USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 882 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN : amide:sc= -0.0123 K(o=0.62,f=-2.9) USER MOD Set 1.2: A 79 SER OG : rot -62:sc= 0.627 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 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 145:sc= 0 (180deg=-0.0441) USER MOD Single : A 9 SER OG : rot 40:sc= 0.704 USER MOD Single : A 10 GLN : amide:sc= -1.07 K(o=-1.1,f=-1.9!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 21 SER OG : rot -137:sc= -0.279 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.61 K(o=-1.6,f=-5.4!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0943 USER MOD Single : A 47 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.4!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -28:sc= -9.44! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.543 K(o=0.54,f=-3.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 72 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.429) USER MOD Single : A 73 GLN : amide:sc= -3.05! C(o=-3.1!,f=-8.8!) USER MOD Single : A 77 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.0087) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.138 K(o=-0.14,f=-2.4!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0451 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.611 -17.054 8.239 1.00 0.00 N ATOM 2 CA GLY A 1 -34.961 -18.082 7.445 1.00 0.00 C ATOM 3 C GLY A 1 -34.477 -17.518 6.107 1.00 0.00 C ATOM 4 O GLY A 1 -33.592 -16.664 6.073 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.930 -17.462 9.141 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.939 -16.283 8.426 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.431 -16.680 7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.116 -18.493 7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.656 -18.903 7.268 1.00 0.00 H new ATOM 8 N SER A 2 -35.079 -18.018 5.038 1.00 0.00 N ATOM 9 CA SER A 2 -34.721 -17.575 3.702 1.00 0.00 C ATOM 10 C SER A 2 -33.257 -17.911 3.413 1.00 0.00 C ATOM 11 O SER A 2 -32.492 -18.208 4.330 1.00 0.00 O ATOM 12 CB SER A 2 -34.963 -16.073 3.537 1.00 0.00 C ATOM 13 OG SER A 2 -36.314 -15.716 3.816 1.00 0.00 O ATOM 0 H SER A 2 -35.813 -18.726 5.070 1.00 0.00 H new ATOM 0 HA SER A 2 -35.355 -18.099 2.987 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.298 -15.523 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.712 -15.775 2.519 1.00 0.00 H new ATOM 0 HG SER A 2 -36.427 -14.749 3.701 1.00 0.00 H new ATOM 19 N SER A 3 -32.910 -17.855 2.136 1.00 0.00 N ATOM 20 CA SER A 3 -31.551 -18.150 1.715 1.00 0.00 C ATOM 21 C SER A 3 -31.151 -17.233 0.558 1.00 0.00 C ATOM 22 O SER A 3 -30.197 -16.465 0.671 1.00 0.00 O ATOM 23 CB SER A 3 -31.408 -19.617 1.305 1.00 0.00 C ATOM 24 OG SER A 3 -30.050 -19.973 1.060 1.00 0.00 O ATOM 0 H SER A 3 -33.547 -17.609 1.378 1.00 0.00 H new ATOM 0 HA SER A 3 -30.885 -17.970 2.559 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.814 -20.254 2.091 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.999 -19.802 0.408 1.00 0.00 H new ATOM 0 HG SER A 3 -30.001 -20.917 0.803 1.00 0.00 H new ATOM 30 N GLY A 4 -31.900 -17.345 -0.530 1.00 0.00 N ATOM 31 CA GLY A 4 -31.635 -16.536 -1.707 1.00 0.00 C ATOM 32 C GLY A 4 -30.509 -17.143 -2.548 1.00 0.00 C ATOM 33 O GLY A 4 -29.774 -18.008 -2.075 1.00 0.00 O ATOM 0 H GLY A 4 -32.690 -17.984 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.540 -16.456 -2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.363 -15.525 -1.404 1.00 0.00 H new ATOM 37 N SER A 5 -30.411 -16.665 -3.780 1.00 0.00 N ATOM 38 CA SER A 5 -29.388 -17.149 -4.690 1.00 0.00 C ATOM 39 C SER A 5 -28.032 -17.190 -3.982 1.00 0.00 C ATOM 40 O SER A 5 -27.838 -16.520 -2.968 1.00 0.00 O ATOM 41 CB SER A 5 -29.306 -16.274 -5.943 1.00 0.00 C ATOM 42 OG SER A 5 -29.084 -17.046 -7.120 1.00 0.00 O ATOM 0 H SER A 5 -31.023 -15.948 -4.169 1.00 0.00 H new ATOM 0 HA SER A 5 -29.658 -18.158 -5.001 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.231 -15.707 -6.050 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.500 -15.550 -5.827 1.00 0.00 H new ATOM 0 HG SER A 5 -29.040 -16.451 -7.898 1.00 0.00 H new ATOM 48 N SER A 6 -27.130 -17.981 -4.543 1.00 0.00 N ATOM 49 CA SER A 6 -25.799 -18.118 -3.977 1.00 0.00 C ATOM 50 C SER A 6 -24.765 -17.494 -4.916 1.00 0.00 C ATOM 51 O SER A 6 -24.035 -16.584 -4.525 1.00 0.00 O ATOM 52 CB SER A 6 -25.459 -19.586 -3.715 1.00 0.00 C ATOM 53 OG SER A 6 -24.080 -19.769 -3.407 1.00 0.00 O ATOM 0 H SER A 6 -27.295 -18.534 -5.384 1.00 0.00 H new ATOM 0 HA SER A 6 -25.778 -17.593 -3.022 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.067 -19.957 -2.890 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.716 -20.180 -4.592 1.00 0.00 H new ATOM 0 HG SER A 6 -23.904 -20.719 -3.245 1.00 0.00 H new ATOM 59 N GLY A 7 -24.735 -18.007 -6.137 1.00 0.00 N ATOM 60 CA GLY A 7 -23.802 -17.512 -7.135 1.00 0.00 C ATOM 61 C GLY A 7 -23.375 -18.629 -8.089 1.00 0.00 C ATOM 62 O GLY A 7 -23.950 -19.716 -8.075 1.00 0.00 O ATOM 0 H GLY A 7 -25.342 -18.761 -6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.264 -16.703 -7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.924 -17.095 -6.642 1.00 0.00 H new ATOM 66 N MET A 8 -22.369 -18.323 -8.894 1.00 0.00 N ATOM 67 CA MET A 8 -21.857 -19.288 -9.853 1.00 0.00 C ATOM 68 C MET A 8 -20.332 -19.385 -9.772 1.00 0.00 C ATOM 69 O MET A 8 -19.786 -20.469 -9.573 1.00 0.00 O ATOM 70 CB MET A 8 -22.268 -18.871 -11.266 1.00 0.00 C ATOM 71 CG MET A 8 -23.568 -19.560 -11.685 1.00 0.00 C ATOM 72 SD MET A 8 -23.217 -21.189 -12.325 1.00 0.00 S ATOM 73 CE MET A 8 -22.749 -20.771 -13.996 1.00 0.00 C ATOM 0 H MET A 8 -21.894 -17.420 -8.902 1.00 0.00 H new ATOM 0 HA MET A 8 -22.278 -20.265 -9.617 1.00 0.00 H new ATOM 0 HB2 MET A 8 -22.396 -17.789 -11.307 1.00 0.00 H new ATOM 0 HB3 MET A 8 -21.475 -19.125 -11.969 1.00 0.00 H new ATOM 0 HG2 MET A 8 -24.242 -19.633 -10.831 1.00 0.00 H new ATOM 0 HG3 MET A 8 -24.077 -18.964 -12.443 1.00 0.00 H new ATOM 0 HE1 MET A 8 -21.963 -21.447 -14.333 1.00 0.00 H new ATOM 0 HE2 MET A 8 -23.615 -20.866 -14.651 1.00 0.00 H new ATOM 0 HE3 MET A 8 -22.383 -19.745 -14.025 1.00 0.00 H new ATOM 83 N SER A 9 -19.689 -18.238 -9.931 1.00 0.00 N ATOM 84 CA SER A 9 -18.238 -18.180 -9.879 1.00 0.00 C ATOM 85 C SER A 9 -17.782 -17.717 -8.494 1.00 0.00 C ATOM 86 O SER A 9 -17.824 -16.526 -8.189 1.00 0.00 O ATOM 87 CB SER A 9 -17.685 -17.249 -10.960 1.00 0.00 C ATOM 88 OG SER A 9 -18.176 -15.919 -10.820 1.00 0.00 O ATOM 0 H SER A 9 -20.146 -17.341 -10.096 1.00 0.00 H new ATOM 0 HA SER A 9 -17.849 -19.181 -10.066 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.596 -17.241 -10.909 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.956 -17.634 -11.943 1.00 0.00 H new ATOM 0 HG SER A 9 -18.205 -15.679 -9.870 1.00 0.00 H new ATOM 94 N GLN A 10 -17.357 -18.682 -7.693 1.00 0.00 N ATOM 95 CA GLN A 10 -16.893 -18.388 -6.347 1.00 0.00 C ATOM 96 C GLN A 10 -15.942 -19.483 -5.862 1.00 0.00 C ATOM 97 O GLN A 10 -16.374 -20.466 -5.262 1.00 0.00 O ATOM 98 CB GLN A 10 -18.072 -18.220 -5.386 1.00 0.00 C ATOM 99 CG GLN A 10 -18.203 -16.767 -4.928 1.00 0.00 C ATOM 100 CD GLN A 10 -19.349 -16.063 -5.658 1.00 0.00 C ATOM 101 OE1 GLN A 10 -19.147 -15.233 -6.529 1.00 0.00 O ATOM 102 NE2 GLN A 10 -20.559 -16.439 -5.255 1.00 0.00 N ATOM 0 H GLN A 10 -17.324 -19.669 -7.950 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.347 -17.445 -6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -18.993 -18.535 -5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.935 -18.867 -4.520 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -18.378 -16.735 -3.853 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -17.269 -16.238 -5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -20.657 -17.140 -4.520 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.389 -16.027 -5.681 1.00 0.00 H new ATOM 111 N LEU A 11 -14.663 -19.277 -6.140 1.00 0.00 N ATOM 112 CA LEU A 11 -13.646 -20.235 -5.740 1.00 0.00 C ATOM 113 C LEU A 11 -13.478 -20.189 -4.220 1.00 0.00 C ATOM 114 O LEU A 11 -13.695 -21.189 -3.537 1.00 0.00 O ATOM 115 CB LEU A 11 -12.346 -19.990 -6.509 1.00 0.00 C ATOM 116 CG LEU A 11 -12.363 -20.369 -7.991 1.00 0.00 C ATOM 117 CD1 LEU A 11 -11.136 -19.810 -8.714 1.00 0.00 C ATOM 118 CD2 LEU A 11 -12.491 -21.884 -8.168 1.00 0.00 C ATOM 0 H LEU A 11 -14.308 -18.461 -6.638 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.956 -21.248 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.092 -18.933 -6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.547 -20.548 -6.021 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.242 -19.915 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.173 -20.094 -9.766 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.129 -18.723 -8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.231 -20.214 -8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.501 -22.127 -9.231 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.645 -22.379 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.418 -22.227 -7.709 1.00 0.00 H new ATOM 130 N GLY A 12 -13.095 -19.017 -3.734 1.00 0.00 N ATOM 131 CA GLY A 12 -12.896 -18.827 -2.307 1.00 0.00 C ATOM 132 C GLY A 12 -12.194 -17.498 -2.023 1.00 0.00 C ATOM 133 O GLY A 12 -11.059 -17.480 -1.549 1.00 0.00 O ATOM 0 H GLY A 12 -12.917 -18.189 -4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.858 -18.850 -1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -12.302 -19.649 -1.907 1.00 0.00 H new ATOM 137 N SER A 13 -12.899 -16.417 -2.325 1.00 0.00 N ATOM 138 CA SER A 13 -12.357 -15.086 -2.109 1.00 0.00 C ATOM 139 C SER A 13 -11.154 -14.855 -3.025 1.00 0.00 C ATOM 140 O SER A 13 -10.270 -15.705 -3.121 1.00 0.00 O ATOM 141 CB SER A 13 -11.956 -14.886 -0.646 1.00 0.00 C ATOM 142 OG SER A 13 -11.688 -13.519 -0.348 1.00 0.00 O ATOM 0 H SER A 13 -13.840 -16.436 -2.717 1.00 0.00 H new ATOM 0 HA SER A 13 -13.132 -14.358 -2.348 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.754 -15.248 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.072 -15.485 -0.427 1.00 0.00 H new ATOM 0 HG SER A 13 -11.437 -13.433 0.595 1.00 0.00 H new ATOM 148 N ARG A 14 -11.159 -13.701 -3.676 1.00 0.00 N ATOM 149 CA ARG A 14 -10.080 -13.347 -4.581 1.00 0.00 C ATOM 150 C ARG A 14 -8.946 -12.663 -3.814 1.00 0.00 C ATOM 151 O ARG A 14 -9.066 -12.413 -2.616 1.00 0.00 O ATOM 152 CB ARG A 14 -10.573 -12.413 -5.688 1.00 0.00 C ATOM 153 CG ARG A 14 -11.449 -13.166 -6.691 1.00 0.00 C ATOM 154 CD ARG A 14 -11.884 -12.250 -7.836 1.00 0.00 C ATOM 155 NE ARG A 14 -11.023 -12.474 -9.019 1.00 0.00 N ATOM 156 CZ ARG A 14 -11.001 -11.675 -10.095 1.00 0.00 C ATOM 157 NH1 ARG A 14 -11.792 -10.594 -10.143 1.00 0.00 N ATOM 158 NH2 ARG A 14 -10.188 -11.956 -11.122 1.00 0.00 N ATOM 0 H ARG A 14 -11.894 -12.999 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.713 -14.268 -5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.140 -11.591 -5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.720 -11.972 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.899 -14.018 -7.091 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -12.329 -13.563 -6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.926 -12.444 -8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -11.822 -11.208 -7.523 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.408 -13.288 -9.015 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -12.411 -10.380 -9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.775 -9.986 -10.962 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.585 -12.778 -11.085 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.172 -11.348 -11.941 1.00 0.00 H new ATOM 172 N GLY A 15 -7.872 -12.381 -4.536 1.00 0.00 N ATOM 173 CA GLY A 15 -6.718 -11.731 -3.939 1.00 0.00 C ATOM 174 C GLY A 15 -7.105 -10.388 -3.317 1.00 0.00 C ATOM 175 O GLY A 15 -8.130 -9.807 -3.674 1.00 0.00 O ATOM 0 H GLY A 15 -7.777 -12.591 -5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.286 -12.378 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.950 -11.577 -4.697 1.00 0.00 H new ATOM 179 N ARG A 16 -6.266 -9.933 -2.399 1.00 0.00 N ATOM 180 CA ARG A 16 -6.508 -8.669 -1.725 1.00 0.00 C ATOM 181 C ARG A 16 -5.185 -7.949 -1.454 1.00 0.00 C ATOM 182 O ARG A 16 -4.241 -8.551 -0.945 1.00 0.00 O ATOM 183 CB ARG A 16 -7.245 -8.882 -0.401 1.00 0.00 C ATOM 184 CG ARG A 16 -8.465 -9.786 -0.592 1.00 0.00 C ATOM 185 CD ARG A 16 -9.603 -9.031 -1.282 1.00 0.00 C ATOM 186 NE ARG A 16 -10.807 -9.032 -0.420 1.00 0.00 N ATOM 187 CZ ARG A 16 -12.006 -8.574 -0.803 1.00 0.00 C ATOM 188 NH1 ARG A 16 -12.170 -8.076 -2.036 1.00 0.00 N ATOM 189 NH2 ARG A 16 -13.042 -8.615 0.046 1.00 0.00 N ATOM 0 H ARG A 16 -5.417 -10.417 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.130 -8.059 -2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.568 -9.327 0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.560 -7.920 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.188 -10.656 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.803 -10.156 0.376 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.296 -8.006 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.831 -9.497 -2.240 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.718 -9.405 0.525 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.382 -8.046 -2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.083 -7.727 -2.328 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.918 -8.995 0.984 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.955 -8.266 -0.246 1.00 0.00 H new ATOM 203 N LEU A 17 -5.159 -6.672 -1.806 1.00 0.00 N ATOM 204 CA LEU A 17 -3.968 -5.865 -1.607 1.00 0.00 C ATOM 205 C LEU A 17 -3.954 -5.329 -0.174 1.00 0.00 C ATOM 206 O LEU A 17 -5.001 -4.995 0.378 1.00 0.00 O ATOM 207 CB LEU A 17 -3.877 -4.772 -2.674 1.00 0.00 C ATOM 208 CG LEU A 17 -3.602 -5.249 -4.101 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.357 -4.393 -5.120 1.00 0.00 C ATOM 210 CD2 LEU A 17 -2.100 -5.289 -4.387 1.00 0.00 C ATOM 0 H LEU A 17 -5.944 -6.176 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.071 -6.472 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.812 -4.212 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.089 -4.076 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.975 -6.269 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.144 -4.753 -6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.428 -4.460 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.037 -3.355 -5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.933 -5.632 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.680 -4.291 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.615 -5.973 -3.691 1.00 0.00 H new ATOM 222 N TRP A 18 -2.755 -5.263 0.387 1.00 0.00 N ATOM 223 CA TRP A 18 -2.591 -4.773 1.745 1.00 0.00 C ATOM 224 C TRP A 18 -1.102 -4.510 1.976 1.00 0.00 C ATOM 225 O TRP A 18 -0.253 -5.103 1.312 1.00 0.00 O ATOM 226 CB TRP A 18 -3.189 -5.752 2.758 1.00 0.00 C ATOM 227 CG TRP A 18 -2.770 -7.207 2.539 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.359 -8.127 1.762 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.641 -7.876 3.139 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.694 -9.335 1.818 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.616 -9.177 2.681 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.672 -7.397 4.038 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.644 -10.108 3.068 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.292 -8.339 4.415 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.331 -9.653 3.964 1.00 0.00 C ATOM 0 H TRP A 18 -1.889 -5.541 -0.074 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.136 -3.840 1.886 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.893 -5.446 3.762 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.276 -5.687 2.713 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.242 -7.946 1.167 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.947 -10.187 1.318 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.672 -6.382 4.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.646 -11.122 2.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.060 -8.022 5.105 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.110 -10.320 4.303 1.00 0.00 H new ATOM 246 N LEU A 19 -0.829 -3.621 2.920 1.00 0.00 N ATOM 247 CA LEU A 19 0.543 -3.272 3.247 1.00 0.00 C ATOM 248 C LEU A 19 1.029 -4.157 4.396 1.00 0.00 C ATOM 249 O LEU A 19 0.240 -4.565 5.247 1.00 0.00 O ATOM 250 CB LEU A 19 0.662 -1.774 3.532 1.00 0.00 C ATOM 251 CG LEU A 19 0.127 -0.840 2.444 1.00 0.00 C ATOM 252 CD1 LEU A 19 0.243 -1.484 1.062 1.00 0.00 C ATOM 253 CD2 LEU A 19 -1.307 -0.402 2.754 1.00 0.00 C ATOM 0 H LEU A 19 -1.536 -3.132 3.469 1.00 0.00 H new ATOM 0 HA LEU A 19 1.198 -3.464 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.134 -1.558 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.713 -1.539 3.701 1.00 0.00 H new ATOM 0 HG LEU A 19 0.743 0.059 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.144 -0.799 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.289 -1.704 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.333 -2.409 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.663 0.261 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.951 -1.279 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.328 0.125 3.708 1.00 0.00 H new ATOM 265 N GLN A 20 2.326 -4.428 4.384 1.00 0.00 N ATOM 266 CA GLN A 20 2.927 -5.257 5.414 1.00 0.00 C ATOM 267 C GLN A 20 3.984 -4.464 6.185 1.00 0.00 C ATOM 268 O GLN A 20 5.112 -4.311 5.719 1.00 0.00 O ATOM 269 CB GLN A 20 3.527 -6.530 4.813 1.00 0.00 C ATOM 270 CG GLN A 20 3.793 -7.576 5.898 1.00 0.00 C ATOM 271 CD GLN A 20 4.328 -8.874 5.289 1.00 0.00 C ATOM 272 OE1 GLN A 20 5.365 -8.907 4.647 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.565 -9.937 5.525 1.00 0.00 N ATOM 0 H GLN A 20 2.977 -4.088 3.677 1.00 0.00 H new ATOM 0 HA GLN A 20 2.146 -5.557 6.112 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.846 -6.940 4.067 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.457 -6.290 4.298 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.512 -7.184 6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.873 -7.779 6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.709 -9.839 6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.836 -10.850 5.161 1.00 0.00 H new ATOM 282 N SER A 21 3.582 -3.980 7.351 1.00 0.00 N ATOM 283 CA SER A 21 4.480 -3.206 8.190 1.00 0.00 C ATOM 284 C SER A 21 5.510 -4.129 8.845 1.00 0.00 C ATOM 285 O SER A 21 5.192 -5.260 9.209 1.00 0.00 O ATOM 286 CB SER A 21 3.706 -2.432 9.259 1.00 0.00 C ATOM 287 OG SER A 21 2.507 -3.102 9.640 1.00 0.00 O ATOM 0 H SER A 21 2.646 -4.109 7.734 1.00 0.00 H new ATOM 0 HA SER A 21 4.998 -2.483 7.560 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.339 -2.294 10.136 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.462 -1.439 8.882 1.00 0.00 H new ATOM 0 HG SER A 21 1.778 -2.451 9.715 1.00 0.00 H new ATOM 293 N PRO A 22 6.755 -3.598 8.978 1.00 0.00 N ATOM 294 CA PRO A 22 7.834 -4.361 9.582 1.00 0.00 C ATOM 295 C PRO A 22 7.666 -4.439 11.101 1.00 0.00 C ATOM 296 O PRO A 22 6.805 -3.769 11.669 1.00 0.00 O ATOM 297 CB PRO A 22 9.106 -3.646 9.160 1.00 0.00 C ATOM 298 CG PRO A 22 8.678 -2.253 8.727 1.00 0.00 C ATOM 299 CD PRO A 22 7.168 -2.262 8.558 1.00 0.00 C ATOM 0 HA PRO A 22 7.850 -5.400 9.253 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.818 -3.597 9.984 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.599 -4.174 8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.975 -1.514 9.471 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.165 -1.977 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.697 -1.492 9.169 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.884 -2.067 7.524 1.00 0.00 H new ATOM 307 N THR A 23 8.504 -5.261 11.715 1.00 0.00 N ATOM 308 CA THR A 23 8.460 -5.434 13.157 1.00 0.00 C ATOM 309 C THR A 23 7.014 -5.592 13.631 1.00 0.00 C ATOM 310 O THR A 23 6.648 -5.094 14.695 1.00 0.00 O ATOM 311 CB THR A 23 9.184 -4.249 13.798 1.00 0.00 C ATOM 312 OG1 THR A 23 10.566 -4.555 13.633 1.00 0.00 O ATOM 313 CG2 THR A 23 8.992 -4.197 15.316 1.00 0.00 C ATOM 0 H THR A 23 9.217 -5.814 11.240 1.00 0.00 H new ATOM 0 HA THR A 23 8.970 -6.348 13.462 1.00 0.00 H new ATOM 0 HB THR A 23 8.824 -3.321 13.354 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.109 -3.836 14.020 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.526 -3.338 15.721 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.930 -4.106 15.546 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.383 -5.111 15.764 1.00 0.00 H new ATOM 321 N GLY A 24 6.231 -6.287 12.819 1.00 0.00 N ATOM 322 CA GLY A 24 4.833 -6.517 13.143 1.00 0.00 C ATOM 323 C GLY A 24 4.028 -5.219 13.048 1.00 0.00 C ATOM 324 O GLY A 24 3.006 -5.167 12.366 1.00 0.00 O ATOM 0 H GLY A 24 6.538 -6.698 11.938 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.415 -7.259 12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.752 -6.927 14.150 1.00 0.00 H new ATOM 328 N GLY A 25 4.520 -4.204 13.742 1.00 0.00 N ATOM 329 CA GLY A 25 3.859 -2.910 13.745 1.00 0.00 C ATOM 330 C GLY A 25 2.337 -3.071 13.739 1.00 0.00 C ATOM 331 O GLY A 25 1.800 -3.948 14.413 1.00 0.00 O ATOM 0 H GLY A 25 5.368 -4.251 14.306 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.165 -2.344 14.625 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.171 -2.336 12.872 1.00 0.00 H new ATOM 335 N PRO A 26 1.669 -2.188 12.950 1.00 0.00 N ATOM 336 CA PRO A 26 0.220 -2.224 12.847 1.00 0.00 C ATOM 337 C PRO A 26 -0.239 -3.399 11.981 1.00 0.00 C ATOM 338 O PRO A 26 0.582 -4.094 11.386 1.00 0.00 O ATOM 339 CB PRO A 26 -0.167 -0.873 12.269 1.00 0.00 C ATOM 340 CG PRO A 26 1.097 -0.312 11.638 1.00 0.00 C ATOM 341 CD PRO A 26 2.273 -1.136 12.137 1.00 0.00 C ATOM 0 HA PRO A 26 -0.266 -2.384 13.809 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.960 -0.978 11.528 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.543 -0.209 13.047 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.033 -0.357 10.551 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.225 0.737 11.906 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.844 -1.554 11.308 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.962 -0.528 12.724 1.00 0.00 H new ATOM 349 N PRO A 27 -1.585 -3.589 11.937 1.00 0.00 N ATOM 350 CA PRO A 27 -2.163 -4.667 11.154 1.00 0.00 C ATOM 351 C PRO A 27 -2.126 -4.341 9.660 1.00 0.00 C ATOM 352 O PRO A 27 -1.884 -3.198 9.276 1.00 0.00 O ATOM 353 CB PRO A 27 -3.576 -4.830 11.691 1.00 0.00 C ATOM 354 CG PRO A 27 -3.893 -3.539 12.429 1.00 0.00 C ATOM 355 CD PRO A 27 -2.588 -2.785 12.629 1.00 0.00 C ATOM 0 HA PRO A 27 -1.606 -5.599 11.247 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.285 -5.001 10.880 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.643 -5.689 12.359 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.599 -2.936 11.858 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.361 -3.753 13.390 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.644 -1.779 12.213 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.350 -2.680 13.687 1.00 0.00 H new ATOM 363 N PRO A 28 -2.376 -5.393 8.835 1.00 0.00 N ATOM 364 CA PRO A 28 -2.373 -5.230 7.391 1.00 0.00 C ATOM 365 C PRO A 28 -3.640 -4.514 6.918 1.00 0.00 C ATOM 366 O PRO A 28 -4.734 -5.071 6.984 1.00 0.00 O ATOM 367 CB PRO A 28 -2.245 -6.639 6.836 1.00 0.00 C ATOM 368 CG PRO A 28 -2.648 -7.571 7.968 1.00 0.00 C ATOM 369 CD PRO A 28 -2.667 -6.761 9.254 1.00 0.00 C ATOM 0 HA PRO A 28 -1.554 -4.602 7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.890 -6.777 5.968 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.224 -6.839 6.510 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.630 -8.004 7.775 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.945 -8.400 8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.636 -6.826 9.749 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.923 -7.125 9.962 1.00 0.00 H new ATOM 377 N ILE A 29 -3.449 -3.288 6.451 1.00 0.00 N ATOM 378 CA ILE A 29 -4.562 -2.490 5.967 1.00 0.00 C ATOM 379 C ILE A 29 -4.938 -2.950 4.557 1.00 0.00 C ATOM 380 O ILE A 29 -4.127 -2.868 3.636 1.00 0.00 O ATOM 381 CB ILE A 29 -4.233 -0.999 6.060 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.140 -0.548 7.520 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.238 -0.164 5.265 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.688 -0.281 7.920 1.00 0.00 C ATOM 0 H ILE A 29 -2.540 -2.829 6.398 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.439 -2.639 6.596 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.254 -0.837 5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.732 0.356 7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.565 -1.314 8.169 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.980 0.892 5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.211 -0.462 4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.240 -0.325 5.662 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.650 0.038 8.962 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.104 -1.193 7.798 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.274 0.503 7.285 1.00 0.00 H new ATOM 396 N PHE A 30 -6.170 -3.423 4.433 1.00 0.00 N ATOM 397 CA PHE A 30 -6.664 -3.896 3.151 1.00 0.00 C ATOM 398 C PHE A 30 -7.192 -2.735 2.305 1.00 0.00 C ATOM 399 O PHE A 30 -8.271 -2.210 2.570 1.00 0.00 O ATOM 400 CB PHE A 30 -7.813 -4.863 3.443 1.00 0.00 C ATOM 401 CG PHE A 30 -7.379 -6.153 4.141 1.00 0.00 C ATOM 402 CD1 PHE A 30 -7.343 -6.212 5.500 1.00 0.00 C ATOM 403 CD2 PHE A 30 -7.028 -7.240 3.404 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.939 -7.409 6.148 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.625 -8.438 4.052 1.00 0.00 C ATOM 406 CZ PHE A 30 -6.589 -8.497 5.410 1.00 0.00 C ATOM 0 H PHE A 30 -6.840 -3.489 5.199 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.859 -4.378 2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.551 -4.356 4.065 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.307 -5.118 2.505 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.622 -5.348 6.086 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.056 -7.193 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.910 -7.456 7.227 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.347 -9.302 3.466 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.282 -9.408 5.903 1.00 0.00 H new ATOM 416 N LEU A 31 -6.405 -2.370 1.303 1.00 0.00 N ATOM 417 CA LEU A 31 -6.780 -1.281 0.417 1.00 0.00 C ATOM 418 C LEU A 31 -8.095 -1.629 -0.284 1.00 0.00 C ATOM 419 O LEU A 31 -8.450 -2.801 -0.398 1.00 0.00 O ATOM 420 CB LEU A 31 -5.637 -0.957 -0.547 1.00 0.00 C ATOM 421 CG LEU A 31 -4.242 -0.864 0.075 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.321 0.015 -0.774 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.318 -0.382 1.525 1.00 0.00 C ATOM 0 H LEU A 31 -5.510 -2.809 1.085 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.954 -0.369 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.616 -1.720 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.859 -0.009 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.808 -1.864 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.336 0.065 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.230 -0.411 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.740 1.019 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.313 -0.325 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.781 0.604 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.915 -1.082 2.110 1.00 0.00 H new ATOM 435 N PRO A 32 -8.799 -0.562 -0.748 1.00 0.00 N ATOM 436 CA PRO A 32 -10.067 -0.744 -1.434 1.00 0.00 C ATOM 437 C PRO A 32 -9.850 -1.263 -2.857 1.00 0.00 C ATOM 438 O PRO A 32 -8.988 -0.764 -3.579 1.00 0.00 O ATOM 439 CB PRO A 32 -10.734 0.622 -1.395 1.00 0.00 C ATOM 440 CG PRO A 32 -9.625 1.619 -1.103 1.00 0.00 C ATOM 441 CD PRO A 32 -8.409 0.840 -0.631 1.00 0.00 C ATOM 0 HA PRO A 32 -10.699 -1.495 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.221 0.846 -2.344 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.505 0.658 -0.625 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.385 2.196 -1.996 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.942 2.330 -0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.535 1.060 -1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.150 1.095 0.397 1.00 0.00 H new ATOM 449 N SER A 33 -10.648 -2.257 -3.218 1.00 0.00 N ATOM 450 CA SER A 33 -10.555 -2.849 -4.542 1.00 0.00 C ATOM 451 C SER A 33 -11.381 -2.034 -5.539 1.00 0.00 C ATOM 452 O SER A 33 -11.048 -1.970 -6.721 1.00 0.00 O ATOM 453 CB SER A 33 -11.024 -4.305 -4.528 1.00 0.00 C ATOM 454 OG SER A 33 -12.350 -4.434 -4.024 1.00 0.00 O ATOM 0 H SER A 33 -11.362 -2.668 -2.617 1.00 0.00 H new ATOM 0 HA SER A 33 -9.510 -2.836 -4.850 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.980 -4.710 -5.539 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.344 -4.899 -3.917 1.00 0.00 H new ATOM 0 HG SER A 33 -12.613 -5.378 -4.033 1.00 0.00 H new ATOM 460 N ASP A 34 -12.444 -1.432 -5.025 1.00 0.00 N ATOM 461 CA ASP A 34 -13.321 -0.625 -5.856 1.00 0.00 C ATOM 462 C ASP A 34 -12.480 0.355 -6.676 1.00 0.00 C ATOM 463 O ASP A 34 -12.834 0.688 -7.806 1.00 0.00 O ATOM 464 CB ASP A 34 -14.295 0.189 -5.000 1.00 0.00 C ATOM 465 CG ASP A 34 -15.776 -0.063 -5.290 1.00 0.00 C ATOM 466 OD1 ASP A 34 -16.048 -0.762 -6.290 1.00 0.00 O ATOM 467 OD2 ASP A 34 -16.602 0.449 -4.505 1.00 0.00 O ATOM 0 H ASP A 34 -12.717 -1.487 -4.044 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.884 -1.297 -6.504 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.103 -0.031 -3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.086 1.249 -5.147 1.00 0.00 H new ATOM 472 N GLY A 35 -11.381 0.789 -6.075 1.00 0.00 N ATOM 473 CA GLY A 35 -10.487 1.725 -6.735 1.00 0.00 C ATOM 474 C GLY A 35 -10.252 2.964 -5.869 1.00 0.00 C ATOM 475 O GLY A 35 -9.412 3.802 -6.193 1.00 0.00 O ATOM 0 H GLY A 35 -11.090 0.509 -5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.535 1.238 -6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.910 2.023 -7.694 1.00 0.00 H new ATOM 479 N GLN A 36 -11.010 3.041 -4.785 1.00 0.00 N ATOM 480 CA GLN A 36 -10.895 4.164 -3.870 1.00 0.00 C ATOM 481 C GLN A 36 -9.424 4.446 -3.558 1.00 0.00 C ATOM 482 O GLN A 36 -8.547 3.665 -3.925 1.00 0.00 O ATOM 483 CB GLN A 36 -11.689 3.909 -2.587 1.00 0.00 C ATOM 484 CG GLN A 36 -13.107 4.471 -2.699 1.00 0.00 C ATOM 485 CD GLN A 36 -13.968 3.607 -3.624 1.00 0.00 C ATOM 486 OE1 GLN A 36 -14.296 2.470 -3.326 1.00 0.00 O ATOM 487 NE2 GLN A 36 -14.313 4.208 -4.759 1.00 0.00 N ATOM 0 H GLN A 36 -11.706 2.344 -4.520 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.319 5.045 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.733 2.838 -2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.178 4.369 -1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.563 4.517 -1.710 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.069 5.491 -3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.004 5.162 -4.945 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.887 3.715 -5.443 1.00 0.00 H new ATOM 496 N ALA A 37 -9.199 5.564 -2.884 1.00 0.00 N ATOM 497 CA ALA A 37 -7.849 5.958 -2.518 1.00 0.00 C ATOM 498 C ALA A 37 -7.738 6.026 -0.994 1.00 0.00 C ATOM 499 O ALA A 37 -8.468 6.775 -0.347 1.00 0.00 O ATOM 500 CB ALA A 37 -7.508 7.291 -3.187 1.00 0.00 C ATOM 0 H ALA A 37 -9.929 6.210 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.126 5.222 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.495 7.587 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.574 7.182 -4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.212 8.055 -2.856 1.00 0.00 H new ATOM 506 N LEU A 38 -6.817 5.234 -0.464 1.00 0.00 N ATOM 507 CA LEU A 38 -6.600 5.194 0.972 1.00 0.00 C ATOM 508 C LEU A 38 -5.529 6.219 1.350 1.00 0.00 C ATOM 509 O LEU A 38 -4.337 5.970 1.172 1.00 0.00 O ATOM 510 CB LEU A 38 -6.277 3.770 1.427 1.00 0.00 C ATOM 511 CG LEU A 38 -6.745 3.391 2.833 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.218 3.751 3.036 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.470 1.915 3.124 1.00 0.00 C ATOM 0 H LEU A 38 -6.212 4.615 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.510 5.473 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.723 3.073 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.197 3.630 1.375 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.169 3.973 3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.525 3.471 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.352 4.824 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.827 3.215 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.812 1.673 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.001 1.296 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.400 1.723 3.049 1.00 0.00 H new ATOM 525 N VAL A 39 -5.991 7.349 1.865 1.00 0.00 N ATOM 526 CA VAL A 39 -5.087 8.412 2.270 1.00 0.00 C ATOM 527 C VAL A 39 -4.327 7.979 3.526 1.00 0.00 C ATOM 528 O VAL A 39 -4.927 7.785 4.582 1.00 0.00 O ATOM 529 CB VAL A 39 -5.864 9.715 2.461 1.00 0.00 C ATOM 530 CG1 VAL A 39 -5.268 10.547 3.599 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.913 10.520 1.161 1.00 0.00 C ATOM 0 H VAL A 39 -6.980 7.552 2.011 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.347 8.601 1.492 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.887 9.458 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.839 11.468 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.309 9.977 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.231 10.790 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.471 11.442 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.898 10.762 0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.404 9.931 0.387 1.00 0.00 H new ATOM 541 N LEU A 40 -3.019 7.839 3.369 1.00 0.00 N ATOM 542 CA LEU A 40 -2.171 7.433 4.477 1.00 0.00 C ATOM 543 C LEU A 40 -1.622 8.678 5.176 1.00 0.00 C ATOM 544 O LEU A 40 -1.829 9.798 4.712 1.00 0.00 O ATOM 545 CB LEU A 40 -1.086 6.468 3.995 1.00 0.00 C ATOM 546 CG LEU A 40 -1.111 5.068 4.612 1.00 0.00 C ATOM 547 CD1 LEU A 40 -2.399 4.330 4.242 1.00 0.00 C ATOM 548 CD2 LEU A 40 0.137 4.275 4.221 1.00 0.00 C ATOM 0 H LEU A 40 -2.525 8.000 2.491 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.749 6.881 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.171 6.368 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.113 6.916 4.198 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.099 5.172 5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.392 3.338 4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.258 4.890 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.466 4.236 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.094 3.284 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.181 4.178 3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.026 4.797 4.575 1.00 0.00 H new ATOM 560 N GLY A 41 -0.931 8.440 6.282 1.00 0.00 N ATOM 561 CA GLY A 41 -0.350 9.528 7.049 1.00 0.00 C ATOM 562 C GLY A 41 -0.544 9.304 8.551 1.00 0.00 C ATOM 563 O GLY A 41 -0.825 8.188 8.984 1.00 0.00 O ATOM 0 H GLY A 41 -0.761 7.510 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.713 9.609 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.811 10.471 6.756 1.00 0.00 H new ATOM 567 N ARG A 42 -0.385 10.384 9.303 1.00 0.00 N ATOM 568 CA ARG A 42 -0.539 10.319 10.746 1.00 0.00 C ATOM 569 C ARG A 42 -1.837 9.596 11.110 1.00 0.00 C ATOM 570 O ARG A 42 -2.824 9.679 10.380 1.00 0.00 O ATOM 571 CB ARG A 42 -0.554 11.720 11.362 1.00 0.00 C ATOM 572 CG ARG A 42 0.664 11.936 12.262 1.00 0.00 C ATOM 573 CD ARG A 42 0.568 13.271 13.002 1.00 0.00 C ATOM 574 NE ARG A 42 -0.660 13.305 13.827 1.00 0.00 N ATOM 575 CZ ARG A 42 -1.266 14.432 14.225 1.00 0.00 C ATOM 576 NH1 ARG A 42 -0.762 15.624 13.877 1.00 0.00 N ATOM 577 NH2 ARG A 42 -2.377 14.367 14.972 1.00 0.00 N ATOM 0 H ARG A 42 -0.151 11.308 8.940 1.00 0.00 H new ATOM 0 HA ARG A 42 0.312 9.767 11.145 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.563 12.469 10.570 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.467 11.857 11.941 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.738 11.121 12.982 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.573 11.914 11.661 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.445 13.410 13.634 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.558 14.093 12.286 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.071 12.415 14.110 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.084 15.674 13.309 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.224 16.481 14.180 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.761 13.460 15.237 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.839 15.225 15.275 1.00 0.00 H new ATOM 591 N GLY A 43 -1.795 8.902 12.238 1.00 0.00 N ATOM 592 CA GLY A 43 -2.955 8.165 12.707 1.00 0.00 C ATOM 593 C GLY A 43 -2.584 6.723 13.059 1.00 0.00 C ATOM 594 O GLY A 43 -1.431 6.322 12.910 1.00 0.00 O ATOM 0 H GLY A 43 -0.975 8.835 12.841 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.375 8.660 13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.727 8.168 11.938 1.00 0.00 H new ATOM 598 N PRO A 44 -3.609 5.964 13.531 1.00 0.00 N ATOM 599 CA PRO A 44 -3.401 4.575 13.905 1.00 0.00 C ATOM 600 C PRO A 44 -3.269 3.688 12.666 1.00 0.00 C ATOM 601 O PRO A 44 -3.058 2.481 12.782 1.00 0.00 O ATOM 602 CB PRO A 44 -4.600 4.217 14.767 1.00 0.00 C ATOM 603 CG PRO A 44 -5.660 5.263 14.463 1.00 0.00 C ATOM 604 CD PRO A 44 -4.987 6.406 13.720 1.00 0.00 C ATOM 0 HA PRO A 44 -2.472 4.421 14.454 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.962 3.215 14.535 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.337 4.224 15.825 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.459 4.833 13.859 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.116 5.623 15.385 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.475 6.600 12.765 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.031 7.332 14.294 1.00 0.00 H new ATOM 612 N LEU A 45 -3.397 4.319 11.508 1.00 0.00 N ATOM 613 CA LEU A 45 -3.294 3.602 10.249 1.00 0.00 C ATOM 614 C LEU A 45 -1.912 2.955 10.147 1.00 0.00 C ATOM 615 O LEU A 45 -1.799 1.733 10.056 1.00 0.00 O ATOM 616 CB LEU A 45 -3.629 4.526 9.077 1.00 0.00 C ATOM 617 CG LEU A 45 -5.117 4.776 8.823 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.648 5.891 9.727 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.380 5.064 7.343 1.00 0.00 C ATOM 0 H LEU A 45 -3.571 5.320 11.416 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.027 2.796 10.209 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.144 5.487 9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.192 4.105 8.172 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.664 3.868 9.077 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.708 6.049 9.526 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.515 5.607 10.771 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.100 6.812 9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.445 5.238 7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.820 5.949 7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.062 4.211 6.744 1.00 0.00 H new ATOM 631 N THR A 46 -0.894 3.803 10.165 1.00 0.00 N ATOM 632 CA THR A 46 0.477 3.329 10.076 1.00 0.00 C ATOM 633 C THR A 46 1.212 3.571 11.396 1.00 0.00 C ATOM 634 O THR A 46 2.409 3.309 11.501 1.00 0.00 O ATOM 635 CB THR A 46 1.137 4.016 8.878 1.00 0.00 C ATOM 636 OG1 THR A 46 0.971 5.406 9.140 1.00 0.00 O ATOM 637 CG2 THR A 46 0.369 3.787 7.575 1.00 0.00 C ATOM 0 H THR A 46 -0.991 4.816 10.240 1.00 0.00 H new ATOM 0 HA THR A 46 0.514 2.252 9.913 1.00 0.00 H new ATOM 0 HB THR A 46 2.157 3.649 8.766 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.372 5.926 8.413 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.880 4.296 6.757 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.321 2.719 7.364 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.642 4.183 7.674 1.00 0.00 H new ATOM 645 N GLN A 47 0.464 4.067 12.370 1.00 0.00 N ATOM 646 CA GLN A 47 1.029 4.347 13.679 1.00 0.00 C ATOM 647 C GLN A 47 2.064 5.470 13.581 1.00 0.00 C ATOM 648 O GLN A 47 2.975 5.553 14.404 1.00 0.00 O ATOM 649 CB GLN A 47 1.644 3.087 14.292 1.00 0.00 C ATOM 650 CG GLN A 47 0.560 2.073 14.663 1.00 0.00 C ATOM 651 CD GLN A 47 0.463 1.905 16.180 1.00 0.00 C ATOM 652 OE1 GLN A 47 1.353 2.270 16.930 1.00 0.00 O ATOM 653 NE2 GLN A 47 -0.666 1.332 16.590 1.00 0.00 N ATOM 0 H GLN A 47 -0.529 4.282 12.279 1.00 0.00 H new ATOM 0 HA GLN A 47 0.225 4.676 14.337 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.341 2.637 13.585 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.218 3.353 15.180 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.401 2.402 14.268 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.783 1.111 14.201 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.371 1.050 15.909 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.826 1.175 17.585 1.00 0.00 H new ATOM 662 N VAL A 48 1.889 6.306 12.569 1.00 0.00 N ATOM 663 CA VAL A 48 2.796 7.420 12.353 1.00 0.00 C ATOM 664 C VAL A 48 2.344 8.612 13.198 1.00 0.00 C ATOM 665 O VAL A 48 1.171 8.982 13.179 1.00 0.00 O ATOM 666 CB VAL A 48 2.882 7.744 10.860 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.497 9.127 10.633 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.664 6.665 10.109 1.00 0.00 C ATOM 0 H VAL A 48 1.132 6.234 11.889 1.00 0.00 H new ATOM 0 HA VAL A 48 3.804 7.158 12.674 1.00 0.00 H new ATOM 0 HB VAL A 48 1.868 7.760 10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.546 9.332 9.564 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.881 9.883 11.119 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.502 9.152 11.054 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.710 6.920 9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.675 6.602 10.511 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.165 5.704 10.229 1.00 0.00 H new ATOM 678 N THR A 49 3.298 9.181 13.920 1.00 0.00 N ATOM 679 CA THR A 49 3.012 10.324 14.771 1.00 0.00 C ATOM 680 C THR A 49 3.792 11.552 14.295 1.00 0.00 C ATOM 681 O THR A 49 3.338 12.683 14.462 1.00 0.00 O ATOM 682 CB THR A 49 3.324 9.928 16.215 1.00 0.00 C ATOM 683 OG1 THR A 49 4.738 9.752 16.229 1.00 0.00 O ATOM 684 CG2 THR A 49 2.773 8.547 16.576 1.00 0.00 C ATOM 0 H THR A 49 4.270 8.872 13.933 1.00 0.00 H new ATOM 0 HA THR A 49 1.960 10.605 14.716 1.00 0.00 H new ATOM 0 HB THR A 49 2.908 10.673 16.893 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.027 9.495 17.130 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.022 8.315 17.611 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.690 8.544 16.454 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.214 7.796 15.920 1.00 0.00 H new ATOM 692 N ASP A 50 4.952 11.286 13.712 1.00 0.00 N ATOM 693 CA ASP A 50 5.799 12.355 13.211 1.00 0.00 C ATOM 694 C ASP A 50 4.926 13.430 12.561 1.00 0.00 C ATOM 695 O ASP A 50 4.145 13.137 11.656 1.00 0.00 O ATOM 696 CB ASP A 50 6.775 11.835 12.154 1.00 0.00 C ATOM 697 CG ASP A 50 7.826 12.846 11.690 1.00 0.00 C ATOM 698 OD1 ASP A 50 7.537 14.057 11.804 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.894 12.385 11.233 1.00 0.00 O ATOM 0 H ASP A 50 5.325 10.346 13.576 1.00 0.00 H new ATOM 0 HA ASP A 50 6.361 12.762 14.052 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.287 10.959 12.553 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.204 11.503 11.287 1.00 0.00 H new ATOM 704 N ARG A 51 5.088 14.652 13.046 1.00 0.00 N ATOM 705 CA ARG A 51 4.324 15.772 12.523 1.00 0.00 C ATOM 706 C ARG A 51 4.602 15.953 11.029 1.00 0.00 C ATOM 707 O ARG A 51 3.745 16.430 10.287 1.00 0.00 O ATOM 708 CB ARG A 51 4.671 17.067 13.259 1.00 0.00 C ATOM 709 CG ARG A 51 6.180 17.315 13.252 1.00 0.00 C ATOM 710 CD ARG A 51 6.498 18.778 13.571 1.00 0.00 C ATOM 711 NE ARG A 51 5.971 19.654 12.502 1.00 0.00 N ATOM 712 CZ ARG A 51 6.404 20.901 12.271 1.00 0.00 C ATOM 713 NH1 ARG A 51 7.373 21.426 13.034 1.00 0.00 N ATOM 714 NH2 ARG A 51 5.868 21.624 11.279 1.00 0.00 N ATOM 0 H ARG A 51 5.737 14.891 13.796 1.00 0.00 H new ATOM 0 HA ARG A 51 3.267 15.552 12.676 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.159 17.906 12.787 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.313 17.012 14.287 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.662 16.667 13.984 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.590 17.055 12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.058 19.054 14.529 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.576 18.913 13.665 1.00 0.00 H new ATOM 0 HE ARG A 51 5.232 19.286 11.903 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.781 20.876 13.790 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.703 22.375 12.858 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.130 21.226 10.699 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.198 22.573 11.104 1.00 0.00 H new ATOM 728 N LYS A 52 5.805 15.562 10.632 1.00 0.00 N ATOM 729 CA LYS A 52 6.207 15.675 9.241 1.00 0.00 C ATOM 730 C LYS A 52 5.250 14.859 8.370 1.00 0.00 C ATOM 731 O LYS A 52 5.203 15.040 7.154 1.00 0.00 O ATOM 732 CB LYS A 52 7.676 15.282 9.074 1.00 0.00 C ATOM 733 CG LYS A 52 8.579 16.151 9.952 1.00 0.00 C ATOM 734 CD LYS A 52 9.616 16.893 9.107 1.00 0.00 C ATOM 735 CE LYS A 52 10.710 17.499 9.988 1.00 0.00 C ATOM 736 NZ LYS A 52 12.050 17.145 9.469 1.00 0.00 N ATOM 0 H LYS A 52 6.514 15.167 11.250 1.00 0.00 H new ATOM 0 HA LYS A 52 6.138 16.711 8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.808 14.232 9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.968 15.388 8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.973 16.870 10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.084 15.527 10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.062 16.207 8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.127 17.681 8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.601 18.583 10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.603 17.138 11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.780 17.565 10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.157 16.111 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.155 17.511 8.501 1.00 0.00 H new ATOM 750 N CYS A 53 4.510 13.977 9.026 1.00 0.00 N ATOM 751 CA CYS A 53 3.556 13.132 8.326 1.00 0.00 C ATOM 752 C CYS A 53 2.209 13.856 8.290 1.00 0.00 C ATOM 753 O CYS A 53 1.655 14.197 9.334 1.00 0.00 O ATOM 754 CB CYS A 53 3.444 11.750 8.973 1.00 0.00 C ATOM 755 SG CYS A 53 3.976 10.460 7.789 1.00 0.00 S ATOM 0 H CYS A 53 4.551 13.829 10.034 1.00 0.00 H new ATOM 0 HA CYS A 53 3.900 12.957 7.307 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.061 11.708 9.870 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.416 11.567 9.285 1.00 0.00 H new ATOM 0 HG CYS A 53 3.758 10.869 6.574 1.00 0.00 H new ATOM 761 N SER A 54 1.721 14.070 7.077 1.00 0.00 N ATOM 762 CA SER A 54 0.449 14.748 6.891 1.00 0.00 C ATOM 763 C SER A 54 -0.665 13.720 6.681 1.00 0.00 C ATOM 764 O SER A 54 -0.489 12.749 5.948 1.00 0.00 O ATOM 765 CB SER A 54 0.508 15.716 5.708 1.00 0.00 C ATOM 766 OG SER A 54 -0.203 16.922 5.969 1.00 0.00 O ATOM 0 H SER A 54 2.183 13.786 6.213 1.00 0.00 H new ATOM 0 HA SER A 54 0.236 15.328 7.789 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.548 15.950 5.483 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.091 15.234 4.824 1.00 0.00 H new ATOM 0 HG SER A 54 -0.140 17.514 5.191 1.00 0.00 H new ATOM 772 N ARG A 55 -1.788 13.970 7.339 1.00 0.00 N ATOM 773 CA ARG A 55 -2.931 13.079 7.234 1.00 0.00 C ATOM 774 C ARG A 55 -3.075 12.567 5.799 1.00 0.00 C ATOM 775 O ARG A 55 -3.519 11.441 5.579 1.00 0.00 O ATOM 776 CB ARG A 55 -4.222 13.788 7.646 1.00 0.00 C ATOM 777 CG ARG A 55 -5.051 12.913 8.589 1.00 0.00 C ATOM 778 CD ARG A 55 -6.531 12.936 8.199 1.00 0.00 C ATOM 779 NE ARG A 55 -7.303 13.721 9.188 1.00 0.00 N ATOM 780 CZ ARG A 55 -7.338 15.060 9.222 1.00 0.00 C ATOM 781 NH1 ARG A 55 -6.646 15.771 8.322 1.00 0.00 N ATOM 782 NH2 ARG A 55 -8.066 15.688 10.156 1.00 0.00 N ATOM 0 H ARG A 55 -1.930 14.777 7.947 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.760 12.240 7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.982 14.732 8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.808 14.029 6.759 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.680 11.889 8.561 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.936 13.266 9.614 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.647 13.371 7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.918 11.918 8.148 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.842 13.211 9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.093 15.293 7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.673 16.790 8.348 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.593 15.147 10.841 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.093 16.707 10.182 1.00 0.00 H new ATOM 796 N ASN A 56 -2.690 13.419 4.860 1.00 0.00 N ATOM 797 CA ASN A 56 -2.771 13.067 3.452 1.00 0.00 C ATOM 798 C ASN A 56 -1.387 13.212 2.815 1.00 0.00 C ATOM 799 O ASN A 56 -1.228 13.918 1.821 1.00 0.00 O ATOM 800 CB ASN A 56 -3.734 13.994 2.707 1.00 0.00 C ATOM 801 CG ASN A 56 -3.691 15.409 3.286 1.00 0.00 C ATOM 802 OD1 ASN A 56 -2.706 15.844 3.858 1.00 0.00 O ATOM 803 ND2 ASN A 56 -4.813 16.101 3.107 1.00 0.00 N ATOM 0 H ASN A 56 -2.321 14.352 5.046 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.131 12.041 3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.472 14.022 1.649 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.748 13.600 2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.885 17.056 3.458 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.602 15.677 2.619 1.00 0.00 H new ATOM 810 N GLN A 57 -0.421 12.530 3.413 1.00 0.00 N ATOM 811 CA GLN A 57 0.943 12.574 2.917 1.00 0.00 C ATOM 812 C GLN A 57 1.024 11.933 1.530 1.00 0.00 C ATOM 813 O GLN A 57 1.806 12.367 0.686 1.00 0.00 O ATOM 814 CB GLN A 57 1.904 11.892 3.893 1.00 0.00 C ATOM 815 CG GLN A 57 3.314 11.808 3.306 1.00 0.00 C ATOM 816 CD GLN A 57 3.871 13.203 3.015 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.453 14.197 3.585 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.834 13.220 2.098 1.00 0.00 N ATOM 0 H GLN A 57 -0.557 11.944 4.237 1.00 0.00 H new ATOM 0 HA GLN A 57 1.244 13.618 2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.929 12.446 4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.542 10.890 4.125 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.971 11.288 4.003 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.295 11.221 2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.136 12.350 1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.270 14.103 1.833 1.00 0.00 H new ATOM 827 N VAL A 58 0.206 10.909 1.338 1.00 0.00 N ATOM 828 CA VAL A 58 0.175 10.204 0.068 1.00 0.00 C ATOM 829 C VAL A 58 -1.188 9.528 -0.103 1.00 0.00 C ATOM 830 O VAL A 58 -1.889 9.281 0.877 1.00 0.00 O ATOM 831 CB VAL A 58 1.344 9.220 -0.013 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.654 9.950 -0.317 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.459 8.398 1.272 1.00 0.00 C ATOM 0 H VAL A 58 -0.441 10.550 2.041 1.00 0.00 H new ATOM 0 HA VAL A 58 0.297 10.903 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 58 1.146 8.531 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.469 9.228 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.568 10.470 -1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.860 10.673 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.298 7.707 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.623 9.066 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.539 7.835 1.427 1.00 0.00 H new ATOM 843 N GLU A 59 -1.521 9.249 -1.354 1.00 0.00 N ATOM 844 CA GLU A 59 -2.787 8.607 -1.666 1.00 0.00 C ATOM 845 C GLU A 59 -2.545 7.236 -2.299 1.00 0.00 C ATOM 846 O GLU A 59 -2.183 7.144 -3.471 1.00 0.00 O ATOM 847 CB GLU A 59 -3.640 9.490 -2.579 1.00 0.00 C ATOM 848 CG GLU A 59 -5.033 8.889 -2.779 1.00 0.00 C ATOM 849 CD GLU A 59 -6.046 9.969 -3.160 1.00 0.00 C ATOM 850 OE1 GLU A 59 -6.615 10.570 -2.223 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.230 10.170 -4.380 1.00 0.00 O ATOM 0 H GLU A 59 -0.936 9.456 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.338 8.464 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.729 10.487 -2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.147 9.604 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.996 8.128 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.353 8.392 -1.864 1.00 0.00 H new ATOM 858 N LEU A 60 -2.755 6.203 -1.496 1.00 0.00 N ATOM 859 CA LEU A 60 -2.564 4.840 -1.964 1.00 0.00 C ATOM 860 C LEU A 60 -3.856 4.344 -2.615 1.00 0.00 C ATOM 861 O LEU A 60 -4.949 4.605 -2.114 1.00 0.00 O ATOM 862 CB LEU A 60 -2.067 3.948 -0.825 1.00 0.00 C ATOM 863 CG LEU A 60 -0.557 3.956 -0.577 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.224 4.630 0.756 1.00 0.00 C ATOM 865 CD2 LEU A 60 0.021 2.542 -0.664 1.00 0.00 C ATOM 0 H LEU A 60 -3.055 6.282 -0.524 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.788 4.804 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.568 4.253 0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.376 2.923 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.085 4.545 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.855 4.622 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.581 5.660 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.709 4.089 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.095 2.576 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.453 1.909 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.168 2.132 -1.656 1.00 0.00 H new ATOM 877 N ILE A 61 -3.689 3.636 -3.723 1.00 0.00 N ATOM 878 CA ILE A 61 -4.828 3.100 -4.448 1.00 0.00 C ATOM 879 C ILE A 61 -4.527 1.661 -4.871 1.00 0.00 C ATOM 880 O ILE A 61 -3.576 1.413 -5.610 1.00 0.00 O ATOM 881 CB ILE A 61 -5.201 4.018 -5.613 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.942 5.261 -5.117 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.002 3.260 -6.674 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.939 6.363 -6.179 1.00 0.00 C ATOM 0 H ILE A 61 -2.781 3.421 -4.136 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.707 3.066 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.280 4.359 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.969 4.999 -4.863 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.472 5.629 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.254 3.936 -7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.405 2.433 -7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.918 2.871 -6.229 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.472 7.235 -5.800 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.911 6.640 -6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.431 6.000 -7.081 1.00 0.00 H new ATOM 896 N ALA A 62 -5.355 0.749 -4.383 1.00 0.00 N ATOM 897 CA ALA A 62 -5.190 -0.659 -4.701 1.00 0.00 C ATOM 898 C ALA A 62 -5.649 -0.910 -6.138 1.00 0.00 C ATOM 899 O ALA A 62 -6.778 -0.580 -6.500 1.00 0.00 O ATOM 900 CB ALA A 62 -5.961 -1.506 -3.686 1.00 0.00 C ATOM 0 H ALA A 62 -6.143 0.958 -3.769 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.141 -0.947 -4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.837 -2.562 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.577 -1.313 -2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.019 -1.247 -3.725 1.00 0.00 H new ATOM 906 N ASP A 63 -4.751 -1.492 -6.920 1.00 0.00 N ATOM 907 CA ASP A 63 -5.049 -1.791 -8.310 1.00 0.00 C ATOM 908 C ASP A 63 -4.905 -3.296 -8.546 1.00 0.00 C ATOM 909 O ASP A 63 -3.835 -3.768 -8.925 1.00 0.00 O ATOM 910 CB ASP A 63 -4.080 -1.070 -9.249 1.00 0.00 C ATOM 911 CG ASP A 63 -4.715 0.005 -10.133 1.00 0.00 C ATOM 912 OD1 ASP A 63 -5.749 0.558 -9.700 1.00 0.00 O ATOM 913 OD2 ASP A 63 -4.153 0.249 -11.222 1.00 0.00 O ATOM 0 H ASP A 63 -3.816 -1.764 -6.617 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.066 -1.457 -8.516 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.294 -0.609 -8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.601 -1.810 -9.890 1.00 0.00 H new ATOM 918 N PRO A 64 -6.028 -4.025 -8.304 1.00 0.00 N ATOM 919 CA PRO A 64 -6.036 -5.467 -8.487 1.00 0.00 C ATOM 920 C PRO A 64 -6.077 -5.832 -9.972 1.00 0.00 C ATOM 921 O PRO A 64 -6.101 -7.010 -10.325 1.00 0.00 O ATOM 922 CB PRO A 64 -7.257 -5.952 -7.722 1.00 0.00 C ATOM 923 CG PRO A 64 -8.143 -4.731 -7.532 1.00 0.00 C ATOM 924 CD PRO A 64 -7.313 -3.499 -7.854 1.00 0.00 C ATOM 0 HA PRO A 64 -5.131 -5.944 -8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.780 -6.732 -8.276 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.971 -6.380 -6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.014 -4.786 -8.185 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.514 -4.684 -6.508 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.786 -2.894 -8.628 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.195 -2.861 -6.978 1.00 0.00 H new ATOM 932 N GLU A 65 -6.083 -4.799 -10.802 1.00 0.00 N ATOM 933 CA GLU A 65 -6.119 -4.996 -12.241 1.00 0.00 C ATOM 934 C GLU A 65 -4.835 -5.678 -12.717 1.00 0.00 C ATOM 935 O GLU A 65 -4.884 -6.629 -13.495 1.00 0.00 O ATOM 936 CB GLU A 65 -6.338 -3.669 -12.971 1.00 0.00 C ATOM 937 CG GLU A 65 -7.805 -3.500 -13.373 1.00 0.00 C ATOM 938 CD GLU A 65 -8.367 -2.176 -12.851 1.00 0.00 C ATOM 939 OE1 GLU A 65 -8.751 -2.152 -11.662 1.00 0.00 O ATOM 940 OE2 GLU A 65 -8.401 -1.218 -13.654 1.00 0.00 O ATOM 0 H GLU A 65 -6.064 -3.823 -10.505 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.961 -5.647 -12.477 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.036 -2.842 -12.328 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.707 -3.630 -13.859 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.895 -3.534 -14.459 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.392 -4.329 -12.978 1.00 0.00 H new ATOM 947 N SER A 66 -3.715 -5.164 -12.229 1.00 0.00 N ATOM 948 CA SER A 66 -2.419 -5.712 -12.594 1.00 0.00 C ATOM 949 C SER A 66 -1.516 -5.786 -11.362 1.00 0.00 C ATOM 950 O SER A 66 -0.296 -5.678 -11.474 1.00 0.00 O ATOM 951 CB SER A 66 -1.756 -4.873 -13.688 1.00 0.00 C ATOM 952 OG SER A 66 -2.357 -5.086 -14.963 1.00 0.00 O ATOM 0 H SER A 66 -3.678 -4.374 -11.584 1.00 0.00 H new ATOM 0 HA SER A 66 -2.571 -6.718 -12.986 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.825 -3.817 -13.427 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.696 -5.120 -13.741 1.00 0.00 H new ATOM 0 HG SER A 66 -1.907 -4.531 -15.634 1.00 0.00 H new ATOM 958 N ARG A 67 -2.151 -5.970 -10.213 1.00 0.00 N ATOM 959 CA ARG A 67 -1.420 -6.060 -8.960 1.00 0.00 C ATOM 960 C ARG A 67 -0.490 -4.855 -8.800 1.00 0.00 C ATOM 961 O ARG A 67 0.695 -5.015 -8.515 1.00 0.00 O ATOM 962 CB ARG A 67 -0.592 -7.346 -8.897 1.00 0.00 C ATOM 963 CG ARG A 67 -1.497 -8.577 -8.812 1.00 0.00 C ATOM 964 CD ARG A 67 -1.649 -9.240 -10.183 1.00 0.00 C ATOM 965 NE ARG A 67 -2.776 -10.200 -10.158 1.00 0.00 N ATOM 966 CZ ARG A 67 -3.084 -11.023 -11.169 1.00 0.00 C ATOM 967 NH1 ARG A 67 -2.351 -11.009 -12.291 1.00 0.00 N ATOM 968 NH2 ARG A 67 -4.124 -11.860 -11.059 1.00 0.00 N ATOM 0 H ARG A 67 -3.163 -6.059 -10.124 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.150 -6.070 -8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.043 -7.417 -9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.069 -7.315 -8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.080 -9.292 -8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.477 -8.287 -8.433 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.823 -8.481 -10.946 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.727 -9.756 -10.451 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.354 -10.237 -9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.559 -10.372 -12.375 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.585 -11.636 -13.061 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.682 -11.871 -10.205 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.358 -12.486 -11.829 1.00 0.00 H new ATOM 982 N THR A 68 -1.064 -3.676 -8.991 1.00 0.00 N ATOM 983 CA THR A 68 -0.302 -2.445 -8.871 1.00 0.00 C ATOM 984 C THR A 68 -0.962 -1.506 -7.860 1.00 0.00 C ATOM 985 O THR A 68 -2.023 -1.815 -7.321 1.00 0.00 O ATOM 986 CB THR A 68 -0.166 -1.836 -10.268 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.420 -2.105 -10.888 1.00 0.00 O ATOM 988 CG2 THR A 68 0.848 -2.583 -11.137 1.00 0.00 C ATOM 0 H THR A 68 -2.048 -3.547 -9.228 1.00 0.00 H new ATOM 0 HA THR A 68 0.699 -2.635 -8.485 1.00 0.00 H new ATOM 0 HB THR A 68 0.132 -0.791 -10.180 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.419 -1.742 -11.798 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.906 -2.110 -12.117 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.828 -2.552 -10.661 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.534 -3.620 -11.253 1.00 0.00 H new ATOM 996 N VAL A 69 -0.306 -0.377 -7.633 1.00 0.00 N ATOM 997 CA VAL A 69 -0.816 0.610 -6.697 1.00 0.00 C ATOM 998 C VAL A 69 -0.356 2.003 -7.130 1.00 0.00 C ATOM 999 O VAL A 69 0.772 2.174 -7.588 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.381 0.253 -5.273 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -0.798 1.343 -4.284 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -0.939 -1.109 -4.855 1.00 0.00 C ATOM 0 H VAL A 69 0.575 -0.124 -8.082 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.906 0.612 -6.700 1.00 0.00 H new ATOM 0 HB VAL A 69 0.707 0.187 -5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.477 1.065 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.332 2.287 -4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.882 1.454 -4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.615 -1.339 -3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.028 -1.083 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.572 -1.877 -5.536 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.255 2.964 -6.971 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.956 4.337 -7.340 1.00 0.00 C ATOM 1014 C ALA A 70 -0.697 5.156 -6.074 1.00 0.00 C ATOM 1015 O ALA A 70 -1.406 5.009 -5.079 1.00 0.00 O ATOM 1016 CB ALA A 70 -2.107 4.903 -8.175 1.00 0.00 C ATOM 0 H ALA A 70 -2.191 2.818 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.055 4.383 -7.952 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.883 5.933 -8.452 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.231 4.303 -9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.027 4.876 -7.592 1.00 0.00 H new ATOM 1022 N VAL A 71 0.320 6.001 -6.152 1.00 0.00 N ATOM 1023 CA VAL A 71 0.681 6.844 -5.025 1.00 0.00 C ATOM 1024 C VAL A 71 0.854 8.286 -5.507 1.00 0.00 C ATOM 1025 O VAL A 71 1.584 8.542 -6.463 1.00 0.00 O ATOM 1026 CB VAL A 71 1.931 6.290 -4.337 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.295 7.125 -3.107 1.00 0.00 C ATOM 1028 CG2 VAL A 71 1.744 4.818 -3.965 1.00 0.00 C ATOM 0 H VAL A 71 0.906 6.120 -6.978 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.113 6.844 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 71 2.759 6.355 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.186 6.710 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.490 8.154 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.468 7.107 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.646 4.448 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.898 4.719 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.554 4.236 -4.867 1.00 0.00 H new ATOM 1038 N LYS A 72 0.169 9.191 -4.822 1.00 0.00 N ATOM 1039 CA LYS A 72 0.238 10.600 -5.168 1.00 0.00 C ATOM 1040 C LYS A 72 0.552 11.415 -3.911 1.00 0.00 C ATOM 1041 O LYS A 72 -0.178 11.344 -2.923 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.043 11.039 -5.881 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.001 12.533 -6.212 1.00 0.00 C ATOM 1044 CD LYS A 72 -1.979 12.872 -7.339 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.351 13.250 -6.779 1.00 0.00 C ATOM 1046 NZ LYS A 72 -4.150 12.036 -6.502 1.00 0.00 N ATOM 0 H LYS A 72 -0.436 8.975 -4.030 1.00 0.00 H new ATOM 0 HA LYS A 72 1.048 10.780 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.169 10.463 -6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.906 10.827 -5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.249 13.113 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.010 12.816 -6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.584 13.697 -7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.078 12.018 -8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.230 13.829 -5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.878 13.885 -7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.155 12.232 -6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.830 11.262 -7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.027 11.759 -5.507 1.00 0.00 H new ATOM 1060 N GLN A 73 1.638 12.169 -3.990 1.00 0.00 N ATOM 1061 CA GLN A 73 2.057 12.996 -2.871 1.00 0.00 C ATOM 1062 C GLN A 73 1.122 14.198 -2.719 1.00 0.00 C ATOM 1063 O GLN A 73 0.994 15.009 -3.635 1.00 0.00 O ATOM 1064 CB GLN A 73 3.509 13.449 -3.037 1.00 0.00 C ATOM 1065 CG GLN A 73 3.855 14.558 -2.042 1.00 0.00 C ATOM 1066 CD GLN A 73 5.370 14.718 -1.904 1.00 0.00 C ATOM 1067 OE1 GLN A 73 6.118 13.756 -1.835 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.780 15.982 -1.867 1.00 0.00 N ATOM 0 H GLN A 73 2.241 12.225 -4.811 1.00 0.00 H new ATOM 0 HA GLN A 73 1.999 12.398 -1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.177 12.601 -2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.668 13.806 -4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.415 15.499 -2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.420 14.328 -1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.101 16.740 -1.930 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.774 16.193 -1.776 1.00 0.00 H new ATOM 1077 N LEU A 74 0.492 14.274 -1.556 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.427 15.363 -1.272 1.00 0.00 C ATOM 1079 C LEU A 74 0.055 16.123 -0.036 1.00 0.00 C ATOM 1080 O LEU A 74 -0.660 16.972 0.494 1.00 0.00 O ATOM 1081 CB LEU A 74 -1.859 14.837 -1.151 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.198 13.613 -2.003 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -2.806 12.500 -1.146 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -3.106 13.994 -3.174 1.00 0.00 C ATOM 0 H LEU A 74 0.600 13.599 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.441 16.074 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.047 14.591 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.544 15.642 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.272 13.225 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.038 11.641 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.094 12.203 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.720 12.862 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.332 13.105 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.033 14.421 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.601 14.728 -3.802 1.00 0.00 H new ATOM 1096 N GLY A 75 1.266 15.791 0.389 1.00 0.00 N ATOM 1097 CA GLY A 75 1.852 16.433 1.553 1.00 0.00 C ATOM 1098 C GLY A 75 2.915 17.453 1.140 1.00 0.00 C ATOM 1099 O GLY A 75 2.830 18.042 0.064 1.00 0.00 O ATOM 0 H GLY A 75 1.857 15.086 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.072 16.929 2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.299 15.680 2.202 1.00 0.00 H new ATOM 1103 N VAL A 76 3.893 17.629 2.018 1.00 0.00 N ATOM 1104 CA VAL A 76 4.971 18.568 1.758 1.00 0.00 C ATOM 1105 C VAL A 76 6.278 17.796 1.565 1.00 0.00 C ATOM 1106 O VAL A 76 6.980 17.995 0.575 1.00 0.00 O ATOM 1107 CB VAL A 76 5.047 19.602 2.883 1.00 0.00 C ATOM 1108 CG1 VAL A 76 5.431 18.942 4.209 1.00 0.00 C ATOM 1109 CG2 VAL A 76 6.021 20.727 2.528 1.00 0.00 C ATOM 0 H VAL A 76 3.961 17.137 2.909 1.00 0.00 H new ATOM 0 HA VAL A 76 4.782 19.122 0.838 1.00 0.00 H new ATOM 0 HB VAL A 76 4.057 20.041 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.478 19.699 4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.684 18.193 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.405 18.463 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.056 21.449 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.016 20.310 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.686 21.225 1.618 1.00 0.00 H new ATOM 1119 N ASN A 77 6.564 16.931 2.527 1.00 0.00 N ATOM 1120 CA ASN A 77 7.774 16.129 2.476 1.00 0.00 C ATOM 1121 C ASN A 77 7.699 15.176 1.281 1.00 0.00 C ATOM 1122 O ASN A 77 6.637 14.631 0.983 1.00 0.00 O ATOM 1123 CB ASN A 77 7.930 15.286 3.743 1.00 0.00 C ATOM 1124 CG ASN A 77 8.419 16.141 4.914 1.00 0.00 C ATOM 1125 OD1 ASN A 77 9.606 16.282 5.161 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.442 16.703 5.619 1.00 0.00 N ATOM 0 H ASN A 77 5.978 16.768 3.346 1.00 0.00 H new ATOM 0 HA ASN A 77 8.624 16.806 2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.975 14.826 3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.636 14.476 3.560 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.666 17.293 6.420 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.469 16.544 5.359 1.00 0.00 H new ATOM 1133 N PRO A 78 8.870 14.999 0.612 1.00 0.00 N ATOM 1134 CA PRO A 78 8.947 14.122 -0.543 1.00 0.00 C ATOM 1135 C PRO A 78 8.928 12.652 -0.118 1.00 0.00 C ATOM 1136 O PRO A 78 9.648 12.258 0.798 1.00 0.00 O ATOM 1137 CB PRO A 78 10.231 14.518 -1.254 1.00 0.00 C ATOM 1138 CG PRO A 78 11.058 15.276 -0.228 1.00 0.00 C ATOM 1139 CD PRO A 78 10.147 15.628 0.937 1.00 0.00 C ATOM 0 HA PRO A 78 8.090 14.228 -1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.765 13.639 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.020 15.141 -2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.895 14.667 0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.480 16.179 -0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.545 15.251 1.879 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.041 16.707 1.045 1.00 0.00 H new ATOM 1147 N SER A 79 8.097 11.882 -0.804 1.00 0.00 N ATOM 1148 CA SER A 79 7.975 10.464 -0.509 1.00 0.00 C ATOM 1149 C SER A 79 8.839 9.652 -1.476 1.00 0.00 C ATOM 1150 O SER A 79 9.200 10.136 -2.548 1.00 0.00 O ATOM 1151 CB SER A 79 6.516 10.008 -0.591 1.00 0.00 C ATOM 1152 OG SER A 79 5.804 10.280 0.613 1.00 0.00 O ATOM 0 H SER A 79 7.501 12.213 -1.563 1.00 0.00 H new ATOM 0 HA SER A 79 8.324 10.295 0.510 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.025 10.511 -1.424 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.481 8.939 -0.799 1.00 0.00 H new ATOM 0 HG SER A 79 6.214 9.787 1.354 1.00 0.00 H new ATOM 1158 N THR A 80 9.147 8.432 -1.061 1.00 0.00 N ATOM 1159 CA THR A 80 9.963 7.548 -1.877 1.00 0.00 C ATOM 1160 C THR A 80 9.200 6.260 -2.194 1.00 0.00 C ATOM 1161 O THR A 80 8.980 5.432 -1.312 1.00 0.00 O ATOM 1162 CB THR A 80 11.281 7.307 -1.140 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.800 8.616 -0.920 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.332 6.633 -2.024 1.00 0.00 C ATOM 0 H THR A 80 8.847 8.035 -0.171 1.00 0.00 H new ATOM 0 HA THR A 80 10.192 8.000 -2.842 1.00 0.00 H new ATOM 0 HB THR A 80 11.097 6.690 -0.261 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.655 8.553 -0.445 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.248 6.485 -1.452 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.957 5.668 -2.364 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.541 7.265 -2.887 1.00 0.00 H new ATOM 1172 N VAL A 81 8.818 6.132 -3.456 1.00 0.00 N ATOM 1173 CA VAL A 81 8.084 4.960 -3.901 1.00 0.00 C ATOM 1174 C VAL A 81 9.071 3.918 -4.433 1.00 0.00 C ATOM 1175 O VAL A 81 9.260 3.799 -5.643 1.00 0.00 O ATOM 1176 CB VAL A 81 7.027 5.363 -4.931 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.579 4.156 -5.758 1.00 0.00 C ATOM 1178 CG2 VAL A 81 5.832 6.038 -4.254 1.00 0.00 C ATOM 0 H VAL A 81 9.003 6.821 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 81 7.548 4.506 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 81 7.479 6.085 -5.611 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.828 4.470 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.437 3.736 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.153 3.400 -5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.095 6.315 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.380 5.348 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.168 6.933 -3.730 1.00 0.00 H new ATOM 1188 N GLY A 82 9.673 3.191 -3.504 1.00 0.00 N ATOM 1189 CA GLY A 82 10.635 2.163 -3.864 1.00 0.00 C ATOM 1190 C GLY A 82 12.068 2.669 -3.690 1.00 0.00 C ATOM 1191 O GLY A 82 12.612 2.637 -2.587 1.00 0.00 O ATOM 0 H GLY A 82 9.513 3.293 -2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.479 1.281 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.476 1.857 -4.898 1.00 0.00 H new ATOM 1195 N VAL A 83 12.639 3.125 -4.796 1.00 0.00 N ATOM 1196 CA VAL A 83 13.999 3.637 -4.779 1.00 0.00 C ATOM 1197 C VAL A 83 14.050 4.961 -5.545 1.00 0.00 C ATOM 1198 O VAL A 83 15.120 5.396 -5.968 1.00 0.00 O ATOM 1199 CB VAL A 83 14.961 2.586 -5.337 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.746 2.389 -6.839 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.414 2.957 -5.035 1.00 0.00 C ATOM 0 H VAL A 83 12.185 3.150 -5.709 1.00 0.00 H new ATOM 0 HA VAL A 83 14.318 3.840 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 83 14.747 1.639 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.442 1.637 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.723 2.058 -7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.919 3.332 -7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 83 17.077 2.194 -5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.646 3.920 -5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.556 3.023 -3.956 1.00 0.00 H new ATOM 1211 N GLN A 84 12.880 5.564 -5.699 1.00 0.00 N ATOM 1212 CA GLN A 84 12.778 6.829 -6.407 1.00 0.00 C ATOM 1213 C GLN A 84 12.091 7.875 -5.527 1.00 0.00 C ATOM 1214 O GLN A 84 11.133 7.564 -4.821 1.00 0.00 O ATOM 1215 CB GLN A 84 12.038 6.657 -7.734 1.00 0.00 C ATOM 1216 CG GLN A 84 11.625 8.012 -8.312 1.00 0.00 C ATOM 1217 CD GLN A 84 11.541 7.955 -9.839 1.00 0.00 C ATOM 1218 OE1 GLN A 84 12.063 7.059 -10.482 1.00 0.00 O ATOM 1219 NE2 GLN A 84 10.856 8.958 -10.380 1.00 0.00 N ATOM 0 H GLN A 84 11.995 5.200 -5.346 1.00 0.00 H new ATOM 0 HA GLN A 84 13.785 7.178 -6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.677 6.134 -8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.154 6.037 -7.584 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.659 8.307 -7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.345 8.774 -8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.445 9.675 -9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.742 9.010 -11.392 1.00 0.00 H new ATOM 1228 N GLU A 85 12.608 9.093 -5.597 1.00 0.00 N ATOM 1229 CA GLU A 85 12.056 10.186 -4.816 1.00 0.00 C ATOM 1230 C GLU A 85 10.871 10.818 -5.550 1.00 0.00 C ATOM 1231 O GLU A 85 10.889 10.942 -6.774 1.00 0.00 O ATOM 1232 CB GLU A 85 13.127 11.232 -4.503 1.00 0.00 C ATOM 1233 CG GLU A 85 13.087 11.634 -3.027 1.00 0.00 C ATOM 1234 CD GLU A 85 14.492 11.938 -2.504 1.00 0.00 C ATOM 1235 OE1 GLU A 85 15.148 10.978 -2.045 1.00 0.00 O ATOM 1236 OE2 GLU A 85 14.879 13.125 -2.574 1.00 0.00 O ATOM 0 H GLU A 85 13.403 9.347 -6.183 1.00 0.00 H new ATOM 0 HA GLU A 85 11.699 9.784 -3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.112 10.834 -4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.974 12.112 -5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.451 12.510 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.642 10.831 -2.439 1.00 0.00 H new ATOM 1243 N LEU A 86 9.869 11.200 -4.772 1.00 0.00 N ATOM 1244 CA LEU A 86 8.678 11.816 -5.332 1.00 0.00 C ATOM 1245 C LEU A 86 8.730 13.326 -5.094 1.00 0.00 C ATOM 1246 O LEU A 86 9.713 13.841 -4.562 1.00 0.00 O ATOM 1247 CB LEU A 86 7.418 11.149 -4.777 1.00 0.00 C ATOM 1248 CG LEU A 86 7.025 9.817 -5.421 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.615 9.400 -4.998 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.173 9.879 -6.942 1.00 0.00 C ATOM 0 H LEU A 86 9.857 11.095 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 86 8.642 11.664 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.558 10.986 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.585 11.843 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 86 7.710 9.048 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.360 8.451 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.578 9.289 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.901 10.163 -5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.888 8.920 -7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.528 10.663 -7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.210 10.098 -7.198 1.00 0.00 H new ATOM 1262 N LYS A 87 7.660 13.994 -5.500 1.00 0.00 N ATOM 1263 CA LYS A 87 7.571 15.435 -5.338 1.00 0.00 C ATOM 1264 C LYS A 87 6.141 15.813 -4.946 1.00 0.00 C ATOM 1265 O LYS A 87 5.247 14.968 -4.957 1.00 0.00 O ATOM 1266 CB LYS A 87 8.073 16.148 -6.595 1.00 0.00 C ATOM 1267 CG LYS A 87 9.460 16.753 -6.366 1.00 0.00 C ATOM 1268 CD LYS A 87 10.153 17.054 -7.696 1.00 0.00 C ATOM 1269 CE LYS A 87 11.651 16.750 -7.615 1.00 0.00 C ATOM 1270 NZ LYS A 87 12.401 17.578 -8.585 1.00 0.00 N ATOM 0 H LYS A 87 6.847 13.564 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 87 8.222 15.768 -4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.112 15.443 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.372 16.934 -6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.369 17.670 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.070 16.063 -5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.700 16.459 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.004 18.101 -7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.013 16.944 -6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.825 15.693 -7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.415 17.359 -8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.067 17.373 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.249 18.585 -8.373 1.00 0.00 H new ATOM 1284 N PRO A 88 5.965 17.117 -4.601 1.00 0.00 N ATOM 1285 CA PRO A 88 4.659 17.616 -4.207 1.00 0.00 C ATOM 1286 C PRO A 88 3.744 17.778 -5.423 1.00 0.00 C ATOM 1287 O PRO A 88 3.962 18.657 -6.255 1.00 0.00 O ATOM 1288 CB PRO A 88 4.939 18.930 -3.495 1.00 0.00 C ATOM 1289 CG PRO A 88 6.337 19.346 -3.922 1.00 0.00 C ATOM 1290 CD PRO A 88 7.001 18.145 -4.578 1.00 0.00 C ATOM 0 HA PRO A 88 4.126 16.928 -3.551 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.205 19.687 -3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.881 18.808 -2.413 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.290 20.184 -4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.916 19.679 -3.061 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.345 18.383 -5.584 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.873 17.816 -4.012 1.00 0.00 H new ATOM 1298 N GLY A 89 2.740 16.916 -5.487 1.00 0.00 N ATOM 1299 CA GLY A 89 1.791 16.953 -6.587 1.00 0.00 C ATOM 1300 C GLY A 89 2.132 15.896 -7.640 1.00 0.00 C ATOM 1301 O GLY A 89 1.467 15.805 -8.670 1.00 0.00 O ATOM 0 H GLY A 89 2.563 16.188 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.783 16.783 -6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.797 17.942 -7.044 1.00 0.00 H new ATOM 1305 N LEU A 90 3.168 15.125 -7.344 1.00 0.00 N ATOM 1306 CA LEU A 90 3.605 14.078 -8.253 1.00 0.00 C ATOM 1307 C LEU A 90 2.820 12.797 -7.963 1.00 0.00 C ATOM 1308 O LEU A 90 2.149 12.695 -6.937 1.00 0.00 O ATOM 1309 CB LEU A 90 5.122 13.901 -8.175 1.00 0.00 C ATOM 1310 CG LEU A 90 5.816 13.480 -9.472 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.267 14.264 -10.666 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.335 13.612 -9.350 1.00 0.00 C ATOM 0 H LEU A 90 3.717 15.204 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 90 3.392 14.356 -9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.561 14.841 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.342 13.156 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 90 5.598 12.427 -9.649 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.777 13.946 -11.575 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.198 14.076 -10.764 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.435 15.330 -10.510 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.803 13.306 -10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.594 14.649 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.692 12.975 -8.541 1.00 0.00 H new ATOM 1324 N SER A 91 2.931 11.852 -8.885 1.00 0.00 N ATOM 1325 CA SER A 91 2.240 10.582 -8.742 1.00 0.00 C ATOM 1326 C SER A 91 3.105 9.450 -9.300 1.00 0.00 C ATOM 1327 O SER A 91 3.732 9.602 -10.348 1.00 0.00 O ATOM 1328 CB SER A 91 0.882 10.611 -9.447 1.00 0.00 C ATOM 1329 OG SER A 91 0.699 11.804 -10.204 1.00 0.00 O ATOM 0 H SER A 91 3.489 11.941 -9.734 1.00 0.00 H new ATOM 0 HA SER A 91 2.064 10.406 -7.681 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.797 9.747 -10.106 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.087 10.526 -8.706 1.00 0.00 H new ATOM 0 HG SER A 91 -0.178 11.783 -10.640 1.00 0.00 H new ATOM 1335 N GLY A 92 3.110 8.340 -8.577 1.00 0.00 N ATOM 1336 CA GLY A 92 3.888 7.183 -8.987 1.00 0.00 C ATOM 1337 C GLY A 92 3.074 5.896 -8.842 1.00 0.00 C ATOM 1338 O GLY A 92 1.866 5.944 -8.614 1.00 0.00 O ATOM 0 H GLY A 92 2.588 8.217 -7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.205 7.302 -10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.792 7.116 -8.382 1.00 0.00 H new ATOM 1342 N SER A 93 3.768 4.776 -8.979 1.00 0.00 N ATOM 1343 CA SER A 93 3.124 3.478 -8.866 1.00 0.00 C ATOM 1344 C SER A 93 3.969 2.550 -7.991 1.00 0.00 C ATOM 1345 O SER A 93 5.184 2.717 -7.895 1.00 0.00 O ATOM 1346 CB SER A 93 2.902 2.852 -10.244 1.00 0.00 C ATOM 1347 OG SER A 93 1.862 3.506 -10.966 1.00 0.00 O ATOM 0 H SER A 93 4.770 4.740 -9.167 1.00 0.00 H new ATOM 0 HA SER A 93 2.149 3.619 -8.400 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.828 2.901 -10.818 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.654 1.797 -10.127 1.00 0.00 H new ATOM 0 HG SER A 93 1.752 3.078 -11.841 1.00 0.00 H new ATOM 1353 N LEU A 94 3.292 1.592 -7.375 1.00 0.00 N ATOM 1354 CA LEU A 94 3.965 0.637 -6.511 1.00 0.00 C ATOM 1355 C LEU A 94 3.626 -0.784 -6.967 1.00 0.00 C ATOM 1356 O LEU A 94 2.459 -1.112 -7.172 1.00 0.00 O ATOM 1357 CB LEU A 94 3.625 0.909 -5.044 1.00 0.00 C ATOM 1358 CG LEU A 94 4.789 1.359 -4.159 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.662 2.841 -3.798 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.906 0.475 -2.915 1.00 0.00 C ATOM 0 H LEU A 94 2.284 1.457 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 94 5.046 0.749 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.849 1.674 -5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.199 0.002 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 94 5.713 1.243 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.502 3.135 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.664 3.439 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.729 3.005 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.741 0.816 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.984 0.536 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.077 -0.558 -3.218 1.00 0.00 H new ATOM 1372 N SER A 95 4.669 -1.588 -7.113 1.00 0.00 N ATOM 1373 CA SER A 95 4.497 -2.966 -7.542 1.00 0.00 C ATOM 1374 C SER A 95 4.451 -3.891 -6.324 1.00 0.00 C ATOM 1375 O SER A 95 4.818 -3.489 -5.221 1.00 0.00 O ATOM 1376 CB SER A 95 5.619 -3.392 -8.490 1.00 0.00 C ATOM 1377 OG SER A 95 5.741 -2.511 -9.603 1.00 0.00 O ATOM 0 H SER A 95 5.636 -1.312 -6.942 1.00 0.00 H new ATOM 0 HA SER A 95 3.554 -3.041 -8.083 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.563 -3.420 -7.945 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.427 -4.404 -8.848 1.00 0.00 H new ATOM 0 HG SER A 95 6.469 -2.816 -10.184 1.00 0.00 H new ATOM 1383 N LEU A 96 3.998 -5.112 -6.565 1.00 0.00 N ATOM 1384 CA LEU A 96 3.899 -6.097 -5.501 1.00 0.00 C ATOM 1385 C LEU A 96 5.293 -6.362 -4.927 1.00 0.00 C ATOM 1386 O LEU A 96 6.108 -7.038 -5.552 1.00 0.00 O ATOM 1387 CB LEU A 96 3.191 -7.358 -6.002 1.00 0.00 C ATOM 1388 CG LEU A 96 1.738 -7.532 -5.557 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.074 -8.695 -6.297 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.645 -7.691 -4.039 1.00 0.00 C ATOM 0 H LEU A 96 3.695 -5.442 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 96 3.284 -5.717 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.219 -7.358 -7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.759 -8.227 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 96 1.189 -6.628 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.042 -8.797 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.090 -8.501 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.616 -9.617 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.601 -7.813 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.212 -8.569 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.055 -6.805 -3.555 1.00 0.00 H new ATOM 1402 N GLY A 97 5.523 -5.815 -3.742 1.00 0.00 N ATOM 1403 CA GLY A 97 6.803 -5.984 -3.076 1.00 0.00 C ATOM 1404 C GLY A 97 7.513 -4.640 -2.904 1.00 0.00 C ATOM 1405 O GLY A 97 8.341 -4.481 -2.009 1.00 0.00 O ATOM 0 H GLY A 97 4.844 -5.255 -3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.651 -6.447 -2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.432 -6.660 -3.655 1.00 0.00 H new ATOM 1409 N ASP A 98 7.163 -3.706 -3.777 1.00 0.00 N ATOM 1410 CA ASP A 98 7.756 -2.381 -3.734 1.00 0.00 C ATOM 1411 C ASP A 98 7.460 -1.738 -2.377 1.00 0.00 C ATOM 1412 O ASP A 98 6.455 -2.055 -1.743 1.00 0.00 O ATOM 1413 CB ASP A 98 7.171 -1.479 -4.822 1.00 0.00 C ATOM 1414 CG ASP A 98 7.864 -1.574 -6.182 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.364 -2.677 -6.489 1.00 0.00 O ATOM 1416 OD2 ASP A 98 7.878 -0.540 -6.886 1.00 0.00 O ATOM 0 H ASP A 98 6.476 -3.842 -4.518 1.00 0.00 H new ATOM 0 HA ASP A 98 8.829 -2.487 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.117 -1.726 -4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.217 -0.445 -4.479 1.00 0.00 H new ATOM 1421 N VAL A 99 8.353 -0.847 -1.972 1.00 0.00 N ATOM 1422 CA VAL A 99 8.200 -0.157 -0.703 1.00 0.00 C ATOM 1423 C VAL A 99 7.657 1.251 -0.955 1.00 0.00 C ATOM 1424 O VAL A 99 7.715 1.751 -2.077 1.00 0.00 O ATOM 1425 CB VAL A 99 9.527 -0.160 0.058 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.414 0.633 1.361 1.00 0.00 C ATOM 1427 CG2 VAL A 99 10.004 -1.589 0.325 1.00 0.00 C ATOM 0 H VAL A 99 9.186 -0.587 -2.501 1.00 0.00 H new ATOM 0 HA VAL A 99 7.478 -0.675 -0.071 1.00 0.00 H new ATOM 0 HB VAL A 99 10.273 0.330 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.371 0.615 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.143 1.665 1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.648 0.186 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.949 -1.562 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.259 -2.116 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.144 -2.109 -0.623 1.00 0.00 H new ATOM 1437 N LEU A 100 7.143 1.851 0.109 1.00 0.00 N ATOM 1438 CA LEU A 100 6.590 3.192 0.017 1.00 0.00 C ATOM 1439 C LEU A 100 6.877 3.947 1.316 1.00 0.00 C ATOM 1440 O LEU A 100 6.036 3.990 2.212 1.00 0.00 O ATOM 1441 CB LEU A 100 5.105 3.136 -0.347 1.00 0.00 C ATOM 1442 CG LEU A 100 4.340 4.458 -0.248 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.938 5.508 -1.187 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.846 4.247 -0.501 1.00 0.00 C ATOM 0 H LEU A 100 7.098 1.434 1.039 1.00 0.00 H new ATOM 0 HA LEU A 100 7.070 3.748 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.015 2.763 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.619 2.408 0.303 1.00 0.00 H new ATOM 0 HG LEU A 100 4.444 4.838 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.376 6.438 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.979 5.686 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.885 5.149 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.326 5.202 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.701 3.833 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.446 3.555 0.240 1.00 0.00 H new ATOM 1456 N TYR A 101 8.068 4.525 1.377 1.00 0.00 N ATOM 1457 CA TYR A 101 8.477 5.276 2.551 1.00 0.00 C ATOM 1458 C TYR A 101 7.538 6.458 2.800 1.00 0.00 C ATOM 1459 O TYR A 101 7.658 7.497 2.153 1.00 0.00 O ATOM 1460 CB TYR A 101 9.878 5.809 2.245 1.00 0.00 C ATOM 1461 CG TYR A 101 10.930 4.715 2.046 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.538 4.136 3.141 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.270 4.308 0.772 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.528 3.107 2.954 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.260 3.279 0.585 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.840 2.729 1.686 1.00 0.00 C ATOM 1467 OH TYR A 101 13.775 1.757 1.509 1.00 0.00 O ATOM 0 H TYR A 101 8.763 4.488 0.631 1.00 0.00 H new ATOM 0 HA TYR A 101 8.456 4.643 3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.833 6.424 1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.194 6.459 3.061 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.272 4.454 4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.794 4.761 -0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 101 13.012 2.646 3.802 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.536 2.951 -0.406 1.00 0.00 H new ATOM 0 HH TYR A 101 13.895 1.589 0.551 1.00 0.00 H new ATOM 1477 N LEU A 102 6.625 6.260 3.739 1.00 0.00 N ATOM 1478 CA LEU A 102 5.666 7.297 4.081 1.00 0.00 C ATOM 1479 C LEU A 102 6.358 8.660 4.037 1.00 0.00 C ATOM 1480 O LEU A 102 5.948 9.545 3.288 1.00 0.00 O ATOM 1481 CB LEU A 102 4.999 6.988 5.423 1.00 0.00 C ATOM 1482 CG LEU A 102 3.471 6.927 5.415 1.00 0.00 C ATOM 1483 CD1 LEU A 102 2.972 5.610 6.014 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.869 8.143 6.121 1.00 0.00 C ATOM 0 H LEU A 102 6.529 5.397 4.274 1.00 0.00 H new ATOM 0 HA LEU A 102 4.859 7.326 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.379 6.032 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.309 7.746 6.143 1.00 0.00 H new ATOM 0 HG LEU A 102 3.134 6.958 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.882 5.592 5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.358 4.775 5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.320 5.524 7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.781 8.074 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.212 8.170 7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.184 9.053 5.611 1.00 0.00 H new ATOM 1496 N VAL A 103 7.397 8.788 4.850 1.00 0.00 N ATOM 1497 CA VAL A 103 8.150 10.028 4.914 1.00 0.00 C ATOM 1498 C VAL A 103 9.505 9.764 5.574 1.00 0.00 C ATOM 1499 O VAL A 103 9.761 8.661 6.055 1.00 0.00 O ATOM 1500 CB VAL A 103 7.332 11.101 5.636 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.201 10.779 7.126 1.00 0.00 C ATOM 1502 CG2 VAL A 103 7.941 12.489 5.426 1.00 0.00 C ATOM 0 H VAL A 103 7.735 8.052 5.470 1.00 0.00 H new ATOM 0 HA VAL A 103 8.346 10.408 3.911 1.00 0.00 H new ATOM 0 HB VAL A 103 6.331 11.106 5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.615 11.557 7.616 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.702 9.818 7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.192 10.733 7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.340 13.233 5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.958 12.503 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.959 12.721 4.361 1.00 0.00 H new ATOM 1512 N ASN A 104 10.337 10.795 5.576 1.00 0.00 N ATOM 1513 CA ASN A 104 11.659 10.688 6.169 1.00 0.00 C ATOM 1514 C ASN A 104 12.287 9.352 5.767 1.00 0.00 C ATOM 1515 O ASN A 104 12.991 8.729 6.561 1.00 0.00 O ATOM 1516 CB ASN A 104 11.583 10.735 7.696 1.00 0.00 C ATOM 1517 CG ASN A 104 12.434 11.878 8.253 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.640 11.773 8.403 1.00 0.00 O ATOM 1519 ND2 ASN A 104 11.740 12.974 8.549 1.00 0.00 N ATOM 0 H ASN A 104 10.121 11.708 5.176 1.00 0.00 H new ATOM 0 HA ASN A 104 12.258 11.526 5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.547 10.863 8.008 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.926 9.787 8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.217 13.793 8.926 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.731 12.995 8.399 1.00 0.00 H new ATOM 1526 N GLY A 105 12.011 8.952 4.535 1.00 0.00 N ATOM 1527 CA GLY A 105 12.540 7.701 4.018 1.00 0.00 C ATOM 1528 C GLY A 105 12.361 6.569 5.032 1.00 0.00 C ATOM 1529 O GLY A 105 13.087 5.577 4.994 1.00 0.00 O ATOM 0 H GLY A 105 11.428 9.472 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.033 7.444 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.598 7.819 3.782 1.00 0.00 H new ATOM 1533 N LEU A 106 11.390 6.756 5.914 1.00 0.00 N ATOM 1534 CA LEU A 106 11.106 5.763 6.936 1.00 0.00 C ATOM 1535 C LEU A 106 9.668 5.267 6.774 1.00 0.00 C ATOM 1536 O LEU A 106 9.003 5.593 5.792 1.00 0.00 O ATOM 1537 CB LEU A 106 11.410 6.324 8.327 1.00 0.00 C ATOM 1538 CG LEU A 106 12.890 6.418 8.703 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.060 6.937 10.133 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.595 5.077 8.493 1.00 0.00 C ATOM 0 H LEU A 106 10.790 7.580 5.942 1.00 0.00 H new ATOM 0 HA LEU A 106 11.757 4.897 6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.973 7.320 8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.906 5.701 9.066 1.00 0.00 H new ATOM 0 HG LEU A 106 13.366 7.140 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.121 6.994 10.375 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.615 7.928 10.216 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.565 6.258 10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.646 5.171 8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.124 4.317 9.116 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.519 4.786 7.445 1.00 0.00 H new ATOM 1552 N TYR A 107 9.231 4.488 7.752 1.00 0.00 N ATOM 1553 CA TYR A 107 7.883 3.944 7.730 1.00 0.00 C ATOM 1554 C TYR A 107 7.524 3.427 6.336 1.00 0.00 C ATOM 1555 O TYR A 107 6.566 3.896 5.723 1.00 0.00 O ATOM 1556 CB TYR A 107 6.954 5.106 8.085 1.00 0.00 C ATOM 1557 CG TYR A 107 7.556 6.105 9.075 1.00 0.00 C ATOM 1558 CD1 TYR A 107 8.023 5.668 10.298 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.632 7.443 8.746 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.590 6.608 11.231 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.199 8.383 9.678 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.650 7.919 10.874 1.00 0.00 C ATOM 1563 OH TYR A 107 9.185 8.806 11.755 1.00 0.00 O ATOM 0 H TYR A 107 9.786 4.220 8.565 1.00 0.00 H new ATOM 0 HA TYR A 107 7.794 3.110 8.426 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.684 5.634 7.171 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.032 4.705 8.505 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.963 4.621 10.556 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.266 7.785 7.789 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.959 6.279 12.191 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.265 9.433 9.433 1.00 0.00 H new ATOM 0 HH TYR A 107 9.164 9.706 11.367 1.00 0.00 H new ATOM 1573 N PRO A 108 8.332 2.440 5.863 1.00 0.00 N ATOM 1574 CA PRO A 108 8.109 1.854 4.552 1.00 0.00 C ATOM 1575 C PRO A 108 6.907 0.907 4.573 1.00 0.00 C ATOM 1576 O PRO A 108 6.776 0.084 5.477 1.00 0.00 O ATOM 1577 CB PRO A 108 9.412 1.152 4.208 1.00 0.00 C ATOM 1578 CG PRO A 108 10.151 0.975 5.525 1.00 0.00 C ATOM 1579 CD PRO A 108 9.475 1.859 6.560 1.00 0.00 C ATOM 0 HA PRO A 108 7.861 2.598 3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.223 0.189 3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.001 1.743 3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.127 -0.068 5.839 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.200 1.250 5.414 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.157 1.281 7.428 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.152 2.632 6.923 1.00 0.00 H new ATOM 1587 N LEU A 109 6.059 1.056 3.565 1.00 0.00 N ATOM 1588 CA LEU A 109 4.873 0.224 3.456 1.00 0.00 C ATOM 1589 C LEU A 109 5.024 -0.719 2.261 1.00 0.00 C ATOM 1590 O LEU A 109 4.887 -0.299 1.113 1.00 0.00 O ATOM 1591 CB LEU A 109 3.614 1.092 3.399 1.00 0.00 C ATOM 1592 CG LEU A 109 3.144 1.680 4.732 1.00 0.00 C ATOM 1593 CD1 LEU A 109 2.848 0.573 5.746 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.154 2.695 5.269 1.00 0.00 C ATOM 0 H LEU A 109 6.170 1.740 2.817 1.00 0.00 H new ATOM 0 HA LEU A 109 4.763 -0.400 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.794 1.913 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.803 0.495 2.982 1.00 0.00 H new ATOM 0 HG LEU A 109 2.210 2.215 4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.516 1.018 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.065 -0.078 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.752 -0.011 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.796 3.098 6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.115 2.205 5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.271 3.507 4.551 1.00 0.00 H new ATOM 1606 N THR A 110 5.306 -1.976 2.572 1.00 0.00 N ATOM 1607 CA THR A 110 5.477 -2.982 1.537 1.00 0.00 C ATOM 1608 C THR A 110 4.117 -3.437 1.005 1.00 0.00 C ATOM 1609 O THR A 110 3.229 -3.789 1.781 1.00 0.00 O ATOM 1610 CB THR A 110 6.314 -4.122 2.121 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.647 -3.619 2.103 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.364 -5.342 1.200 1.00 0.00 C ATOM 0 H THR A 110 5.420 -2.321 3.525 1.00 0.00 H new ATOM 0 HA THR A 110 6.008 -2.577 0.675 1.00 0.00 H new ATOM 0 HB THR A 110 5.905 -4.414 3.088 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.257 -4.295 2.467 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.970 -6.122 1.661 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.353 -5.717 1.037 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.804 -5.058 0.244 1.00 0.00 H new ATOM 1620 N LEU A 111 3.996 -3.415 -0.314 1.00 0.00 N ATOM 1621 CA LEU A 111 2.759 -3.821 -0.959 1.00 0.00 C ATOM 1622 C LEU A 111 2.718 -5.347 -1.059 1.00 0.00 C ATOM 1623 O LEU A 111 3.681 -5.970 -1.506 1.00 0.00 O ATOM 1624 CB LEU A 111 2.599 -3.112 -2.305 1.00 0.00 C ATOM 1625 CG LEU A 111 1.610 -3.748 -3.285 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.227 -3.897 -2.648 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.556 -2.962 -4.596 1.00 0.00 C ATOM 0 H LEU A 111 4.734 -3.122 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 111 1.900 -3.517 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.285 -2.085 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.576 -3.063 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 111 1.963 -4.751 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.457 -4.351 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.300 -4.531 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.149 -2.915 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.846 -3.435 -5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.239 -1.939 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.545 -2.951 -5.055 1.00 0.00 H new ATOM 1639 N ARG A 112 1.594 -5.907 -0.636 1.00 0.00 N ATOM 1640 CA ARG A 112 1.415 -7.348 -0.672 1.00 0.00 C ATOM 1641 C ARG A 112 0.094 -7.702 -1.357 1.00 0.00 C ATOM 1642 O ARG A 112 -0.760 -6.837 -1.552 1.00 0.00 O ATOM 1643 CB ARG A 112 1.425 -7.940 0.738 1.00 0.00 C ATOM 1644 CG ARG A 112 2.838 -7.936 1.325 1.00 0.00 C ATOM 1645 CD ARG A 112 3.684 -9.060 0.724 1.00 0.00 C ATOM 1646 NE ARG A 112 5.111 -8.855 1.060 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.056 -9.797 0.933 1.00 0.00 C ATOM 1648 NH1 ARG A 112 5.731 -11.014 0.478 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.325 -9.521 1.262 1.00 0.00 N ATOM 0 H ARG A 112 0.798 -5.388 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 112 2.246 -7.771 -1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.758 -7.366 1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.042 -8.960 0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.314 -6.975 1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.786 -8.054 2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.347 -10.024 1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.556 -9.083 -0.358 1.00 0.00 H new ATOM 0 HE ARG A 112 5.393 -7.939 1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.765 -11.224 0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.450 -11.731 0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.572 -8.594 1.609 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.044 -10.238 1.165 1.00 0.00 H new ATOM 1663 N TRP A 113 -0.034 -8.974 -1.704 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.238 -9.453 -2.363 1.00 0.00 C ATOM 1665 C TRP A 113 -1.558 -10.843 -1.811 1.00 0.00 C ATOM 1666 O TRP A 113 -0.704 -11.728 -1.814 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.073 -9.437 -3.884 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.061 -10.339 -4.626 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.082 -11.678 -4.673 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.179 -9.909 -5.432 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.127 -12.141 -5.446 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -3.815 -11.031 -5.922 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.638 -8.615 -5.735 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -4.946 -10.972 -6.746 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.769 -8.574 -6.559 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.421 -9.694 -7.062 1.00 0.00 C ATOM 0 H TRP A 113 0.676 -9.688 -1.541 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.081 -8.794 -2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.192 -8.414 -4.241 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.058 -9.746 -4.132 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.370 -12.315 -4.169 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.353 -13.118 -5.634 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.156 -7.723 -5.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.426 -11.865 -7.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.163 -7.604 -6.823 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.290 -9.579 -7.693 1.00 0.00 H new ATOM 1687 N SER A 114 -2.791 -10.992 -1.350 1.00 0.00 N ATOM 1688 CA SER A 114 -3.235 -12.260 -0.795 1.00 0.00 C ATOM 1689 C SER A 114 -3.482 -13.266 -1.921 1.00 0.00 C ATOM 1690 O SER A 114 -3.849 -12.883 -3.031 1.00 0.00 O ATOM 1691 CB SER A 114 -4.502 -12.081 0.044 1.00 0.00 C ATOM 1692 OG SER A 114 -5.223 -13.301 0.188 1.00 0.00 O ATOM 0 H SER A 114 -3.497 -10.256 -1.349 1.00 0.00 H new ATOM 0 HA SER A 114 -2.450 -12.641 -0.142 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.234 -11.700 1.029 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.144 -11.334 -0.423 1.00 0.00 H new ATOM 0 HG SER A 114 -6.024 -13.146 0.731 1.00 0.00 H new ATOM 1698 N GLY A 115 -3.271 -14.533 -1.597 1.00 0.00 N ATOM 1699 CA GLY A 115 -3.466 -15.596 -2.567 1.00 0.00 C ATOM 1700 C GLY A 115 -3.615 -16.952 -1.873 1.00 0.00 C ATOM 1701 O GLY A 115 -3.304 -17.085 -0.690 1.00 0.00 O ATOM 0 H GLY A 115 -2.967 -14.847 -0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.354 -15.390 -3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.620 -15.626 -3.254 1.00 0.00 H new ATOM 1705 N PRO A 116 -4.104 -17.949 -2.658 1.00 0.00 N ATOM 1706 CA PRO A 116 -4.298 -19.289 -2.131 1.00 0.00 C ATOM 1707 C PRO A 116 -2.961 -20.017 -1.978 1.00 0.00 C ATOM 1708 O PRO A 116 -2.768 -21.093 -2.543 1.00 0.00 O ATOM 1709 CB PRO A 116 -5.235 -19.968 -3.117 1.00 0.00 C ATOM 1710 CG PRO A 116 -5.161 -19.147 -4.394 1.00 0.00 C ATOM 1711 CD PRO A 116 -4.484 -17.828 -4.062 1.00 0.00 C ATOM 0 HA PRO A 116 -4.728 -19.289 -1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -4.932 -20.999 -3.297 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.254 -19.998 -2.730 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.599 -19.682 -5.160 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.160 -18.973 -4.794 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.613 -17.660 -4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.159 -16.986 -4.218 1.00 0.00 H new ATOM 1719 N SER A 117 -2.073 -19.402 -1.212 1.00 0.00 N ATOM 1720 CA SER A 117 -0.760 -19.978 -0.978 1.00 0.00 C ATOM 1721 C SER A 117 -0.198 -20.548 -2.282 1.00 0.00 C ATOM 1722 O SER A 117 -0.398 -21.723 -2.588 1.00 0.00 O ATOM 1723 CB SER A 117 -0.819 -21.068 0.095 1.00 0.00 C ATOM 1724 OG SER A 117 -1.065 -20.528 1.390 1.00 0.00 O ATOM 0 H SER A 117 -2.237 -18.510 -0.745 1.00 0.00 H new ATOM 0 HA SER A 117 -0.100 -19.188 -0.620 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.604 -21.782 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.121 -21.619 0.104 1.00 0.00 H new ATOM 0 HG SER A 117 -1.097 -21.255 2.047 1.00 0.00 H new ATOM 1730 N SER A 118 0.493 -19.689 -3.017 1.00 0.00 N ATOM 1731 CA SER A 118 1.085 -20.092 -4.281 1.00 0.00 C ATOM 1732 C SER A 118 1.993 -18.981 -4.812 1.00 0.00 C ATOM 1733 O SER A 118 1.599 -17.816 -4.847 1.00 0.00 O ATOM 1734 CB SER A 118 0.006 -20.433 -5.311 1.00 0.00 C ATOM 1735 OG SER A 118 0.327 -21.606 -6.053 1.00 0.00 O ATOM 0 H SER A 118 0.656 -18.715 -2.761 1.00 0.00 H new ATOM 0 HA SER A 118 1.681 -20.988 -4.109 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.948 -20.575 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.119 -19.594 -5.996 1.00 0.00 H new ATOM 0 HG SER A 118 -0.387 -21.791 -6.698 1.00 0.00 H new ATOM 1741 N GLY A 119 3.191 -19.380 -5.212 1.00 0.00 N ATOM 1742 CA GLY A 119 4.158 -18.432 -5.740 1.00 0.00 C ATOM 1743 C GLY A 119 3.479 -17.404 -6.647 1.00 0.00 C ATOM 1744 O GLY A 119 2.597 -17.749 -7.431 1.00 0.00 O ATOM 0 H GLY A 119 3.515 -20.347 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 119 4.659 -17.922 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 119 4.927 -18.965 -6.300 1.00 0.00 H new TER 1748 GLY A 119