 365 CA LYS A 26 -11.367 -11.023 -1.110 1.00 0.00 C ATOM 366 C LYS A 26 -10.502 -11.988 -1.915 1.00 0.00 C ATOM 367 O LYS A 26 -10.951 -13.070 -2.294 1.00 0.00 O ATOM 368 CB LYS A 26 -12.250 -10.205 -2.055 1.00 0.00 C ATOM 369 CG LYS A 26 -11.603 -9.920 -3.399 1.00 0.00 C ATOM 370 CD LYS A 26 -11.792 -11.078 -4.365 1.00 0.00 C ATOM 371 CE LYS A 26 -11.841 -10.598 -5.808 1.00 0.00 C ATOM 372 NZ LYS A 26 -11.981 -11.730 -6.764 1.00 0.00 N ATOM 0 H LYS A 26 -10.743 -9.145 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.001 -11.603 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.186 -10.740 -2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.503 -9.259 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.033 -9.014 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.539 -9.732 -3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.976 -11.790 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.714 -11.607 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.678 -9.911 -5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.933 -10.040 -6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.011 -11.362 -7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.170 -12.373 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.860 -12.248 -6.563 1.00 0.00 H new ATOM 386 N ARG A 27 -9.260 -11.591 -2.169 1.00 0.00 N ATOM 387 CA ARG A 27 -8.332 -12.421 -2.928 1.00 0.00 C ATOM 388 C ARG A 27 -7.651 -13.442 -2.022 1.00 0.00 C ATOM 389 O ARG A 27 -7.728 -14.649 -2.259 1.00 0.00 O ATOM 390 CB ARG A 27 -7.279 -11.550 -3.615 1.00 0.00 C ATOM 391 CG ARG A 27 -7.854 -10.616 -4.668 1.00 0.00 C ATOM 392 CD ARG A 27 -8.229 -11.368 -5.935 1.00 0.00 C ATOM 393 NE ARG A 27 -7.121 -11.429 -6.884 1.00 0.00 N ATOM 394 CZ ARG A 27 -7.266 -11.751 -8.164 1.00 0.00 C ATOM 395 NH1 ARG A 27 -8.467 -12.039 -8.647 1.00 0.00 N ATOM 396 NH2 ARG A 27 -6.209 -11.784 -8.966 1.00 0.00 N ATOM 0 H ARG A 27 -8.873 -10.699 -1.860 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.901 -12.957 -3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.761 -10.958 -2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.534 -12.195 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.735 -10.113 -4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.125 -9.841 -4.906 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.541 -12.380 -5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.083 -10.881 -6.406 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.184 -11.212 -6.545 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.282 -12.013 -8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.575 -12.286 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.283 -11.562 -8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.322 -12.032 -9.949 1.00 0.00 H new ATOM 410 N LEU A 28 -6.982 -12.951 -0.984 1.00 0.00 N ATOM 411 CA LEU A 28 -6.286 -13.821 -0.042 1.00 0.00 C ATOM 412 C LEU A 28 -7.241 -14.848 0.559 1.00 0.00 C ATOM 413 O LEU A 28 -6.880 -16.009 0.751 1.00 0.00 O ATOM 414 CB LEU A 28 -5.645 -12.990 1.071 1.00 0.00 C ATOM 415 CG LEU A 28 -6.577 -12.548 2.200 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.748 -13.664 3.219 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.045 -11.289 2.869 1.00 0.00 C ATOM 0 H LEU A 28 -6.907 -11.956 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.505 -14.353 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.830 -13.568 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.202 -12.100 0.624 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.554 -12.323 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.414 -13.331 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.175 -14.540 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.777 -13.922 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.721 -10.989 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.057 -11.487 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.976 -10.488 2.133 1.00 0.00 H new ATOM 429 N THR A 29 -8.462 -14.412 0.853 1.00 0.00 N ATOM 430 CA THR A 29 -9.469 -15.293 1.431 1.00 0.00 C ATOM 431 C THR A 29 -9.822 -16.426 0.475 1.00 0.00 C ATOM 432 O THR A 29 -10.203 -17.516 0.903 1.00 0.00 O ATOM 433 CB THR A 29 -10.752 -14.520 1.789 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.542 -15.281 2.710 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.569 -14.218 0.542 1.00 0.00 C ATOM 0 H THR A 29 -8.777 -13.454 0.700 1.00 0.00 H new ATOM 0 HA THR A 29 -9.039 -15.710 2.341 1.00 0.00 H new ATOM 0 HB THR A 29 -10.463 -13.576 2.252 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.355 -14.782 2.934 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.470 -13.672 0.821 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.976 -13.613 -0.144 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.848 -15.152 0.054 1.00 0.00 H new ATOM 443 N ASP A 30 -9.692 -16.163 -0.820 1.00 0.00 N ATOM 444 CA ASP A 30 -9.996 -17.162 -1.838 1.00 0.00 C ATOM 445 C ASP A 30 -8.790 -18.060 -2.096 1.00 0.00 C ATOM 446 O ASP A 30 -8.883 -19.284 -2.003 1.00 0.00 O ATOM 447 CB ASP A 30 -10.429 -16.483 -3.138 1.00 0.00 C ATOM 448 CG ASP A 30 -10.852 -17.479 -4.199 1.00 0.00 C ATOM 449 OD1 ASP A 30 -11.729 -18.319 -3.908 1.00 0.00 O ATOM 450 OD2 ASP A 30 -10.306 -17.419 -5.321 1.00 0.00 O ATOM 0 H ASP A 30 -9.378 -15.266 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.815 -17.780 -1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.256 -15.804 -2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.607 -15.878 -3.519 1.00 0.00 H new ATOM 455 N SER A 31 -7.658 -17.442 -2.421 1.00 0.00 N ATOM 456 CA SER A 31 -6.435 -18.186 -2.697 1.00 0.00 C ATOM 457 C SER A 31 -6.060 -19.075 -1.515 1.00 0.00 C ATOM 458 O SER A 31 -6.777 -19.134 -0.517 1.00 0.00 O ATOM 459 CB SER A 31 -5.288 -17.222 -3.009 1.00 0.00 C ATOM 460 OG SER A 31 -4.631 -16.811 -1.823 1.00 0.00 O ATOM 0 H SER A 31 -7.563 -16.429 -2.499 1.00 0.00 H new ATOM 0 HA SER A 31 -6.613 -18.822 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.574 -17.705 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.675 -16.349 -3.535 1.00 0.00 H new ATOM 0 HG SER A 31 -3.738 -16.473 -2.044 1.00 0.00 H new ATOM 466 N ASN A 32 -4.931 -19.765 -1.636 1.00 0.00 N ATOM 467 CA ASN A 32 -4.460 -20.652 -0.579 1.00 0.00 C ATOM 468 C ASN A 32 -3.398 -19.965 0.275 1.00 0.00 C ATOM 469 O ASN A 32 -2.267 -20.441 0.379 1.00 0.00 O ATOM 470 CB ASN A 32 -3.893 -21.940 -1.179 1.00 0.00 C ATOM 471 CG ASN A 32 -4.923 -22.700 -1.992 1.00 0.00 C ATOM 472 OD1 ASN A 32 -5.726 -22.105 -2.711 1.00 0.00 O ATOM 473 ND2 ASN A 32 -4.905 -24.023 -1.882 1.00 0.00 N ATOM 0 H ASN A 32 -4.325 -19.727 -2.456 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.309 -20.899 0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.040 -21.698 -1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.523 -22.579 -0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.574 -24.587 -2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.222 -24.475 -1.274 1.00 0.00 H new ATOM 480 N LEU A 33 -3.769 -18.844 0.883 1.00 0.00 N ATOM 481 CA LEU A 33 -2.849 -18.091 1.729 1.00 0.00 C ATOM 482 C LEU A 33 -3.204 -18.258 3.203 1.00 0.00 C ATOM 483 O LEU A 33 -2.357 -18.621 4.019 1.00 0.00 O ATOM 484 CB LEU A 33 -2.875 -16.609 1.351 1.00 0.00 C ATOM 485 CG LEU A 33 -1.974 -16.199 0.185 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.345 -14.810 -0.312 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.511 -16.245 0.599 1.00 0.00 C ATOM 0 H LEU A 33 -4.701 -18.436 0.806 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.844 -18.483 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.901 -16.335 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.590 -16.026 2.227 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.122 -16.907 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.694 -14.534 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.382 -14.809 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.226 -14.090 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.115 -15.950 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.346 -15.560 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.252 -17.258 0.907 1.00 0.00 H new ATOM 499 N LYS A 34 -4.462 -17.993 3.537 1.00 0.00 N ATOM 500 CA LYS A 34 -4.932 -18.116 4.912 1.00 0.00 C ATOM 501 C LYS A 34 -4.193 -17.146 5.828 1.00 0.00 C ATOM 502 O LYS A 34 -3.969 -17.435 7.003 1.00 0.00 O ATOM 503 CB LYS A 34 -4.742 -19.550 5.410 1.00 0.00 C ATOM 504 CG LYS A 34 -5.686 -19.933 6.537 1.00 0.00 C ATOM 505 CD LYS A 34 -7.119 -20.055 6.046 1.00 0.00 C ATOM 506 CE LYS A 34 -7.434 -21.471 5.591 1.00 0.00 C ATOM 507 NZ LYS A 34 -7.161 -21.661 4.139 1.00 0.00 N ATOM 0 H LYS A 34 -5.176 -17.691 2.874 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.993 -17.869 4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.887 -20.237 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.714 -19.674 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.368 -20.880 6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.634 -19.184 7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.804 -19.767 6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.282 -19.362 5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.839 -22.179 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.481 -21.694 5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.842 -22.341 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.255 -20.750 3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.195 -22.025 4.012 1.00 0.00 H new ATOM 521 N VAL A 35 -3.819 -15.993 5.283 1.00 0.00 N ATOM 522 CA VAL A 35 -3.108 -14.979 6.052 1.00 0.00 C ATOM 523 C VAL A 35 -4.074 -14.142 6.883 1.00 0.00 C ATOM 524 O VAL A 35 -5.220 -13.909 6.500 1.00 0.00 O ATOM 525 CB VAL A 35 -2.295 -14.045 5.135 1.00 0.00 C ATOM 526 CG1 VAL A 35 -1.412 -14.854 4.198 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.223 -13.131 4.350 1.00 0.00 C ATOM 0 H VAL A 35 -3.997 -15.738 4.312 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.425 -15.508 6.717 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.650 -13.424 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.845 -14.178 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.723 -15.463 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.034 -15.502 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.632 -12.478 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.894 -13.733 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.809 -12.526 5.042 1.00 0.00 H new ATOM 537 N PRO A 36 -3.602 -13.677 8.050 1.00 0.00 N ATOM 538 CA PRO A 36 -4.407 -12.857 8.959 1.00 0.00 C ATOM 539 C PRO A 36 -4.676 -11.464 8.401 1.00 0.00 C ATOM 540 O PRO A 36 -3.825 -10.881 7.730 1.00 0.00 O ATOM 541 CB PRO A 36 -3.542 -12.771 10.219 1.00 0.00 C ATOM 542 CG PRO A 36 -2.147 -12.970 9.735 1.00 0.00 C ATOM 543 CD PRO A 36 -2.245 -13.916 8.569 1.00 0.00 C ATOM 0 HA PRO A 36 -5.393 -13.288 9.131 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.656 -11.806 10.712 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.822 -13.535 10.944 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.700 -12.023 9.433 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.516 -13.384 10.522 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.484 -13.707 7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.110 -14.952 8.879 1.00 0.00 H new ATOM 551 N GLU A 37 -5.863 -10.937 8.683 1.00 0.00 N ATOM 552 CA GLU A 37 -6.242 -9.612 8.207 1.00 0.00 C ATOM 553 C GLU A 37 -5.091 -8.624 8.373 1.00 0.00 C ATOM 554 O GLU A 37 -4.771 -7.869 7.455 1.00 0.00 O ATOM 555 CB GLU A 37 -7.474 -9.108 8.962 1.00 0.00 C ATOM 556 CG GLU A 37 -7.819 -7.658 8.664 1.00 0.00 C ATOM 557 CD GLU A 37 -8.570 -6.992 9.800 1.00 0.00 C ATOM 558 OE1 GLU A 37 -9.752 -7.335 10.013 1.00 0.00 O ATOM 559 OE2 GLU A 37 -7.976 -6.127 10.477 1.00 0.00 O ATOM 0 H GLU A 37 -6.578 -11.407 9.238 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.481 -9.690 7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.328 -9.736 8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.304 -9.220 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.902 -7.104 8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.422 -7.611 7.758 1.00 0.00 H new ATOM 566 N GLU A 38 -4.473 -8.637 9.550 1.00 0.00 N ATOM 567 CA GLU A 38 -3.359 -7.741 9.837 1.00 0.00 C ATOM 568 C GLU A 38 -2.395 -7.677 8.655 1.00 0.00 C ATOM 569 O GLU A 38 -1.870 -6.613 8.324 1.00 0.00 O ATOM 570 CB GLU A 38 -2.614 -8.202 11.091 1.00 0.00 C ATOM 571 CG GLU A 38 -1.781 -7.111 11.741 1.00 0.00 C ATOM 572 CD GLU A 38 -1.144 -7.559 13.042 1.00 0.00 C ATOM 573 OE1 GLU A 38 -0.754 -8.741 13.135 1.00 0.00 O ATOM 574 OE2 GLU A 38 -1.035 -6.726 13.966 1.00 0.00 O ATOM 0 H GLU A 38 -4.725 -9.258 10.319 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.764 -6.744 10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.337 -8.575 11.816 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.964 -9.037 10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.001 -6.794 11.049 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.411 -6.242 11.930 1.00 0.00 H new ATOM 581 N LYS A 39 -2.166 -8.823 8.023 1.00 0.00 N ATOM 582 CA LYS A 39 -1.267 -8.899 6.878 1.00 0.00 C ATOM 583 C LYS A 39 -1.729 -7.969 5.760 1.00 0.00 C ATOM 584 O LYS A 39 -1.082 -6.964 5.469 1.00 0.00 O ATOM 585 CB LYS A 39 -1.188 -10.337 6.360 1.00 0.00 C ATOM 586 CG LYS A 39 -0.499 -10.461 5.012 1.00 0.00 C ATOM 587 CD LYS A 39 1.011 -10.355 5.146 1.00 0.00 C ATOM 588 CE LYS A 39 1.482 -8.914 5.023 1.00 0.00 C ATOM 589 NZ LYS A 39 2.810 -8.708 5.665 1.00 0.00 N ATOM 0 H LYS A 39 -2.591 -9.713 8.285 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.276 -8.582 7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.655 -10.948 7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.197 -10.742 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.759 -11.416 4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.862 -9.680 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.321 -10.759 6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.489 -10.962 4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.541 -8.640 3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.749 -8.252 5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.096 -7.714 5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.748 -8.945 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.515 -9.321 5.209 1.00 0.00 H new ATOM 603 N ALA A 40 -2.853 -8.311 5.139 1.00 0.00 N ATOM 604 CA ALA A 40 -3.403 -7.505 4.056 1.00 0.00 C ATOM 605 C ALA A 40 -3.567 -6.051 4.483 1.00 0.00 C ATOM 606 O ALA A 40 -3.081 -5.139 3.815 1.00 0.00 O ATOM 607 CB ALA A 40 -4.736 -8.077 3.597 1.00 0.00 C ATOM 0 H ALA A 40 -3.401 -9.141 5.367 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.702 -7.534 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.135 -7.465 2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.591 -9.098 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.438 -8.079 4.431 1.00 0.00 H new ATOM 613 N ALA A 41 -4.256 -5.841 5.600 1.00 0.00 N ATOM 614 CA ALA A 41 -4.483 -4.497 6.117 1.00 0.00 C ATOM 615 C ALA A 41 -3.175 -3.722 6.226 1.00 0.00 C ATOM 616 O ALA A 41 -3.075 -2.584 5.769 1.00 0.00 O ATOM 617 CB ALA A 41 -5.175 -4.563 7.471 1.00 0.00 C ATOM 0 H ALA A 41 -4.667 -6.585 6.164 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.129 -3.969 5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.338 -3.553 7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.134 -5.070 7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.549 -5.113 8.173 1.00 0.00 H new ATOM 623 N LYS A 42 -2.172 -4.346 6.835 1.00 0.00 N ATOM 624 CA LYS A 42 -0.868 -3.716 7.004 1.00 0.00 C ATOM 625 C LYS A 42 -0.326 -3.219 5.667 1.00 0.00 C ATOM 626 O LYS A 42 0.016 -2.046 5.523 1.00 0.00 O ATOM 627 CB LYS A 42 0.120 -4.702 7.632 1.00 0.00 C ATOM 628 CG LYS A 42 0.109 -4.690 9.150 1.00 0.00 C ATOM 629 CD LYS A 42 1.186 -5.596 9.723 1.00 0.00 C ATOM 630 CE LYS A 42 1.448 -5.292 11.190 1.00 0.00 C ATOM 631 NZ LYS A 42 2.619 -6.049 11.713 1.00 0.00 N ATOM 0 H LYS A 42 -2.238 -5.288 7.220 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.989 -2.860 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.113 -5.708 7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.126 -4.468 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.261 -3.672 9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.868 -5.012 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.882 -6.637 9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.108 -5.472 9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.622 -4.223 11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.563 -5.541 11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.764 -5.814 12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.443 -7.070 11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.469 -5.793 11.171 1.00 0.00 H new ATOM 645 N VAL A 43 -0.253 -4.119 4.692 1.00 0.00 N ATOM 646 CA VAL A 43 0.244 -3.771 3.366 1.00 0.00 C ATOM 647 C VAL A 43 -0.476 -2.547 2.813 1.00 0.00 C ATOM 648 O VAL A 43 0.153 -1.545 2.474 1.00 0.00 O ATOM 649 CB VAL A 43 0.076 -4.941 2.379 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.574 -4.549 0.996 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.805 -6.176 2.887 1.00 0.00 C ATOM 0 H VAL A 43 -0.532 -5.095 4.795 1.00 0.00 H new ATOM 0 HA VAL A 43 1.305 -3.546 3.475 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.985 -5.179 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.447 -5.388 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.003 -3.695 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.629 -4.282 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.675 -6.993 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.867 -5.953 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.396 -6.468 3.854 1.00 0.00 H new ATOM 661 N ALA A 44 -1.799 -2.635 2.725 1.00 0.00 N ATOM 662 CA ALA A 44 -2.606 -1.533 2.216 1.00 0.00 C ATOM 663 C ALA A 44 -2.281 -0.232 2.943 1.00 0.00 C ATOM 664 O ALA A 44 -2.143 0.822 2.321 1.00 0.00 O ATOM 665 CB ALA A 44 -4.087 -1.857 2.348 1.00 0.00 C ATOM 0 H ALA A 44 -2.335 -3.458 3.000 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.367 -1.399 1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.677 -1.025 1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.315 -2.757 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.331 -2.021 3.397 1.00 0.00 H new ATOM 671 N THR A 45 -2.159 -0.312 4.264 1.00 0.00 N ATOM 672 CA THR A 45 -1.851 0.858 5.076 1.00 0.00 C ATOM 673 C THR A 45 -0.498 1.449 4.699 1.00 0.00 C ATOM 674 O THR A 45 -0.288 2.658 4.795 1.00 0.00 O ATOM 675 CB THR A 45 -1.848 0.515 6.578 1.00 0.00 C ATOM 676 OG1 THR A 45 -3.083 -0.114 6.939 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.647 1.767 7.418 1.00 0.00 C ATOM 0 H THR A 45 -2.269 -1.176 4.795 1.00 0.00 H new ATOM 0 HA THR A 45 -2.632 1.592 4.880 1.00 0.00 H new ATOM 0 HB THR A 45 -1.022 -0.169 6.770 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.091 -1.035 6.605 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.648 1.500 8.475 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.693 2.228 7.161 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.455 2.471 7.221 1.00 0.00 H new ATOM 685 N LYS A 46 0.419 0.589 4.268 1.00 0.00 N ATOM 686 CA LYS A 46 1.753 1.025 3.873 1.00 0.00 C ATOM 687 C LYS A 46 1.726 1.678 2.495 1.00 0.00 C ATOM 688 O LYS A 46 2.337 2.726 2.283 1.00 0.00 O ATOM 689 CB LYS A 46 2.719 -0.162 3.868 1.00 0.00 C ATOM 690 CG LYS A 46 3.356 -0.433 5.220 1.00 0.00 C ATOM 691 CD LYS A 46 2.524 -1.401 6.044 1.00 0.00 C ATOM 692 CE LYS A 46 3.316 -1.957 7.218 1.00 0.00 C ATOM 693 NZ LYS A 46 4.411 -2.861 6.770 1.00 0.00 N ATOM 0 H LYS A 46 0.262 -0.415 4.183 1.00 0.00 H new ATOM 0 HA LYS A 46 2.097 1.762 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.184 -1.054 3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.505 0.023 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.356 -0.842 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.470 0.505 5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.633 -0.894 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.185 -2.221 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.738 -1.133 7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.645 -2.501 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.714 -3.460 7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.069 -3.462 5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.217 -2.293 6.438 1.00 0.00 H new ATOM 707 N ILE A 47 1.014 1.054 1.563 1.00 0.00 N ATOM 708 CA ILE A 47 0.906 1.577 0.207 1.00 0.00 C ATOM 709 C ILE A 47 0.830 3.100 0.209 1.00 0.00 C ATOM 710 O ILE A 47 1.797 3.780 -0.133 1.00 0.00 O ATOM 711 CB ILE A 47 -0.330 1.013 -0.518 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.244 -0.511 -0.608 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.457 1.626 -1.904 1.00 0.00 C ATOM 714 CD1 ILE A 47 1.145 -1.021 -0.921 1.00 0.00 C ATOM 0 H ILE A 47 0.503 0.186 1.722 1.00 0.00 H new ATOM 0 HA ILE A 47 1.804 1.261 -0.325 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.220 1.274 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.576 -0.942 0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.932 -0.861 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.335 1.217 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.560 2.707 -1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.434 1.393 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.130 -2.110 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.473 -0.619 -1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.834 -0.702 -0.139 1.00 0.00 H new ATOM 726 N GLU A 48 -0.326 3.629 0.599 1.00 0.00 N ATOM 727 CA GLU A 48 -0.527 5.072 0.648 1.00 0.00 C ATOM 728 C GLU A 48 0.648 5.763 1.333 1.00 0.00 C ATOM 729 O GLU A 48 1.284 6.647 0.759 1.00 0.00 O ATOM 730 CB GLU A 48 -1.828 5.403 1.383 1.00 0.00 C ATOM 731 CG GLU A 48 -3.077 5.128 0.564 1.00 0.00 C ATOM 732 CD GLU A 48 -3.173 3.683 0.114 1.00 0.00 C ATOM 733 OE1 GLU A 48 -3.674 2.850 0.899 1.00 0.00 O ATOM 734 OE2 GLU A 48 -2.748 3.385 -1.021 1.00 0.00 O ATOM 0 H GLU A 48 -1.137 3.080 0.885 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.593 5.439 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.873 4.822 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.816 6.455 1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.957 5.380 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.084 5.778 -0.311 1.00 0.00 H new ATOM 741 N LYS A 49 0.930 5.354 2.565 1.00 0.00 N ATOM 742 CA LYS A 49 2.028 5.931 3.331 1.00 0.00 C ATOM 743 C LYS A 49 3.195 6.297 2.418 1.00 0.00 C ATOM 744 O LYS A 49 3.891 7.285 2.652 1.00 0.00 O ATOM 745 CB LYS A 49 2.498 4.951 4.408 1.00 0.00 C ATOM 746 CG LYS A 49 3.139 5.626 5.608 1.00 0.00 C ATOM 747 CD LYS A 49 2.927 4.822 6.879 1.00 0.00 C ATOM 748 CE LYS A 49 3.574 5.495 8.080 1.00 0.00 C ATOM 749 NZ LYS A 49 2.953 5.060 9.362 1.00 0.00 N ATOM 0 H LYS A 49 0.413 4.624 3.055 1.00 0.00 H new ATOM 0 HA LYS A 49 1.664 6.840 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.647 4.360 4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.213 4.256 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.207 5.751 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.718 6.624 5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.859 4.701 7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.344 3.823 6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.639 5.264 8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.484 6.577 7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.422 5.541 10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.942 5.303 9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.061 4.031 9.468 1.00 0.00 H new ATOM 763 N GLU A 50 3.401 5.495 1.378 1.00 0.00 N ATOM 764 CA GLU A 50 4.483 5.736 0.431 1.00 0.00 C ATOM 765 C GLU A 50 3.998 6.578 -0.746 1.00 0.00 C ATOM 766 O GLU A 50 4.607 7.591 -1.092 1.00 0.00 O ATOM 767 CB GLU A 50 5.051 4.409 -0.077 1.00 0.00 C ATOM 768 CG GLU A 50 6.396 4.548 -0.769 1.00 0.00 C ATOM 769 CD GLU A 50 7.492 5.007 0.173 1.00 0.00 C ATOM 770 OE1 GLU A 50 7.878 4.221 1.063 1.00 0.00 O ATOM 771 OE2 GLU A 50 7.964 6.154 0.020 1.00 0.00 O ATOM 0 H GLU A 50 2.833 4.673 1.170 1.00 0.00 H new ATOM 0 HA GLU A 50 5.269 6.285 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.153 3.722 0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.340 3.961 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.676 3.590 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.306 5.259 -1.590 1.00 0.00 H new ATOM 778 N LEU A 51 2.899 6.151 -1.358 1.00 0.00 N ATOM 779 CA LEU A 51 2.331 6.864 -2.497 1.00 0.00 C ATOM 780 C LEU A 51 2.174 8.349 -2.186 1.00 0.00 C ATOM 781 O LEU A 51 2.749 9.200 -2.866 1.00 0.00 O ATOM 782 CB LEU A 51 0.976 6.264 -2.875 1.00 0.00 C ATOM 783 CG LEU A 51 0.584 6.366 -4.350 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.493 5.495 -5.204 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.872 5.971 -4.543 1.00 0.00 C ATOM 0 H LEU A 51 2.383 5.314 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 51 3.015 6.758 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.976 5.211 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.205 6.755 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 51 0.703 7.402 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.200 5.580 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.526 5.824 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.406 4.456 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.133 6.050 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.018 4.944 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.510 6.636 -3.961 1.00 0.00 H new ATOM 797 N PHE A 52 1.394 8.653 -1.154 1.00 0.00 N ATOM 798 CA PHE A 52 1.163 10.036 -0.752 1.00 0.00 C ATOM 799 C PHE A 52 2.474 10.718 -0.370 1.00 0.00 C ATOM 800 O PHE A 52 2.597 11.940 -0.453 1.00 0.00 O ATOM 801 CB PHE A 52 0.185 10.091 0.423 1.00 0.00 C ATOM 802 CG PHE A 52 -0.233 11.486 0.790 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.954 12.264 -0.101 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.095 12.019 2.026 1.00 0.00 C ATOM 805 CE1 PHE A 52 -1.340 13.549 0.234 1.00 0.00 C ATOM 806 CE2 PHE A 52 -0.289 13.302 2.367 1.00 0.00 C ATOM 807 CZ PHE A 52 -1.007 14.068 1.470 1.00 0.00 C ATOM 0 H PHE A 52 0.911 7.961 -0.581 1.00 0.00 H new ATOM 0 HA PHE A 52 0.731 10.567 -1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.702 9.508 0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.645 9.618 1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.218 11.862 -1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.657 11.425 2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.901 14.146 -0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.028 13.705 3.334 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.308 15.071 1.734 1.00 0.00 H new ATOM 817 N SER A 53 3.449 9.918 0.049 1.00 0.00 N ATOM 818 CA SER A 53 4.750 10.444 0.449 1.00 0.00 C ATOM 819 C SER A 53 5.665 10.605 -0.761 1.00 0.00 C ATOM 820 O SER A 53 6.691 11.283 -0.692 1.00 0.00 O ATOM 821 CB SER A 53 5.403 9.519 1.478 1.00 0.00 C ATOM 822 OG SER A 53 6.592 10.091 1.994 1.00 0.00 O ATOM 0 H SER A 53 3.364 8.904 0.120 1.00 0.00 H new ATOM 0 HA SER A 53 4.596 11.425 0.899 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.705 9.326 2.293 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.628 8.558 1.016 1.00 0.00 H new ATOM 0 HG SER A 53 7.017 10.640 1.303 1.00 0.00 H new ATOM 828 N PHE A 54 5.288 9.976 -1.869 1.00 0.00 N ATOM 829 CA PHE A 54 6.074 10.047 -3.095 1.00 0.00 C ATOM 830 C PHE A 54 5.556 11.153 -4.010 1.00 0.00 C ATOM 831 O PHE A 54 6.335 11.853 -4.658 1.00 0.00 O ATOM 832 CB PHE A 54 6.039 8.705 -3.828 1.00 0.00 C ATOM 833 CG PHE A 54 6.972 8.638 -5.003 1.00 0.00 C ATOM 834 CD1 PHE A 54 8.277 8.200 -4.844 1.00 0.00 C ATOM 835 CD2 PHE A 54 6.545 9.014 -6.266 1.00 0.00 C ATOM 836 CE1 PHE A 54 9.138 8.138 -5.924 1.00 0.00 C ATOM 837 CE2 PHE A 54 7.401 8.954 -7.349 1.00 0.00 C ATOM 838 CZ PHE A 54 8.699 8.515 -7.178 1.00 0.00 C ATOM 0 H PHE A 54 4.442 9.411 -1.943 1.00 0.00 H new ATOM 0 HA PHE A 54 7.104 10.277 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.294 7.910 -3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.022 8.514 -4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.625 7.904 -3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.531 9.358 -6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.153 7.795 -5.787 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.055 9.250 -8.328 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.370 8.467 -8.023 1.00 0.00 H new ATOM 848 N PHE A 55 4.237 11.303 -4.058 1.00 0.00 N ATOM 849 CA PHE A 55 3.613 12.322 -4.894 1.00 0.00 C ATOM 850 C PHE A 55 3.444 13.629 -4.124 1.00 0.00 C ATOM 851 O PHE A 55 3.615 14.715 -4.678 1.00 0.00 O ATOM 852 CB PHE A 55 2.254 11.835 -5.401 1.00 0.00 C ATOM 853 CG PHE A 55 2.348 10.950 -6.611 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.497 11.496 -7.875 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.285 9.572 -6.484 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.583 10.685 -8.991 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.371 8.755 -7.595 1.00 0.00 C ATOM 858 CZ PHE A 55 2.519 9.312 -8.851 1.00 0.00 C ATOM 0 H PHE A 55 3.579 10.732 -3.528 1.00 0.00 H new ATOM 0 HA PHE A 55 4.266 12.506 -5.747 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.750 11.292 -4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.633 12.699 -5.640 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.547 12.569 -7.990 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.167 9.131 -5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.700 11.124 -9.971 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.323 7.682 -7.482 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.584 8.676 -9.721 1.00 0.00 H new ATOM 868 N ARG A 56 3.105 13.514 -2.845 1.00 0.00 N ATOM 869 CA ARG A 56 2.909 14.686 -1.999 1.00 0.00 C ATOM 870 C ARG A 56 1.782 15.563 -2.536 1.00 0.00 C ATOM 871 O ARG A 56 1.812 16.785 -2.394 1.00 0.00 O ATOM 872 CB ARG A 56 4.203 15.497 -1.908 1.00 0.00 C ATOM 873 CG ARG A 56 5.123 15.053 -0.783 1.00 0.00 C ATOM 874 CD ARG A 56 6.019 16.189 -0.314 1.00 0.00 C ATOM 875 NE ARG A 56 7.087 15.718 0.562 1.00 0.00 N ATOM 876 CZ ARG A 56 8.114 14.986 0.142 1.00 0.00 C ATOM 877 NH1 ARG A 56 8.210 14.645 -1.135 1.00 0.00 N ATOM 878 NH2 ARG A 56 9.047 14.595 1.001 1.00 0.00 N ATOM 0 H ARG A 56 2.960 12.622 -2.371 1.00 0.00 H new ATOM 0 HA ARG A 56 2.633 14.342 -1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.737 15.420 -2.855 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.953 16.549 -1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.527 14.689 0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.738 14.219 -1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.454 16.688 -1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.418 16.930 0.213 1.00 0.00 H new ATOM 0 HE ARG A 56 7.043 15.964 1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.495 14.944 -1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.999 14.083 -1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.976 14.856 1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.835 14.033 0.678 1.00 0.00 H new ATOM 892 N ASP A 57 0.791 14.930 -3.154 1.00 0.00 N ATOM 893 CA ASP A 57 -0.346 15.653 -3.712 1.00 0.00 C ATOM 894 C ASP A 57 -1.435 14.685 -4.165 1.00 0.00 C ATOM 895 O ASP A 57 -1.215 13.851 -5.044 1.00 0.00 O ATOM 896 CB ASP A 57 0.102 16.522 -4.888 1.00 0.00 C ATOM 897 CG ASP A 57 0.971 15.762 -5.871 1.00 0.00 C ATOM 898 OD1 ASP A 57 0.461 14.814 -6.504 1.00 0.00 O ATOM 899 OD2 ASP A 57 2.160 16.117 -6.008 1.00 0.00 O ATOM 0 H ASP A 57 0.752 13.919 -3.281 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.756 16.295 -2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.776 16.908 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.653 17.383 -4.510 1.00 0.00 H new ATOM 904 N THR A 58 -2.613 14.801 -3.558 1.00 0.00 N ATOM 905 CA THR A 58 -3.735 13.936 -3.896 1.00 0.00 C ATOM 906 C THR A 58 -4.438 14.416 -5.161 1.00 0.00 C ATOM 907 O THR A 58 -5.646 14.654 -5.160 1.00 0.00 O ATOM 908 CB THR A 58 -4.760 13.869 -2.748 1.00 0.00 C ATOM 909 OG1 THR A 58 -4.912 15.162 -2.152 1.00 0.00 O ATOM 910 CG2 THR A 58 -4.323 12.866 -1.691 1.00 0.00 C ATOM 0 H THR A 58 -2.813 15.486 -2.830 1.00 0.00 H new ATOM 0 HA THR A 58 -3.325 12.940 -4.066 1.00 0.00 H new ATOM 0 HB THR A 58 -5.715 13.545 -3.161 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.566 15.112 -1.424 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.062 12.836 -0.890 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.236 11.877 -2.142 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.358 13.165 -1.283 1.00 0.00 H new ATOM 918 N ASP A 59 -3.674 14.555 -6.239 1.00 0.00 N ATOM 919 CA ASP A 59 -4.224 15.006 -7.513 1.00 0.00 C ATOM 920 C ASP A 59 -4.326 13.848 -8.501 1.00 0.00 C ATOM 921 O ASP A 59 -3.995 12.708 -8.173 1.00 0.00 O ATOM 922 CB ASP A 59 -3.358 16.120 -8.101 1.00 0.00 C ATOM 923 CG ASP A 59 -3.740 17.490 -7.575 1.00 0.00 C ATOM 924 OD1 ASP A 59 -4.813 17.606 -6.946 1.00 0.00 O ATOM 925 OD2 ASP A 59 -2.967 18.445 -7.792 1.00 0.00 O ATOM 0 H ASP A 59 -2.673 14.362 -6.257 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.226 15.394 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.311 15.924 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.450 16.113 -9.187 1.00 0.00 H new ATOM 930 N ALA A 60 -4.786 14.148 -9.711 1.00 0.00 N ATOM 931 CA ALA A 60 -4.930 13.132 -10.747 1.00 0.00 C ATOM 932 C ALA A 60 -3.791 12.120 -10.685 1.00 0.00 C ATOM 933 O ALA A 60 -4.008 10.943 -10.398 1.00 0.00 O ATOM 934 CB ALA A 60 -4.986 13.784 -12.120 1.00 0.00 C ATOM 0 H ALA A 60 -5.065 15.086 -9.998 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.864 12.599 -10.572 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.094 13.014 -12.884 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.838 14.463 -12.166 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.067 14.343 -12.295 1.00 0.00 H new ATOM 940 N LYS A 61 -2.577 12.585 -10.958 1.00 0.00 N ATOM 941 CA LYS A 61 -1.403 11.721 -10.933 1.00 0.00 C ATOM 942 C LYS A 61 -1.511 10.687 -9.817 1.00 0.00 C ATOM 943 O LYS A 61 -1.569 9.485 -10.076 1.00 0.00 O ATOM 944 CB LYS A 61 -0.134 12.556 -10.747 1.00 0.00 C ATOM 945 CG LYS A 61 0.027 13.657 -11.781 1.00 0.00 C ATOM 946 CD LYS A 61 1.490 13.990 -12.019 1.00 0.00 C ATOM 947 CE LYS A 61 2.089 13.118 -13.112 1.00 0.00 C ATOM 948 NZ LYS A 61 3.191 13.812 -13.834 1.00 0.00 N ATOM 0 H LYS A 61 -2.380 13.556 -11.199 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.349 11.196 -11.887 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.145 13.002 -9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.734 11.898 -10.791 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.433 13.346 -12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.501 14.550 -11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.585 15.040 -12.297 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.051 13.853 -11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.467 12.195 -12.673 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.310 12.838 -13.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.573 13.185 -14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.825 14.680 -14.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.946 14.056 -13.162 1.00 0.00 H new ATOM 962 N TYR A 62 -1.540 11.163 -8.577 1.00 0.00 N ATOM 963 CA TYR A 62 -1.641 10.279 -7.422 1.00 0.00 C ATOM 964 C TYR A 62 -2.594 9.121 -7.704 1.00 0.00 C ATOM 965 O TYR A 62 -2.249 7.955 -7.509 1.00 0.00 O ATOM 966 CB TYR A 62 -2.118 11.059 -6.196 1.00 0.00 C ATOM 967 CG TYR A 62 -2.584 10.177 -5.060 1.00 0.00 C ATOM 968 CD1 TYR A 62 -1.671 9.562 -4.213 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.937 9.959 -4.834 1.00 0.00 C ATOM 970 CE1 TYR A 62 -2.092 8.755 -3.174 1.00 0.00 C ATOM 971 CE2 TYR A 62 -4.368 9.154 -3.797 1.00 0.00 C ATOM 972 CZ TYR A 62 -3.441 8.554 -2.969 1.00 0.00 C ATOM 973 OH TYR A 62 -3.866 7.751 -1.936 1.00 0.00 O ATOM 0 H TYR A 62 -1.495 12.156 -8.346 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.650 9.871 -7.222 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.306 11.694 -5.842 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.934 11.719 -6.491 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.614 9.717 -4.369 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.665 10.427 -5.480 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.368 8.284 -2.525 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.424 8.995 -3.635 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.218 7.792 -1.202 1.00 0.00 H new ATOM 983 N LYS A 63 -3.796 9.451 -8.163 1.00 0.00 N ATOM 984 CA LYS A 63 -4.801 8.441 -8.475 1.00 0.00 C ATOM 985 C LYS A 63 -4.350 7.566 -9.639 1.00 0.00 C ATOM 986 O LYS A 63 -4.473 6.343 -9.592 1.00 0.00 O ATOM 987 CB LYS A 63 -6.137 9.108 -8.812 1.00 0.00 C ATOM 988 CG LYS A 63 -6.780 9.814 -7.630 1.00 0.00 C ATOM 989 CD LYS A 63 -7.680 10.951 -8.083 1.00 0.00 C ATOM 990 CE LYS A 63 -8.508 11.498 -6.930 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.704 12.244 -7.412 1.00 0.00 N ATOM 0 H LYS A 63 -4.099 10.411 -8.328 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.929 7.809 -7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.981 9.829 -9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.825 8.353 -9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.361 9.098 -7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.004 10.203 -6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.073 11.750 -8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.343 10.599 -8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.827 10.676 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.890 12.157 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.242 12.601 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.399 13.044 -8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.306 11.609 -7.973 1.00 0.00 H new ATOM 1005 N ASN A 64 -3.826 8.201 -10.683 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.355 7.478 -11.859 1.00 0.00 C ATOM 1007 C ASN A 64 -2.543 6.252 -11.455 1.00 0.00 C ATOM 1008 O ASN A 64 -2.759 5.154 -11.969 1.00 0.00 O ATOM 1009 CB ASN A 64 -2.508 8.397 -12.742 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.155 7.757 -14.071 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -2.639 8.177 -15.122 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -1.308 6.736 -14.029 1.00 0.00 N ATOM 0 H ASN A 64 -3.717 9.214 -10.738 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.226 7.144 -12.423 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.051 9.325 -12.921 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.592 8.660 -12.214 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.033 6.265 -14.891 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.932 6.422 -13.134 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.608 6.446 -10.531 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.764 5.356 -10.056 1.00 0.00 C ATOM 1021 C LYS A 65 -1.564 4.384 -9.194 1.00 0.00 C ATOM 1022 O LYS A 65 -1.596 3.183 -9.462 1.00 0.00 O ATOM 1023 CB LYS A 65 0.417 5.910 -9.257 1.00 0.00 C ATOM 1024 CG LYS A 65 1.265 4.835 -8.600 1.00 0.00 C ATOM 1025 CD LYS A 65 2.006 4.001 -9.631 1.00 0.00 C ATOM 1026 CE LYS A 65 3.296 4.676 -10.071 1.00 0.00 C ATOM 1027 NZ LYS A 65 4.153 3.763 -10.877 1.00 0.00 N ATOM 0 H LYS A 65 -1.416 7.348 -10.096 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.386 4.817 -10.925 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.047 6.503 -9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.040 6.584 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.982 5.299 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.629 4.188 -7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.232 3.020 -9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.365 3.838 -10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.060 5.564 -10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.848 5.011 -9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.687 4.316 -11.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.817 3.266 -10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.555 3.068 -11.368 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.208 4.912 -8.159 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.007 4.091 -7.257 1.00 0.00 C ATOM 1043 C TYR A 66 -3.873 3.107 -8.038 1.00 0.00 C ATOM 1044 O TYR A 66 -3.819 1.899 -7.810 1.00 0.00 O ATOM 1045 CB TYR A 66 -3.891 4.976 -6.376 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.177 4.309 -5.944 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -5.157 3.146 -5.184 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.411 4.841 -6.296 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.330 2.532 -4.787 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.588 4.235 -5.902 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.543 3.081 -5.148 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.713 2.474 -4.756 1.00 0.00 O ATOM 0 H TYR A 66 -2.192 5.904 -7.924 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.325 3.524 -6.624 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.328 5.269 -5.490 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.130 5.890 -6.919 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.209 2.714 -4.899 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.451 5.744 -6.888 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.297 1.628 -4.198 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.539 4.663 -6.183 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.824 1.632 -5.245 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.670 3.635 -8.962 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.548 2.805 -9.778 1.00 0.00 C ATOM 1064 C ARG A 67 -4.746 1.767 -10.557 1.00 0.00 C ATOM 1065 O ARG A 67 -5.224 0.662 -10.812 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.353 3.674 -10.745 1.00 0.00 C ATOM 1067 CG ARG A 67 -5.503 4.352 -11.807 1.00 0.00 C ATOM 1068 CD ARG A 67 -6.312 4.655 -13.059 1.00 0.00 C ATOM 1069 NE ARG A 67 -6.315 3.533 -13.994 1.00 0.00 N ATOM 1070 CZ ARG A 67 -6.787 3.611 -15.233 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -7.290 4.752 -15.684 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -6.755 2.546 -16.024 1.00 0.00 N ATOM 0 H ARG A 67 -4.725 4.633 -9.164 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.235 2.283 -9.112 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.106 3.056 -11.234 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.886 4.436 -10.177 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.089 5.278 -11.407 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.660 3.711 -12.064 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.337 4.896 -12.778 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.901 5.536 -13.552 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.934 2.641 -13.678 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.315 5.573 -15.079 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.652 4.809 -16.636 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.368 1.667 -15.681 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.118 2.606 -16.975 1.00 0.00 H new ATOM 1086 N SER A 68 -3.524 2.131 -10.933 1.00 0.00 N ATOM 1087 CA SER A 68 -2.657 1.234 -11.687 1.00 0.00 C ATOM 1088 C SER A 68 -2.055 0.168 -10.776 1.00 0.00 C ATOM 1089 O SER A 68 -1.672 -0.911 -11.232 1.00 0.00 O ATOM 1090 CB SER A 68 -1.541 2.025 -12.372 1.00 0.00 C ATOM 1091 OG SER A 68 -2.047 2.790 -13.452 1.00 0.00 O ATOM 0 H SER A 68 -3.112 3.041 -10.728 1.00 0.00 H new ATOM 0 HA SER A 68 -3.261 0.739 -12.448 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.061 2.684 -11.648 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.775 1.340 -12.735 1.00 0.00 H new ATOM 0 HG SER A 68 -2.335 3.668 -13.125 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.974 0.477 -9.487 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.419 -0.453 -8.510 1.00 0.00 C ATOM 1099 C LEU A 69 -2.408 -1.573 -8.202 1.00 0.00 C ATOM 1100 O LEU A 69 -2.029 -2.741 -8.112 1.00 0.00 O ATOM 1101 CB LEU A 69 -1.052 0.287 -7.222 1.00 0.00 C ATOM 1102 CG LEU A 69 0.025 1.364 -7.351 1.00 0.00 C ATOM 1103 CD1 LEU A 69 0.561 1.750 -5.981 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.153 0.885 -8.252 1.00 0.00 C ATOM 0 H LEU A 69 -2.286 1.365 -9.094 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.519 -0.895 -8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.954 0.750 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.718 -0.446 -6.488 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.424 2.248 -7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.327 2.518 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.253 2.136 -5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.994 0.873 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.911 1.665 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.601 -0.014 -7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.757 0.660 -9.242 1.00 0.00 H new ATOM 1116 N MET A 70 -3.676 -1.209 -8.044 1.00 0.00 N ATOM 1117 CA MET A 70 -4.720 -2.185 -7.749 1.00 0.00 C ATOM 1118 C MET A 70 -5.299 -2.766 -9.035 1.00 0.00 C ATOM 1119 O MET A 70 -5.831 -3.876 -9.042 1.00 0.00 O ATOM 1120 CB MET A 70 -5.832 -1.539 -6.921 1.00 0.00 C ATOM 1121 CG MET A 70 -6.891 -0.845 -7.763 1.00 0.00 C ATOM 1122 SD MET A 70 -8.001 0.178 -6.777 1.00 0.00 S ATOM 1123 CE MET A 70 -8.641 -1.032 -5.622 1.00 0.00 C ATOM 0 H MET A 70 -4.006 -0.246 -8.115 1.00 0.00 H new ATOM 0 HA MET A 70 -4.273 -2.996 -7.174 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.310 -2.304 -6.309 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.390 -0.814 -6.237 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.403 -0.225 -8.515 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.473 -1.595 -8.298 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.397 -0.567 -4.989 1.00 0.00 H new ATOM 0 HE2 MET A 70 -9.088 -1.860 -6.173 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.828 -1.407 -5.000 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.191 -2.009 -10.122 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.706 -2.450 -11.414 1.00 0.00 C ATOM 1135 C PHE A 71 -5.132 -3.812 -11.792 1.00 0.00 C ATOM 1136 O PHE A 71 -5.807 -4.629 -12.417 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.368 -1.424 -12.498 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.467 -1.971 -13.893 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -6.701 -2.258 -14.453 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -4.325 -2.198 -14.644 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -6.795 -2.761 -15.737 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -4.413 -2.701 -15.928 1.00 0.00 C ATOM 1143 CZ PHE A 71 -5.649 -2.984 -16.475 1.00 0.00 C ATOM 0 H PHE A 71 -4.752 -1.088 -10.134 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.789 -2.541 -11.333 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.040 -0.571 -12.402 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.357 -1.053 -12.333 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.600 -2.087 -13.880 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.356 -1.979 -14.221 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.763 -2.979 -16.163 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.515 -2.873 -16.504 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.719 -3.379 -17.478 1.00 0.00 H new ATOM 1153 N ASN A 72 -3.882 -4.049 -11.407 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.217 -5.312 -11.706 1.00 0.00 C ATOM 1155 C ASN A 72 -3.461 -6.331 -10.598 1.00 0.00 C ATOM 1156 O ASN A 72 -3.472 -7.539 -10.841 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.714 -5.090 -11.888 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.388 -4.379 -13.187 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -1.129 -5.016 -14.209 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.399 -3.051 -13.154 1.00 0.00 N ATOM 0 H ASN A 72 -3.310 -3.383 -10.888 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.635 -5.703 -12.633 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.332 -4.505 -11.051 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.202 -6.052 -11.865 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.187 -2.518 -13.998 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.619 -2.564 -12.285 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.657 -5.838 -9.380 1.00 0.00 N ATOM 1168 CA LEU A 73 -3.902 -6.705 -8.233 1.00 0.00 C ATOM 1169 C LEU A 73 -5.185 -7.509 -8.423 1.00 0.00 C ATOM 1170 O LEU A 73 -5.267 -8.670 -8.023 1.00 0.00 O ATOM 1171 CB LEU A 73 -3.992 -5.875 -6.951 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.680 -5.271 -6.450 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -2.953 -4.125 -5.488 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -1.823 -6.337 -5.783 1.00 0.00 C ATOM 0 H LEU A 73 -3.651 -4.842 -9.161 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.067 -7.401 -8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.702 -5.065 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.404 -6.505 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.133 -4.877 -7.306 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.008 -3.707 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.527 -3.351 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.521 -4.494 -4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.893 -5.889 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.363 -6.761 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.598 -7.125 -6.502 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.183 -6.884 -9.037 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.462 -7.541 -9.284 1.00 0.00 C ATOM 1188 C LYS A 74 -7.406 -8.378 -10.558 1.00 0.00 C ATOM 1189 O LYS A 74 -8.093 -9.392 -10.675 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.580 -6.502 -9.392 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.358 -5.482 -10.496 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.344 -4.330 -10.396 1.00 0.00 C ATOM 1193 CE LYS A 74 -10.678 -4.681 -11.037 1.00 0.00 C ATOM 1194 NZ LYS A 74 -10.555 -4.865 -12.509 1.00 0.00 N ATOM 0 H LYS A 74 -6.131 -5.922 -9.373 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.670 -8.203 -8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.526 -7.015 -9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.673 -5.980 -8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.340 -5.097 -10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.460 -5.967 -11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.499 -4.072 -9.348 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.926 -3.449 -10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.067 -5.595 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.400 -3.891 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.482 -4.715 -12.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.872 -4.179 -12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.225 -5.830 -12.712 1.00 0.00 H new ATOM 1208 N ASP A 75 -6.584 -7.947 -11.508 1.00 0.00 N ATOM 1209 CA ASP A 75 -6.437 -8.659 -12.772 1.00 0.00 C ATOM 1210 C ASP A 75 -6.504 -10.167 -12.558 1.00 0.00 C ATOM 1211 O ASP A 75 -5.701 -10.752 -11.829 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.113 -8.285 -13.442 1.00 0.00 C ATOM 1213 CG ASP A 75 -4.781 -9.189 -14.612 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -5.717 -9.605 -15.325 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -3.583 -9.480 -14.815 1.00 0.00 O ATOM 0 H ASP A 75 -6.009 -7.108 -11.427 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.261 -8.366 -13.423 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.163 -7.252 -13.787 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.310 -8.337 -12.707 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.484 -10.814 -13.205 1.00 0.00 N ATOM 1221 CA PRO A 76 -7.680 -12.263 -13.100 1.00 0.00 C ATOM 1222 C PRO A 76 -6.571 -13.050 -13.791 1.00 0.00 C ATOM 1223 O PRO A 76 -6.467 -14.266 -13.633 1.00 0.00 O ATOM 1224 CB PRO A 76 -9.018 -12.492 -13.807 1.00 0.00 C ATOM 1225 CG PRO A 76 -9.145 -11.351 -14.757 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.477 -10.181 -14.090 1.00 0.00 C ATOM 0 HA PRO A 76 -7.666 -12.602 -12.064 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.030 -13.447 -14.332 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.844 -12.509 -13.096 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.668 -11.581 -15.710 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.192 -11.134 -14.969 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.004 -9.520 -14.817 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.190 -9.578 -13.528 1.00 0.00 H new ATOM 1234 N LYS A 77 -5.744 -12.348 -14.558 1.00 0.00 N ATOM 1235 CA LYS A 77 -4.641 -12.979 -15.273 1.00 0.00 C ATOM 1236 C LYS A 77 -3.337 -12.838 -14.494 1.00 0.00 C ATOM 1237 O LYS A 77 -2.375 -13.565 -14.740 1.00 0.00 O ATOM 1238 CB LYS A 77 -4.486 -12.359 -16.663 1.00 0.00 C ATOM 1239 CG LYS A 77 -5.807 -12.118 -17.372 1.00 0.00 C ATOM 1240 CD LYS A 77 -5.620 -12.001 -18.876 1.00 0.00 C ATOM 1241 CE LYS A 77 -5.314 -10.570 -19.290 1.00 0.00 C ATOM 1242 NZ LYS A 77 -4.873 -10.486 -20.710 1.00 0.00 N ATOM 0 H LYS A 77 -5.817 -11.341 -14.701 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.869 -14.040 -15.378 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.954 -11.412 -16.572 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.868 -13.014 -17.277 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.493 -12.936 -17.152 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.265 -11.206 -16.989 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.808 -12.655 -19.195 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.522 -12.343 -19.384 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.201 -9.953 -19.148 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.536 -10.163 -18.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.674 -9.495 -20.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.012 -11.054 -20.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.625 -10.850 -21.329 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.313 -11.900 -13.553 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.127 -11.665 -12.737 1.00 0.00 C ATOM 1258 C ASN A 78 -2.147 -12.537 -11.485 1.00 0.00 C ATOM 1259 O ASN A 78 -1.423 -13.528 -11.395 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.037 -10.190 -12.344 1.00 0.00 C ATOM 1261 CG ASN A 78 -1.093 -9.958 -11.180 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -0.334 -10.848 -10.795 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -1.135 -8.758 -10.613 1.00 0.00 N ATOM 0 H ASN A 78 -4.101 -11.290 -13.336 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.251 -11.930 -13.329 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.701 -9.608 -13.202 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.030 -9.826 -12.081 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.523 -8.544 -9.826 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.780 -8.050 -10.965 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.981 -12.160 -10.522 1.00 0.00 N ATOM 1271 CA ASN A 79 -3.095 -12.908 -9.275 1.00 0.00 C ATOM 1272 C ASN A 79 -1.724 -13.366 -8.788 1.00 0.00 C ATOM 1273 O ASN A 79 -1.565 -14.497 -8.325 1.00 0.00 O ATOM 1274 CB ASN A 79 -4.013 -14.117 -9.463 1.00 0.00 C ATOM 1275 CG ASN A 79 -3.631 -14.950 -10.671 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -3.875 -14.557 -11.812 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -3.030 -16.108 -10.425 1.00 0.00 N ATOM 0 H ASN A 79 -3.587 -11.342 -10.581 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.526 -12.248 -8.522 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.977 -14.740 -8.569 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.042 -13.775 -9.572 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.751 -16.712 -11.198 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.848 -16.394 -9.463 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.738 -12.482 -8.894 1.00 0.00 N ATOM 1285 CA ILE A 80 0.618 -12.796 -8.463 1.00 0.00 C ATOM 1286 C ILE A 80 1.167 -11.711 -7.542 1.00 0.00 C ATOM 1287 O ILE A 80 1.690 -12.002 -6.465 1.00 0.00 O ATOM 1288 CB ILE A 80 1.567 -12.961 -9.665 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.308 -14.296 -10.366 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.016 -12.866 -9.213 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.130 -15.439 -9.812 1.00 0.00 C ATOM 0 H ILE A 80 -0.853 -11.543 -9.275 1.00 0.00 H new ATOM 0 HA ILE A 80 0.566 -13.739 -7.919 1.00 0.00 H new ATOM 0 HB ILE A 80 1.375 -12.156 -10.374 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.250 -14.544 -10.278 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.523 -14.187 -11.429 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.674 -12.985 -10.074 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.191 -11.893 -8.754 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.223 -13.652 -8.487 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.895 -16.354 -10.356 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.190 -15.213 -9.924 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.898 -15.575 -8.756 1.00 0.00 H new ATOM 1303 N LEU A 81 1.044 -10.460 -7.972 1.00 0.00 N ATOM 1304 CA LEU A 81 1.526 -9.330 -7.185 1.00 0.00 C ATOM 1305 C LEU A 81 0.889 -9.320 -5.799 1.00 0.00 C ATOM 1306 O LEU A 81 1.584 -9.255 -4.785 1.00 0.00 O ATOM 1307 CB LEU A 81 1.224 -8.016 -7.907 1.00 0.00 C ATOM 1308 CG LEU A 81 2.205 -6.870 -7.652 1.00 0.00 C ATOM 1309 CD1 LEU A 81 3.558 -7.177 -8.275 1.00 0.00 C ATOM 1310 CD2 LEU A 81 1.649 -5.562 -8.196 1.00 0.00 C ATOM 0 H LEU A 81 0.615 -10.203 -8.861 1.00 0.00 H new ATOM 0 HA LEU A 81 2.605 -9.434 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.195 -8.212 -8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.227 -7.686 -7.617 1.00 0.00 H new ATOM 0 HG LEU A 81 2.340 -6.765 -6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.243 -6.351 -8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.961 -8.091 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.442 -7.310 -9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.360 -4.758 -8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.485 -5.655 -9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.704 -5.335 -7.703 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.438 -9.388 -5.763 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.169 -9.388 -4.502 1.00 0.00 C ATOM 1324 C PHE A 82 -0.568 -10.394 -3.524 1.00 0.00 C ATOM 1325 O PHE A 82 -0.439 -10.117 -2.331 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.645 -9.714 -4.743 1.00 0.00 C ATOM 1327 CG PHE A 82 -2.950 -11.184 -4.694 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -3.253 -11.803 -3.492 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -2.932 -11.947 -5.851 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.535 -13.155 -3.444 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.213 -13.299 -5.809 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.513 -13.905 -4.604 1.00 0.00 C ATOM 0 H PHE A 82 -1.028 -9.444 -6.593 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.090 -8.392 -4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.249 -9.201 -3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.941 -9.322 -5.716 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.269 -11.222 -2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.696 -11.480 -6.796 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.772 -13.625 -2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.198 -13.882 -6.718 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.730 -14.962 -4.569 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.202 -11.563 -4.038 1.00 0.00 N ATOM 1343 CA LYS A 83 0.387 -12.611 -3.214 1.00 0.00 C ATOM 1344 C LYS A 83 1.848 -12.302 -2.902 1.00 0.00 C ATOM 1345 O LYS A 83 2.328 -12.570 -1.800 1.00 0.00 O ATOM 1346 CB LYS A 83 0.280 -13.965 -3.920 1.00 0.00 C ATOM 1347 CG LYS A 83 0.881 -15.113 -3.129 1.00 0.00 C ATOM 1348 CD LYS A 83 1.422 -16.199 -4.044 1.00 0.00 C ATOM 1349 CE LYS A 83 0.318 -17.134 -4.512 1.00 0.00 C ATOM 1350 NZ LYS A 83 0.839 -18.493 -4.826 1.00 0.00 N ATOM 0 H LYS A 83 -0.303 -11.809 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.165 -12.653 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.770 -14.181 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.778 -13.901 -4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.684 -14.738 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.124 -15.536 -2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.904 -15.742 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.187 -16.771 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.447 -17.208 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.162 -16.715 -5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.056 -19.101 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.551 -18.426 -5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.274 -18.903 -3.975 1.00 0.00 H new ATOM 1364 N LYS A 84 2.549 -11.736 -3.877 1.00 0.00 N ATOM 1365 CA LYS A 84 3.955 -11.387 -3.707 1.00 0.00 C ATOM 1366 C LYS A 84 4.141 -10.441 -2.525 1.00 0.00 C ATOM 1367 O LYS A 84 4.933 -10.709 -1.621 1.00 0.00 O ATOM 1368 CB LYS A 84 4.499 -10.740 -4.982 1.00 0.00 C ATOM 1369 CG LYS A 84 5.093 -11.736 -5.964 1.00 0.00 C ATOM 1370 CD LYS A 84 4.867 -11.302 -7.402 1.00 0.00 C ATOM 1371 CE LYS A 84 5.852 -10.222 -7.820 1.00 0.00 C ATOM 1372 NZ LYS A 84 6.176 -10.298 -9.272 1.00 0.00 N ATOM 0 H LYS A 84 2.167 -11.509 -4.795 1.00 0.00 H new ATOM 0 HA LYS A 84 4.510 -12.304 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.694 -10.193 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.262 -10.010 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.162 -11.839 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.646 -12.717 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.967 -12.163 -8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.849 -10.930 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.434 -9.241 -7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.768 -10.321 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.207 -10.249 -9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.821 -11.195 -9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.727 -9.503 -9.770 1.00 0.00 H new ATOM 1386 N VAL A 85 3.405 -9.334 -2.536 1.00 0.00 N ATOM 1387 CA VAL A 85 3.488 -8.350 -1.464 1.00 0.00 C ATOM 1388 C VAL A 85 3.117 -8.969 -0.121 1.00 0.00 C ATOM 1389 O VAL A 85 3.835 -8.811 0.868 1.00 0.00 O ATOM 1390 CB VAL A 85 2.565 -7.147 -1.734 1.00 0.00 C ATOM 1391 CG1 VAL A 85 2.787 -6.059 -0.694 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.792 -6.607 -3.138 1.00 0.00 C ATOM 0 H VAL A 85 2.744 -9.096 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 85 4.521 -8.005 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 85 1.530 -7.481 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.126 -5.217 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.570 -6.455 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.824 -5.725 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.132 -5.757 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.829 -6.288 -3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.578 -7.388 -3.867 1.00 0.00 H new ATOM 1402 N LEU A 86 1.992 -9.674 -0.091 1.00 0.00 N ATOM 1403 CA LEU A 86 1.525 -10.318 1.132 1.00 0.00 C ATOM 1404 C LEU A 86 2.574 -11.282 1.675 1.00 0.00 C ATOM 1405 O LEU A 86 3.032 -11.145 2.810 1.00 0.00 O ATOM 1406 CB LEU A 86 0.216 -11.066 0.870 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.066 -10.242 1.003 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -0.874 -8.856 0.407 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.230 -10.956 0.333 1.00 0.00 C ATOM 0 H LEU A 86 1.386 -9.814 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 86 1.351 -9.542 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.254 -11.482 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.157 -11.907 1.561 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.295 -10.130 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.796 -8.284 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.068 -8.343 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.620 -8.946 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.134 -10.356 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.009 -11.099 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.382 -11.926 0.806 1.00 0.00 H new ATOM 1421 N LYS A 87 2.954 -12.257 0.856 1.00 0.00 N ATOM 1422 CA LYS A 87 3.953 -13.243 1.251 1.00 0.00 C ATOM 1423 C LYS A 87 5.249 -12.563 1.681 1.00 0.00 C ATOM 1424 O LYS A 87 5.968 -13.066 2.543 1.00 0.00 O ATOM 1425 CB LYS A 87 4.230 -14.209 0.096 1.00 0.00 C ATOM 1426 CG LYS A 87 4.636 -15.601 0.551 1.00 0.00 C ATOM 1427 CD LYS A 87 3.447 -16.379 1.090 1.00 0.00 C ATOM 1428 CE LYS A 87 3.882 -17.440 2.089 1.00 0.00 C ATOM 1429 NZ LYS A 87 4.209 -18.730 1.421 1.00 0.00 N ATOM 0 H LYS A 87 2.585 -12.385 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 87 3.559 -13.803 2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.338 -14.285 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.020 -13.796 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.079 -16.143 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.402 -15.524 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.748 -15.693 1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.915 -16.852 0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.753 -17.085 2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.088 -17.600 2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.501 -19.427 2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.370 -19.082 0.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.984 -18.583 0.744 1.00 0.00 H new ATOM 1443 N GLY A 88 5.539 -11.416 1.076 1.00 0.00 N ATOM 1444 CA GLY A 88 6.747 -10.685 1.411 1.00 0.00 C ATOM 1445 C GLY A 88 7.620 -10.422 0.200 1.00 0.00 C ATOM 1446 O GLY A 88 8.429 -9.494 0.200 1.00 0.00 O ATOM 0 H GLY A 88 4.959 -10.979 0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.477 -9.736 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.316 -11.249 2.150 1.00 0.00 H new ATOM 1450 N GLU A 89 7.458 -11.242 -0.834 1.00 0.00 N ATOM 1451 CA GLU A 89 8.241 -11.093 -2.055 1.00 0.00 C ATOM 1452 C GLU A 89 8.437 -9.620 -2.401 1.00 0.00 C ATOM 1453 O GLU A 89 9.554 -9.105 -2.365 1.00 0.00 O ATOM 1454 CB GLU A 89 7.555 -11.815 -3.218 1.00 0.00 C ATOM 1455 CG GLU A 89 7.834 -13.308 -3.257 1.00 0.00 C ATOM 1456 CD GLU A 89 9.246 -13.626 -3.709 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.167 -12.857 -3.361 1.00 0.00 O ATOM 1458 OE2 GLU A 89 9.431 -14.643 -4.410 1.00 0.00 O ATOM 0 H GLU A 89 6.793 -12.015 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 89 9.220 -11.541 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.479 -11.657 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.883 -11.368 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.670 -13.730 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.124 -13.789 -3.930 1.00 0.00 H new ATOM 1465 N VAL A 90 7.341 -8.947 -2.737 1.00 0.00 N ATOM 1466 CA VAL A 90 7.390 -7.533 -3.089 1.00 0.00 C ATOM 1467 C VAL A 90 7.140 -6.654 -1.869 1.00 0.00 C ATOM 1468 O VAL A 90 6.516 -7.082 -0.897 1.00 0.00 O ATOM 1469 CB VAL A 90 6.355 -7.188 -4.177 1.00 0.00 C ATOM 1470 CG1 VAL A 90 6.101 -5.689 -4.216 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.821 -7.695 -5.533 1.00 0.00 C ATOM 0 H VAL A 90 6.408 -9.358 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 90 8.390 -7.338 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 90 5.416 -7.684 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.367 -5.464 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.721 -5.359 -3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.033 -5.168 -4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.079 -7.443 -6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.773 -7.229 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.946 -8.777 -5.493 1.00 0.00 H new ATOM 1481 N THR A 91 7.631 -5.419 -1.925 1.00 0.00 N ATOM 1482 CA THR A 91 7.462 -4.479 -0.824 1.00 0.00 C ATOM 1483 C THR A 91 6.376 -3.456 -1.137 1.00 0.00 C ATOM 1484 O THR A 91 6.140 -3.099 -2.291 1.00 0.00 O ATOM 1485 CB THR A 91 8.776 -3.737 -0.512 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.363 -3.250 -1.724 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.758 -4.654 0.201 1.00 0.00 C ATOM 0 H THR A 91 8.149 -5.047 -2.721 1.00 0.00 H new ATOM 0 HA THR A 91 7.167 -5.063 0.048 1.00 0.00 H new ATOM 0 HB THR A 91 8.547 -2.896 0.143 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.315 -3.070 -1.577 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.678 -4.109 0.411 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.319 -5.000 1.137 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.981 -5.512 -0.433 1.00 0.00 H new ATOM 1495 N PRO A 92 5.699 -2.970 -0.086 1.00 0.00 N ATOM 1496 CA PRO A 92 4.627 -1.980 -0.224 1.00 0.00 C ATOM 1497 C PRO A 92 5.153 -0.611 -0.642 1.00 0.00 C ATOM 1498 O PRO A 92 4.379 0.289 -0.969 1.00 0.00 O ATOM 1499 CB PRO A 92 4.022 -1.914 1.181 1.00 0.00 C ATOM 1500 CG PRO A 92 5.124 -2.339 2.088 1.00 0.00 C ATOM 1501 CD PRO A 92 5.928 -3.350 1.318 1.00 0.00 C ATOM 0 HA PRO A 92 3.912 -2.259 -0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.681 -0.906 1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.158 -2.573 1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.741 -1.488 2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.728 -2.773 3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.985 -3.306 1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.593 -4.367 1.519 1.00 0.00 H new ATOM 1509 N ASP A 93 6.473 -0.460 -0.629 1.00 0.00 N ATOM 1510 CA ASP A 93 7.103 0.799 -1.009 1.00 0.00 C ATOM 1511 C ASP A 93 7.591 0.749 -2.453 1.00 0.00 C ATOM 1512 O ASP A 93 7.398 1.694 -3.218 1.00 0.00 O ATOM 1513 CB ASP A 93 8.271 1.112 -0.073 1.00 0.00 C ATOM 1514 CG ASP A 93 9.119 -0.110 0.224 1.00 0.00 C ATOM 1515 OD1 ASP A 93 10.048 -0.393 -0.561 1.00 0.00 O ATOM 1516 OD2 ASP A 93 8.853 -0.782 1.242 1.00 0.00 O ATOM 0 H ASP A 93 7.128 -1.194 -0.359 1.00 0.00 H new ATOM 0 HA ASP A 93 6.358 1.590 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.896 1.884 -0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.885 1.519 0.862 1.00 0.00 H new ATOM 1521 N HIS A 94 8.226 -0.360 -2.820 1.00 0.00 N ATOM 1522 CA HIS A 94 8.743 -0.534 -4.173 1.00 0.00 C ATOM 1523 C HIS A 94 7.603 -0.705 -5.172 1.00 0.00 C ATOM 1524 O HIS A 94 7.679 -0.226 -6.304 1.00 0.00 O ATOM 1525 CB HIS A 94 9.677 -1.743 -4.233 1.00 0.00 C ATOM 1526 CG HIS A 94 10.590 -1.736 -5.420 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.687 -0.907 -5.521 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.565 -2.465 -6.561 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.297 -1.124 -6.673 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.636 -2.066 -7.322 1.00 0.00 N ATOM 0 H HIS A 94 8.395 -1.152 -2.199 1.00 0.00 H new ATOM 0 HA HIS A 94 9.304 0.362 -4.440 1.00 0.00 H new ATOM 0 HB2 HIS A 94 10.277 -1.774 -3.324 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.078 -2.654 -4.251 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.838 -3.220 -6.823 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.184 -0.618 -7.024 1.00 0.00 H new ATOM 0 HE2 HIS A 94 11.882 -2.437 -8.240 1.00 0.00 H new ATOM 1539 N LEU A 95 6.549 -1.392 -4.747 1.00 0.00 N ATOM 1540 CA LEU A 95 5.393 -1.628 -5.605 1.00 0.00 C ATOM 1541 C LEU A 95 5.105 -0.411 -6.478 1.00 0.00 C ATOM 1542 O LEU A 95 4.772 -0.544 -7.656 1.00 0.00 O ATOM 1543 CB LEU A 95 4.164 -1.964 -4.757 1.00 0.00 C ATOM 1544 CG LEU A 95 3.046 -2.727 -5.469 1.00 0.00 C ATOM 1545 CD1 LEU A 95 2.244 -3.550 -4.473 1.00 0.00 C ATOM 1546 CD2 LEU A 95 2.139 -1.765 -6.222 1.00 0.00 C ATOM 0 H LEU A 95 6.471 -1.796 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 95 5.621 -2.473 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.489 -2.552 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.751 -1.034 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 95 3.499 -3.407 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.453 -4.086 -4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.902 -4.265 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.802 -2.889 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.349 -2.326 -6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.694 -1.060 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.723 -1.220 -6.964 1.00 0.00 H new ATOM 1558 N ILE A 96 5.237 0.775 -5.892 1.00 0.00 N ATOM 1559 CA ILE A 96 4.995 2.015 -6.618 1.00 0.00 C ATOM 1560 C ILE A 96 6.079 2.263 -7.661 1.00 0.00 C ATOM 1561 O ILE A 96 5.784 2.551 -8.822 1.00 0.00 O ATOM 1562 CB ILE A 96 4.931 3.223 -5.664 1.00 0.00 C ATOM 1563 CG1 ILE A 96 3.999 2.922 -4.488 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.467 4.464 -6.410 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.220 3.827 -3.296 1.00 0.00 C ATOM 0 H ILE A 96 5.510 0.903 -4.918 1.00 0.00 H new ATOM 0 HA ILE A 96 4.032 1.905 -7.117 1.00 0.00 H new ATOM 0 HB ILE A 96 5.931 3.412 -5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.965 3.018 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.140 1.886 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.427 5.308 -5.722 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.165 4.686 -7.217 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.475 4.288 -6.827 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.526 3.557 -2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.243 3.714 -2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.051 4.863 -3.589 1.00 0.00 H new ATOM 1577 N ARG A 97 7.334 2.147 -7.241 1.00 0.00 N ATOM 1578 CA ARG A 97 8.463 2.358 -8.139 1.00 0.00 C ATOM 1579 C ARG A 97 8.385 1.419 -9.340 1.00 0.00 C ATOM 1580 O ARG A 97 8.978 1.683 -10.385 1.00 0.00 O ATOM 1581 CB ARG A 97 9.782 2.143 -7.395 1.00 0.00 C ATOM 1582 CG ARG A 97 10.081 3.218 -6.363 1.00 0.00 C ATOM 1583 CD ARG A 97 11.504 3.106 -5.838 1.00 0.00 C ATOM 1584 NE ARG A 97 11.591 2.228 -4.675 1.00 0.00 N ATOM 1585 CZ ARG A 97 12.687 2.092 -3.936 1.00 0.00 C ATOM 1586 NH1 ARG A 97 13.782 2.774 -4.239 1.00 0.00 N ATOM 1587 NH2 ARG A 97 12.687 1.272 -2.892 1.00 0.00 N ATOM 0 H ARG A 97 7.595 1.908 -6.284 1.00 0.00 H new ATOM 0 HA ARG A 97 8.421 3.386 -8.499 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.756 1.173 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.596 2.109 -8.119 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.932 4.202 -6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.378 3.133 -5.534 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.153 2.727 -6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.871 4.097 -5.572 1.00 0.00 H new ATOM 0 HE ARG A 97 10.765 1.689 -4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.785 3.405 -5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.622 2.668 -3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.845 0.746 -2.657 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.529 1.168 -2.325 1.00 0.00 H new ATOM 1601 N MET A 98 7.651 0.323 -9.180 1.00 0.00 N ATOM 1602 CA MET A 98 7.496 -0.654 -10.251 1.00 0.00 C ATOM 1603 C MET A 98 6.760 -0.045 -11.441 1.00 0.00 C ATOM 1604 O MET A 98 6.125 1.002 -11.319 1.00 0.00 O ATOM 1605 CB MET A 98 6.739 -1.883 -9.743 1.00 0.00 C ATOM 1606 CG MET A 98 7.385 -2.538 -8.534 1.00 0.00 C ATOM 1607 SD MET A 98 6.678 -4.153 -8.157 1.00 0.00 S ATOM 1608 CE MET A 98 7.873 -5.236 -8.936 1.00 0.00 C ATOM 0 H MET A 98 7.155 0.089 -8.320 1.00 0.00 H new ATOM 0 HA MET A 98 8.490 -0.958 -10.578 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.720 -1.592 -9.487 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.669 -2.615 -10.548 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.455 -2.647 -8.713 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.272 -1.885 -7.668 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.573 -6.274 -8.789 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.919 -5.019 -10.003 1.00 0.00 H new ATOM 0 HE3 MET A 98 8.855 -5.075 -8.490 1.00 0.00 H new ATOM 1618 N SER A 99 6.850 -0.708 -12.589 1.00 0.00 N ATOM 1619 CA SER A 99 6.196 -0.229 -13.801 1.00 0.00 C ATOM 1620 C SER A 99 4.878 -0.963 -14.034 1.00 0.00 C ATOM 1621 O SER A 99 4.644 -2.052 -13.511 1.00 0.00 O ATOM 1622 CB SER A 99 7.116 -0.415 -15.010 1.00 0.00 C ATOM 1623 OG SER A 99 7.932 0.726 -15.209 1.00 0.00 O ATOM 0 H SER A 99 7.369 -1.578 -12.705 1.00 0.00 H new ATOM 0 HA SER A 99 5.984 0.833 -13.674 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.744 -1.294 -14.862 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.517 -0.598 -15.902 1.00 0.00 H new ATOM 0 HG SER A 99 8.512 0.582 -15.986 1.00 0.00 H new ATOM 1629 N PRO A 100 3.996 -0.352 -14.838 1.00 0.00 N ATOM 1630 CA PRO A 100 2.687 -0.928 -15.160 1.00 0.00 C ATOM 1631 C PRO A 100 2.799 -2.158 -16.054 1.00 0.00 C ATOM 1632 O PRO A 100 1.791 -2.754 -16.432 1.00 0.00 O ATOM 1633 CB PRO A 100 1.972 0.207 -15.897 1.00 0.00 C ATOM 1634 CG PRO A 100 3.068 1.035 -16.473 1.00 0.00 C ATOM 1635 CD PRO A 100 4.208 0.948 -15.496 1.00 0.00 C ATOM 0 HA PRO A 100 2.162 -1.272 -14.269 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.316 -0.179 -16.677 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.350 0.790 -15.218 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.365 0.663 -17.453 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.747 2.068 -16.608 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.173 0.990 -16.000 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.187 1.769 -14.779 1.00 0.00 H new ATOM 1643 N GLU A 101 4.030 -2.531 -16.388 1.00 0.00 N ATOM 1644 CA GLU A 101 4.272 -3.691 -17.238 1.00 0.00 C ATOM 1645 C GLU A 101 4.850 -4.848 -16.429 1.00 0.00 C ATOM 1646 O GLU A 101 4.581 -6.014 -16.716 1.00 0.00 O ATOM 1647 CB GLU A 101 5.224 -3.325 -18.378 1.00 0.00 C ATOM 1648 CG GLU A 101 5.577 -4.499 -19.277 1.00 0.00 C ATOM 1649 CD GLU A 101 6.872 -4.283 -20.036 1.00 0.00 C ATOM 1650 OE1 GLU A 101 6.903 -3.394 -20.913 1.00 0.00 O ATOM 1651 OE2 GLU A 101 7.852 -5.003 -19.755 1.00 0.00 O ATOM 0 H GLU A 101 4.875 -2.047 -16.083 1.00 0.00 H new ATOM 0 HA GLU A 101 3.317 -4.007 -17.659 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.769 -2.540 -18.982 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.141 -2.913 -17.956 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.661 -5.402 -18.673 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.767 -4.664 -19.987 1.00 0.00 H new ATOM 1658 N GLU A 102 5.645 -4.516 -15.417 1.00 0.00 N ATOM 1659 CA GLU A 102 6.263 -5.528 -14.568 1.00 0.00 C ATOM 1660 C GLU A 102 5.266 -6.058 -13.541 1.00 0.00 C ATOM 1661 O GLU A 102 5.208 -7.260 -13.279 1.00 0.00 O ATOM 1662 CB GLU A 102 7.486 -4.949 -13.854 1.00 0.00 C ATOM 1663 CG GLU A 102 8.720 -4.860 -14.737 1.00 0.00 C ATOM 1664 CD GLU A 102 9.006 -6.156 -15.471 1.00 0.00 C ATOM 1665 OE1 GLU A 102 9.608 -7.064 -14.862 1.00 0.00 O ATOM 1666 OE2 GLU A 102 8.626 -6.261 -16.657 1.00 0.00 O ATOM 0 H GLU A 102 5.876 -3.555 -15.165 1.00 0.00 H new ATOM 0 HA GLU A 102 6.580 -6.355 -15.204 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.242 -3.953 -13.483 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.715 -5.566 -12.985 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.586 -4.058 -15.463 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.582 -4.595 -14.125 1.00 0.00 H new ATOM 1673 N LEU A 103 4.483 -5.154 -12.963 1.00 0.00 N ATOM 1674 CA LEU A 103 3.488 -5.529 -11.965 1.00 0.00 C ATOM 1675 C LEU A 103 2.777 -6.819 -12.363 1.00 0.00 C ATOM 1676 O LEU A 103 2.535 -7.689 -11.527 1.00 0.00 O ATOM 1677 CB LEU A 103 2.467 -4.405 -11.786 1.00 0.00 C ATOM 1678 CG LEU A 103 2.988 -3.123 -11.133 1.00 0.00 C ATOM 1679 CD1 LEU A 103 2.178 -1.922 -11.596 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.949 -3.243 -9.617 1.00 0.00 C ATOM 0 H LEU A 103 4.518 -4.156 -13.169 1.00 0.00 H new ATOM 0 HA LEU A 103 4.004 -5.697 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.060 -4.151 -12.765 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.640 -4.785 -11.186 1.00 0.00 H new ATOM 0 HG LEU A 103 4.024 -2.977 -11.439 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.562 -1.019 -11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.258 -1.825 -12.679 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.133 -2.060 -11.320 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.323 -2.322 -9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.923 -3.414 -9.292 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.573 -4.079 -9.302 1.00 0.00 H new ATOM 1692 N ALA A 104 2.447 -6.935 -13.645 1.00 0.00 N ATOM 1693 CA ALA A 104 1.768 -8.119 -14.155 1.00 0.00 C ATOM 1694 C ALA A 104 2.766 -9.219 -14.499 1.00 0.00 C ATOM 1695 O ALA A 104 2.519 -10.397 -14.243 1.00 0.00 O ATOM 1696 CB ALA A 104 0.930 -7.764 -15.374 1.00 0.00 C ATOM 0 H ALA A 104 2.639 -6.223 -14.349 1.00 0.00 H new ATOM 0 HA ALA A 104 1.109 -8.494 -13.372 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.429 -8.658 -15.744 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.185 -7.018 -15.098 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.575 -7.361 -16.154 1.00 0.00 H new ATOM 1702 N SER A 105 3.894 -8.827 -15.083 1.00 0.00 N ATOM 1703 CA SER A 105 4.928 -9.780 -15.466 1.00 0.00 C ATOM 1704 C SER A 105 5.002 -10.932 -14.469 1.00 0.00 C ATOM 1705 O SER A 105 4.821 -10.741 -13.266 1.00 0.00 O ATOM 1706 CB SER A 105 6.287 -9.083 -15.558 1.00 0.00 C ATOM 1707 OG SER A 105 6.356 -8.248 -16.701 1.00 0.00 O ATOM 0 H SER A 105 4.115 -7.855 -15.301 1.00 0.00 H new ATOM 0 HA SER A 105 4.668 -10.185 -16.444 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.456 -8.490 -14.660 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.080 -9.830 -15.601 1.00 0.00 H new ATOM 0 HG SER A 105 5.637 -7.583 -16.664 1.00 0.00 H new ATOM 1713 N LYS A 106 5.269 -12.131 -14.977 1.00 0.00 N ATOM 1714 CA LYS A 106 5.368 -13.316 -14.134 1.00 0.00 C ATOM 1715 C LYS A 106 6.807 -13.819 -14.069 1.00 0.00 C ATOM 1716 O LYS A 106 7.088 -14.967 -14.409 1.00 0.00 O ATOM 1717 CB LYS A 106 4.453 -14.422 -14.663 1.00 0.00 C ATOM 1718 CG LYS A 106 3.938 -15.355 -13.581 1.00 0.00 C ATOM 1719 CD LYS A 106 3.017 -16.419 -14.154 1.00 0.00 C ATOM 1720 CE LYS A 106 3.791 -17.450 -14.961 1.00 0.00 C ATOM 1721 NZ LYS A 106 2.905 -18.530 -15.476 1.00 0.00 N ATOM 0 H LYS A 106 5.421 -12.307 -15.970 1.00 0.00 H new ATOM 0 HA LYS A 106 5.052 -13.042 -13.127 1.00 0.00 H new ATOM 0 HB2 LYS A 106 3.604 -13.967 -15.173 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.995 -15.006 -15.407 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.780 -15.833 -13.080 1.00 0.00 H new ATOM 0 HG3 LYS A 106 3.404 -14.778 -12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.484 -16.915 -13.343 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.266 -15.948 -14.788 1.00 0.00 H new ATOM 0 HE2 LYS A 106 4.288 -16.958 -15.797 1.00 0.00 H new ATOM 0 HE3 LYS A 106 4.572 -17.887 -14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 3.470 -19.213 -16.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.450 -19.016 -14.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.175 -18.117 -16.091 1.00 0.00 H new ATOM 1735 N GLU A 107 7.713 -12.951 -13.630 1.00 0.00 N ATOM 1736 CA GLU A 107 9.123 -13.309 -13.520 1.00 0.00 C ATOM 1737 C GLU A 107 9.468 -13.730 -12.095 1.00 0.00 C ATOM 1738 O GLU A 107 9.627 -12.890 -11.208 1.00 0.00 O ATOM 1739 CB GLU A 107 10.005 -12.133 -13.944 1.00 0.00 C ATOM 1740 CG GLU A 107 9.918 -11.811 -15.427 1.00 0.00 C ATOM 1741 CD GLU A 107 10.490 -12.912 -16.298 1.00 0.00 C ATOM 1742 OE1 GLU A 107 11.587 -13.415 -15.974 1.00 0.00 O ATOM 1743 OE2 GLU A 107 9.842 -13.271 -17.303 1.00 0.00 O ATOM 0 H GLU A 107 7.496 -11.996 -13.345 1.00 0.00 H new ATOM 0 HA GLU A 107 9.310 -14.152 -14.185 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.719 -11.250 -13.372 1.00 0.00 H new ATOM 0 HB3 GLU A 107 11.041 -12.356 -13.689 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.876 -11.643 -15.698 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.452 -10.882 -15.625 1.00 0.00 H new ATOM 1750 N LEU A 108 9.582 -15.036 -11.881 1.00 0.00 N ATOM 1751 CA LEU A 108 9.908 -15.571 -10.564 1.00 0.00 C ATOM 1752 C LEU A 108 11.406 -15.471 -10.291 1.00 0.00 C ATOM 1753 O LEU A 108 11.825 -14.970 -9.249 1.00 0.00 O ATOM 1754 CB LEU A 108 9.454 -17.027 -10.456 1.00 0.00 C ATOM 1755 CG LEU A 108 7.982 -17.247 -10.104 1.00 0.00 C ATOM 1756 CD1 LEU A 108 7.779 -17.186 -8.598 1.00 0.00 C ATOM 1757 CD2 LEU A 108 7.107 -16.218 -10.804 1.00 0.00 C ATOM 0 H LEU A 108 9.453 -15.745 -12.603 1.00 0.00 H new ATOM 0 HA LEU A 108 9.381 -14.977 -9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.658 -17.521 -11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.065 -17.522 -9.701 1.00 0.00 H new ATOM 0 HG LEU A 108 7.689 -18.238 -10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.726 -17.345 -8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.377 -17.961 -8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.089 -16.208 -8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.063 -16.390 -10.542 1.00 0.00 H new ATOM 0 HD22 LEU A 108 7.400 -15.217 -10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.230 -16.310 -11.883 1.00 0.00 H new ATOM 1769 N ALA A 109 12.207 -15.951 -11.237 1.00 0.00 N ATOM 1770 CA ALA A 109 13.658 -15.913 -11.101 1.00 0.00 C ATOM 1771 C ALA A 109 14.117 -14.593 -10.492 1.00 0.00 C ATOM 1772 O ALA A 109 15.077 -14.553 -9.723 1.00 0.00 O ATOM 1773 CB ALA A 109 14.321 -16.132 -12.452 1.00 0.00 C ATOM 0 H ALA A 109 11.876 -16.371 -12.106 1.00 0.00 H new ATOM 0 HA ALA A 109 13.956 -16.717 -10.428 1.00 0.00 H new ATOM 0 HB1 ALA A 109 15.404 -16.101 -12.335 1.00 0.00 H new ATOM 0 HB2 ALA A 109 14.026 -17.104 -12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 109 14.008 -15.348 -13.142 1.00 0.00 H new ATOM 1779 N ALA A 110 13.426 -13.513 -10.841 1.00 0.00 N ATOM 1780 CA ALA A 110 13.762 -12.191 -10.328 1.00 0.00 C ATOM 1781 C ALA A 110 13.994 -12.229 -8.821 1.00 0.00 C ATOM 1782 O ALA A 110 15.109 -12.010 -8.349 1.00 0.00 O ATOM 1783 CB ALA A 110 12.663 -11.196 -10.670 1.00 0.00 C ATOM 0 H ALA A 110 12.629 -13.528 -11.478 1.00 0.00 H new ATOM 0 HA ALA A 110 14.688 -11.869 -10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 110 12.928 -10.213 -10.280 1.00 0.00 H new ATOM 0 HB2 ALA A 110 12.548 -11.138 -11.752 1.00 0.00 H new ATOM 0 HB3 ALA A 110 11.724 -11.523 -10.223 1.00 0.00 H new ATOM 1789 N TRP A 111 12.933 -12.508 -8.072 1.00 0.00 N ATOM 1790 CA TRP A 111 13.022 -12.575 -6.617 1.00 0.00 C ATOM 1791 C TRP A 111 14.061 -13.601 -6.181 1.00 0.00 C ATOM 1792 O TRP A 111 14.265 -14.614 -6.851 1.00 0.00 O ATOM 1793 CB TRP A 111 11.659 -12.925 -6.019 1.00 0.00 C ATOM 1794 CG TRP A 111 10.523 -12.178 -6.650 1.00 0.00 C ATOM 1795 CD1 TRP A 111 9.346 -12.705 -7.101 1.00 0.00 C ATOM 1796 CD2 TRP A 111 10.458 -10.771 -6.903 1.00 0.00 C ATOM 1797 NE1 TRP A 111 8.553 -11.709 -7.618 1.00 0.00 N ATOM 1798 CE2 TRP A 111 9.212 -10.513 -7.508 1.00 0.00 C ATOM 1799 CE3 TRP A 111 11.330 -9.703 -6.676 1.00 0.00 C ATOM 1800 CZ2 TRP A 111 8.820 -9.232 -7.888 1.00 0.00 C ATOM 1801 CZ3 TRP A 111 10.939 -8.432 -7.054 1.00 0.00 C ATOM 1802 CH2 TRP A 111 9.693 -8.205 -7.654 1.00 0.00 C ATOM 0 H TRP A 111 12.002 -12.691 -8.447 1.00 0.00 H new ATOM 0 HA TRP A 111 13.331 -11.596 -6.251 1.00 0.00 H new ATOM 0 HB2 TRP A 111 11.486 -13.996 -6.129 1.00 0.00 H new ATOM 0 HB3 TRP A 111 11.674 -12.713 -4.950 1.00 0.00 H new ATOM 0 HD1 TRP A 111 9.078 -13.750 -7.058 1.00 0.00 H new ATOM 0 HE1 TRP A 111 7.624 -11.839 -8.019 1.00 0.00 H new ATOM 0 HE3 TRP A 111 12.292 -9.867 -6.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 7.860 -9.055 -8.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 11.605 -7.599 -6.884 1.00 0.00 H new ATOM 0 HH2 TRP A 111 9.417 -7.200 -7.937 1.00 0.00 H new ATOM 1813 N ARG A 112 14.715 -13.334 -5.056 1.00 0.00 N ATOM 1814 CA ARG A 112 15.734 -14.235 -4.532 1.00 0.00 C ATOM 1815 C ARG A 112 15.109 -15.301 -3.637 1.00 0.00 C ATOM 1816 O ARG A 112 15.565 -15.531 -2.517 1.00 0.00 O ATOM 1817 CB ARG A 112 16.786 -13.449 -3.747 1.00 0.00 C ATOM 1818 CG ARG A 112 18.101 -14.192 -3.578 1.00 0.00 C ATOM 1819 CD ARG A 112 18.950 -13.578 -2.475 1.00 0.00 C ATOM 1820 NE ARG A 112 19.836 -12.535 -2.983 1.00 0.00 N ATOM 1821 CZ ARG A 112 19.457 -11.276 -3.173 1.00 0.00 C ATOM 1822 NH1 ARG A 112 18.214 -10.906 -2.897 1.00 0.00 N ATOM 1823 NH2 ARG A 112 20.322 -10.384 -3.638 1.00 0.00 N ATOM 0 H ARG A 112 14.557 -12.501 -4.489 1.00 0.00 H new ATOM 0 HA ARG A 112 16.214 -14.729 -5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 112 16.975 -12.504 -4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.386 -13.207 -2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.902 -15.238 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 112 18.654 -14.174 -4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 112 18.299 -13.159 -1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 112 19.544 -14.358 -1.998 1.00 0.00 H new ATOM 0 HE ARG A 112 20.799 -12.787 -3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 112 17.547 -11.589 -2.538 1.00 0.00 H new ATOM 0 HH12 ARG A 112 17.925 -9.939 -3.044 1.00 0.00 H new ATOM 0 HH21 ARG A 112 21.279 -10.665 -3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 112 20.030 -9.418 -3.783 1.00 0.00 H new ATOM 1837 N ARG A 113 14.064 -15.949 -4.140 1.00 0.00 N ATOM 1838 CA ARG A 113 13.375 -16.990 -3.386 1.00 0.00 C ATOM 1839 C ARG A 113 12.848 -18.078 -4.317 1.00 0.00 C ATOM 1840 O ARG A 113 12.418 -17.796 -5.435 1.00 0.00 O ATOM 1841 CB ARG A 113 12.221 -16.388 -2.582 1.00 0.00 C ATOM 1842 CG ARG A 113 12.663 -15.349 -1.565 1.00 0.00 C ATOM 1843 CD ARG A 113 13.246 -16.000 -0.321 1.00 0.00 C ATOM 1844 NE ARG A 113 13.074 -15.165 0.865 1.00 0.00 N ATOM 1845 CZ ARG A 113 11.897 -14.929 1.434 1.00 0.00 C ATOM 1846 NH1 ARG A 113 10.794 -15.463 0.927 1.00 0.00 N ATOM 1847 NH2 ARG A 113 11.821 -14.158 2.511 1.00 0.00 N ATOM 0 H ARG A 113 13.676 -15.772 -5.066 1.00 0.00 H new ATOM 0 HA ARG A 113 14.091 -17.440 -2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 113 11.510 -15.931 -3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.694 -17.189 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 113 13.406 -14.691 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 113 11.813 -14.726 -1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.766 -16.965 -0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.307 -16.194 -0.477 1.00 0.00 H new ATOM 0 HE ARG A 113 13.903 -14.740 1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 113 10.849 -16.056 0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 113 9.891 -15.281 1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 113 12.667 -13.745 2.903 1.00 0.00 H new ATOM 0 HH22 ARG A 113 10.916 -13.978 2.946 1.00 0.00 H new ATOM 1861 N ARG A 114 12.885 -19.321 -3.847 1.00 0.00 N ATOM 1862 CA ARG A 114 12.413 -20.451 -4.638 1.00 0.00 C ATOM 1863 C ARG A 114 11.391 -21.272 -3.858 1.00 0.00 C ATOM 1864 O ARG A 114 11.353 -21.227 -2.628 1.00 0.00 O ATOM 1865 CB ARG A 114 13.589 -21.338 -5.051 1.00 0.00 C ATOM 1866 CG ARG A 114 14.263 -20.897 -6.339 1.00 0.00 C ATOM 1867 CD ARG A 114 15.203 -21.967 -6.872 1.00 0.00 C ATOM 1868 NE ARG A 114 15.668 -21.665 -8.223 1.00 0.00 N ATOM 1869 CZ ARG A 114 16.484 -22.453 -8.913 1.00 0.00 C ATOM 1870 NH1 ARG A 114 16.923 -23.586 -8.382 1.00 0.00 N ATOM 1871 NH2 ARG A 114 16.863 -22.109 -10.137 1.00 0.00 N ATOM 0 H ARG A 114 13.237 -19.571 -2.923 1.00 0.00 H new ATOM 0 HA ARG A 114 11.930 -20.059 -5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 114 14.327 -21.345 -4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.236 -22.363 -5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 114 13.505 -20.671 -7.089 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.820 -19.977 -6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 114 16.061 -22.060 -6.206 1.00 0.00 H new ATOM 0 HD3 ARG A 114 14.693 -22.930 -6.871 1.00 0.00 H new ATOM 0 HE ARG A 114 15.348 -20.801 -8.661 1.00 0.00 H new ATOM 0 HH11 ARG A 114 16.634 -23.854 -7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 114 17.550 -24.190 -8.914 1.00 0.00 H new ATOM 0 HH21 ARG A 114 16.527 -21.238 -10.549 1.00 0.00 H new ATOM 0 HH22 ARG A 114 17.490 -22.715 -10.666 1.00 0.00 H new ATOM 1885 N SER A 115 10.564 -22.020 -4.581 1.00 0.00 N ATOM 1886 CA SER A 115 9.539 -22.848 -3.956 1.00 0.00 C ATOM 1887 C SER A 115 10.149 -24.116 -3.366 1.00 0.00 C ATOM 1888 O SER A 115 10.059 -24.360 -2.164 1.00 0.00 O ATOM 1889 CB SER A 115 8.459 -23.215 -4.976 1.00 0.00 C ATOM 1890 OG SER A 115 7.299 -23.713 -4.333 1.00 0.00 O ATOM 0 H SER A 115 10.584 -22.070 -5.600 1.00 0.00 H new ATOM 0 HA SER A 115 9.086 -22.274 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 115 8.201 -22.338 -5.569 1.00 0.00 H new ATOM 0 HB3 SER A 115 8.846 -23.964 -5.666 1.00 0.00 H new ATOM 0 HG SER A 115 6.623 -23.939 -5.006 1.00 0.00 H new ATOM 1896 N GLY A 116 10.771 -24.920 -4.223 1.00 0.00 N ATOM 1897 CA GLY A 116 11.387 -26.153 -3.770 1.00 0.00 C ATOM 1898 C GLY A 116 11.296 -27.260 -4.802 1.00 0.00 C ATOM 1899 O GLY A 116 10.669 -27.111 -5.850 1.00 0.00 O ATOM 0 H GLY A 116 10.859 -24.739 -5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.434 -25.967 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.905 -26.479 -2.848 1.00 0.00 H new ATOM 1903 N PRO A 117 11.936 -28.402 -4.508 1.00 0.00 N ATOM 1904 CA PRO A 117 11.940 -29.561 -5.406 1.00 0.00 C ATOM 1905 C PRO A 117 10.574 -30.233 -5.492 1.00 0.00 C ATOM 1906 O PRO A 117 10.210 -31.033 -4.629 1.00 0.00 O ATOM 1907 CB PRO A 117 12.961 -30.503 -4.764 1.00 0.00 C ATOM 1908 CG PRO A 117 12.967 -30.130 -3.322 1.00 0.00 C ATOM 1909 CD PRO A 117 12.703 -28.650 -3.276 1.00 0.00 C ATOM 0 HA PRO A 117 12.183 -29.282 -6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 117 12.678 -31.547 -4.902 1.00 0.00 H new ATOM 0 HB3 PRO A 117 13.948 -30.379 -5.209 1.00 0.00 H new ATOM 0 HG2 PRO A 117 12.202 -30.680 -2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 117 13.925 -30.370 -2.861 1.00 0.00 H new ATOM 0 HD2 PRO A 117 12.137 -28.370 -2.387 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.630 -28.077 -3.257 1.00 0.00 H new ATOM 1917 N SER A 118 9.822 -29.904 -6.537 1.00 0.00 N ATOM 1918 CA SER A 118 8.494 -30.474 -6.733 1.00 0.00 C ATOM 1919 C SER A 118 8.026 -30.279 -8.172 1.00 0.00 C ATOM 1920 O SER A 118 8.686 -29.607 -8.965 1.00 0.00 O ATOM 1921 CB SER A 118 7.494 -29.834 -5.768 1.00 0.00 C ATOM 1922 OG SER A 118 7.730 -30.254 -4.436 1.00 0.00 O ATOM 0 H SER A 118 10.109 -29.246 -7.261 1.00 0.00 H new ATOM 0 HA SER A 118 8.551 -31.543 -6.530 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.569 -28.748 -5.829 1.00 0.00 H new ATOM 0 HB3 SER A 118 6.479 -30.100 -6.062 1.00 0.00 H new ATOM 0 HG SER A 118 8.469 -30.898 -4.422 1.00 0.00 H new ATOM 1928 N SER A 119 6.883 -30.871 -8.501 1.00 0.00 N ATOM 1929 CA SER A 119 6.327 -30.767 -9.846 1.00 0.00 C ATOM 1930 C SER A 119 4.807 -30.892 -9.816 1.00 0.00 C ATOM 1931 O SER A 119 4.266 -31.943 -9.475 1.00 0.00 O ATOM 1932 CB SER A 119 6.922 -31.847 -10.751 1.00 0.00 C ATOM 1933 OG SER A 119 6.235 -31.909 -11.989 1.00 0.00 O ATOM 0 H SER A 119 6.323 -31.428 -7.855 1.00 0.00 H new ATOM 0 HA SER A 119 6.585 -29.786 -10.245 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.977 -31.638 -10.927 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.868 -32.815 -10.252 1.00 0.00 H new ATOM 0 HG SER A 119 6.635 -32.606 -12.550 1.00 0.00 H new ATOM 1939 N GLY A 120 4.123 -29.810 -10.177 1.00 0.00 N ATOM 1940 CA GLY A 120 2.672 -29.818 -10.185 1.00 0.00 C ATOM 1941 C GLY A 120 2.103 -30.393 -11.468 1.00 0.00 C ATOM 1942 O GLY A 120 1.143 -29.858 -12.022 1.00 0.00 O ATOM 0 H GLY A 120 4.548 -28.928 -10.464 1.00 0.00 H new ATOM 0 HA2 GLY A 120 2.310 -30.400 -9.338 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.305 -28.800 -10.052 1.00 0.00 H new TER 1946 GLY A 120