USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 961 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 91 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot 98:sc= 0.908 USER MOD Set 2.1: A 44 HIS : no HE2:sc= -3.63! C(o=-5.2!,f=-5.8!) USER MOD Set 2.2: A 57 ASN : amide:sc= -1.4 K(o=-5.2,f=-7.3) USER MOD Set 2.3: A 74 LYS NZ :NH3+ -147:sc= -0.134 (180deg=-0.335) USER MOD Set 3.1: A 36 LYS NZ :NH3+ 160:sc= 0.662 (180deg=-0.137) USER MOD Set 3.2: A 71 SER OG : rot 95:sc= -0.0277 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 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.2 K(o=-1.2,f=-3.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 53 CYS SG : rot -64:sc= -0.866 USER MOD Single : A 55 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.11) USER MOD Single : A 56 MET CE :methyl -125:sc= -2.27 (180deg=-6.14!) USER MOD Single : A 60 MET CE :methyl -172:sc= -0.278 (180deg=-0.441) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 84 SER OG : rot 145:sc= -0.162 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 97:sc= 1.41 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -1.49 K(o=-1.5,f=-6.3!) USER MOD Single : A 101 SER OG : rot -52:sc= 0.149 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS :FLIP no HD1:sc= -0.0167 F(o=-0.98,f=-0.017) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 167:sc= 0.63 (180deg=0.382) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 122 HIS : no HD1:sc= -7.79! C(o=-7.8!,f=-8.4!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.122 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.691 5.221 -29.221 1.00 0.00 N ATOM 2 CA GLY A 1 -0.450 4.348 -30.355 1.00 0.00 C ATOM 3 C GLY A 1 -0.447 2.883 -29.968 1.00 0.00 C ATOM 4 O GLY A 1 0.309 2.467 -29.089 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.683 6.212 -29.538 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.617 4.999 -28.802 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.054 5.079 -28.509 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.216 4.519 -31.111 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.508 4.603 -30.809 1.00 0.00 H new ATOM 8 N SER A 2 -1.294 2.097 -30.625 1.00 0.00 N ATOM 9 CA SER A 2 -1.389 0.669 -30.341 1.00 0.00 C ATOM 10 C SER A 2 -0.028 -0.005 -30.482 1.00 0.00 C ATOM 11 O SER A 2 0.506 -0.127 -31.584 1.00 0.00 O ATOM 12 CB SER A 2 -2.399 0.007 -31.281 1.00 0.00 C ATOM 13 OG SER A 2 -3.645 0.681 -31.247 1.00 0.00 O ATOM 0 H SER A 2 -1.924 2.424 -31.357 1.00 0.00 H new ATOM 0 HA SER A 2 -1.729 0.550 -29.312 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.009 0.009 -32.299 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.538 -1.036 -30.995 1.00 0.00 H new ATOM 0 HG SER A 2 -4.272 0.240 -31.857 1.00 0.00 H new ATOM 19 N SER A 3 0.528 -0.441 -29.356 1.00 0.00 N ATOM 20 CA SER A 3 1.829 -1.100 -29.352 1.00 0.00 C ATOM 21 C SER A 3 2.058 -1.842 -28.038 1.00 0.00 C ATOM 22 O SER A 3 1.751 -1.330 -26.962 1.00 0.00 O ATOM 23 CB SER A 3 2.944 -0.076 -29.574 1.00 0.00 C ATOM 24 OG SER A 3 4.193 -0.716 -29.769 1.00 0.00 O ATOM 0 H SER A 3 0.098 -0.350 -28.435 1.00 0.00 H new ATOM 0 HA SER A 3 1.844 -1.825 -30.166 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.708 0.540 -30.442 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.005 0.592 -28.715 1.00 0.00 H new ATOM 0 HG SER A 3 4.888 -0.040 -29.910 1.00 0.00 H new ATOM 30 N GLY A 4 2.601 -3.052 -28.136 1.00 0.00 N ATOM 31 CA GLY A 4 2.862 -3.845 -26.949 1.00 0.00 C ATOM 32 C GLY A 4 3.044 -5.317 -27.264 1.00 0.00 C ATOM 33 O GLY A 4 2.097 -5.994 -27.663 1.00 0.00 O ATOM 0 H GLY A 4 2.864 -3.497 -29.015 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.757 -3.469 -26.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.036 -3.726 -26.247 1.00 0.00 H new ATOM 37 N SER A 5 4.264 -5.812 -27.086 1.00 0.00 N ATOM 38 CA SER A 5 4.569 -7.212 -27.360 1.00 0.00 C ATOM 39 C SER A 5 5.412 -7.813 -26.240 1.00 0.00 C ATOM 40 O SER A 5 6.443 -7.259 -25.858 1.00 0.00 O ATOM 41 CB SER A 5 5.304 -7.344 -28.695 1.00 0.00 C ATOM 42 OG SER A 5 4.554 -6.768 -29.750 1.00 0.00 O ATOM 0 H SER A 5 5.058 -5.265 -26.753 1.00 0.00 H new ATOM 0 HA SER A 5 3.628 -7.759 -27.416 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.277 -6.856 -28.628 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.489 -8.397 -28.909 1.00 0.00 H new ATOM 0 HG SER A 5 5.046 -6.864 -30.592 1.00 0.00 H new ATOM 48 N SER A 6 4.965 -8.951 -25.717 1.00 0.00 N ATOM 49 CA SER A 6 5.676 -9.627 -24.637 1.00 0.00 C ATOM 50 C SER A 6 5.532 -11.141 -24.757 1.00 0.00 C ATOM 51 O SER A 6 4.665 -11.638 -25.474 1.00 0.00 O ATOM 52 CB SER A 6 5.149 -9.158 -23.280 1.00 0.00 C ATOM 53 OG SER A 6 3.773 -9.461 -23.134 1.00 0.00 O ATOM 0 H SER A 6 4.115 -9.424 -26.023 1.00 0.00 H new ATOM 0 HA SER A 6 6.733 -9.373 -24.715 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.716 -9.636 -22.481 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.300 -8.083 -23.179 1.00 0.00 H new ATOM 0 HG SER A 6 3.461 -9.152 -22.258 1.00 0.00 H new ATOM 59 N GLY A 7 6.389 -11.869 -24.047 1.00 0.00 N ATOM 60 CA GLY A 7 6.341 -13.318 -24.087 1.00 0.00 C ATOM 61 C GLY A 7 5.145 -13.880 -23.344 1.00 0.00 C ATOM 62 O GLY A 7 4.910 -13.539 -22.185 1.00 0.00 O ATOM 0 H GLY A 7 7.115 -11.481 -23.445 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.308 -13.649 -25.125 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.256 -13.721 -23.653 1.00 0.00 H new ATOM 66 N MET A 8 4.386 -14.741 -24.013 1.00 0.00 N ATOM 67 CA MET A 8 3.206 -15.350 -23.409 1.00 0.00 C ATOM 68 C MET A 8 3.545 -15.961 -22.053 1.00 0.00 C ATOM 69 O MET A 8 4.529 -16.688 -21.918 1.00 0.00 O ATOM 70 CB MET A 8 2.628 -16.422 -24.334 1.00 0.00 C ATOM 71 CG MET A 8 1.832 -15.855 -25.498 1.00 0.00 C ATOM 72 SD MET A 8 2.879 -15.068 -26.738 1.00 0.00 S ATOM 73 CE MET A 8 1.752 -13.847 -27.407 1.00 0.00 C ATOM 0 H MET A 8 4.566 -15.033 -24.973 1.00 0.00 H new ATOM 0 HA MET A 8 2.460 -14.569 -23.261 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.443 -17.031 -24.724 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.985 -17.084 -23.753 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.260 -16.656 -25.966 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.113 -15.128 -25.121 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.255 -13.277 -28.188 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.880 -14.348 -27.827 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.434 -13.171 -26.613 1.00 0.00 H new ATOM 83 N ALA A 9 2.724 -15.660 -21.052 1.00 0.00 N ATOM 84 CA ALA A 9 2.936 -16.182 -19.707 1.00 0.00 C ATOM 85 C ALA A 9 2.472 -17.630 -19.600 1.00 0.00 C ATOM 86 O ALA A 9 1.279 -17.918 -19.696 1.00 0.00 O ATOM 87 CB ALA A 9 2.213 -15.317 -18.685 1.00 0.00 C ATOM 0 H ALA A 9 1.906 -15.058 -21.147 1.00 0.00 H new ATOM 0 HA ALA A 9 4.005 -16.155 -19.498 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.380 -15.718 -17.685 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.596 -14.298 -18.735 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.145 -15.314 -18.901 1.00 0.00 H new ATOM 93 N ALA A 10 3.422 -18.538 -19.403 1.00 0.00 N ATOM 94 CA ALA A 10 3.109 -19.957 -19.282 1.00 0.00 C ATOM 95 C ALA A 10 2.539 -20.278 -17.904 1.00 0.00 C ATOM 96 O ALA A 10 3.135 -19.944 -16.882 1.00 0.00 O ATOM 97 CB ALA A 10 4.350 -20.796 -19.550 1.00 0.00 C ATOM 0 H ALA A 10 4.415 -18.317 -19.324 1.00 0.00 H new ATOM 0 HA ALA A 10 2.351 -20.201 -20.026 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.102 -21.853 -19.456 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.713 -20.597 -20.558 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.125 -20.540 -18.828 1.00 0.00 H new ATOM 103 N GLY A 11 1.379 -20.928 -17.886 1.00 0.00 N ATOM 104 CA GLY A 11 0.747 -21.283 -16.628 1.00 0.00 C ATOM 105 C GLY A 11 -0.065 -20.143 -16.046 1.00 0.00 C ATOM 106 O GLY A 11 -1.134 -19.810 -16.556 1.00 0.00 O ATOM 0 H GLY A 11 0.866 -21.215 -18.719 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.099 -22.146 -16.781 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.512 -21.583 -15.912 1.00 0.00 H new ATOM 110 N ALA A 12 0.443 -19.544 -14.974 1.00 0.00 N ATOM 111 CA ALA A 12 -0.243 -18.435 -14.322 1.00 0.00 C ATOM 112 C ALA A 12 -0.234 -17.190 -15.203 1.00 0.00 C ATOM 113 O ALA A 12 0.623 -16.319 -15.054 1.00 0.00 O ATOM 114 CB ALA A 12 0.400 -18.136 -12.976 1.00 0.00 C ATOM 0 H ALA A 12 1.327 -19.808 -14.539 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.281 -18.726 -14.160 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.122 -17.306 -12.500 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.337 -19.018 -12.339 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.447 -17.870 -13.124 1.00 0.00 H new ATOM 120 N ALA A 13 -1.192 -17.114 -16.121 1.00 0.00 N ATOM 121 CA ALA A 13 -1.295 -15.975 -17.025 1.00 0.00 C ATOM 122 C ALA A 13 -2.078 -14.834 -16.384 1.00 0.00 C ATOM 123 O ALA A 13 -3.268 -14.663 -16.645 1.00 0.00 O ATOM 124 CB ALA A 13 -1.947 -16.396 -18.333 1.00 0.00 C ATOM 0 H ALA A 13 -1.908 -17.828 -16.258 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.287 -15.616 -17.234 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.017 -15.535 -18.998 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.345 -17.172 -18.806 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.946 -16.783 -18.133 1.00 0.00 H new ATOM 130 N GLU A 14 -1.402 -14.057 -15.543 1.00 0.00 N ATOM 131 CA GLU A 14 -2.037 -12.934 -14.864 1.00 0.00 C ATOM 132 C GLU A 14 -1.209 -11.662 -15.026 1.00 0.00 C ATOM 133 O GLU A 14 -0.107 -11.554 -14.490 1.00 0.00 O ATOM 134 CB GLU A 14 -2.225 -13.247 -13.378 1.00 0.00 C ATOM 135 CG GLU A 14 -2.767 -12.078 -12.573 1.00 0.00 C ATOM 136 CD GLU A 14 -4.282 -12.058 -12.521 1.00 0.00 C ATOM 137 OE1 GLU A 14 -4.857 -12.789 -11.688 1.00 0.00 O ATOM 138 OE2 GLU A 14 -4.893 -11.311 -13.314 1.00 0.00 O ATOM 0 H GLU A 14 -0.416 -14.185 -15.316 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.014 -12.772 -15.320 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.905 -14.093 -13.277 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.268 -13.555 -12.956 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.373 -12.127 -11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.410 -11.145 -13.009 1.00 0.00 H new ATOM 145 N ALA A 15 -1.750 -10.702 -15.770 1.00 0.00 N ATOM 146 CA ALA A 15 -1.063 -9.437 -16.001 1.00 0.00 C ATOM 147 C ALA A 15 -0.528 -8.856 -14.697 1.00 0.00 C ATOM 148 O ALA A 15 -1.264 -8.715 -13.721 1.00 0.00 O ATOM 149 CB ALA A 15 -1.998 -8.446 -16.679 1.00 0.00 C ATOM 0 H ALA A 15 -2.661 -10.776 -16.223 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.214 -9.627 -16.658 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.473 -7.506 -16.846 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.327 -8.852 -17.635 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.865 -8.269 -16.042 1.00 0.00 H new ATOM 155 N ALA A 16 0.758 -8.521 -14.688 1.00 0.00 N ATOM 156 CA ALA A 16 1.392 -7.954 -13.504 1.00 0.00 C ATOM 157 C ALA A 16 1.248 -6.436 -13.478 1.00 0.00 C ATOM 158 O ALA A 16 1.917 -5.727 -14.229 1.00 0.00 O ATOM 159 CB ALA A 16 2.860 -8.349 -13.451 1.00 0.00 C ATOM 0 H ALA A 16 1.381 -8.632 -15.488 1.00 0.00 H new ATOM 0 HA ALA A 16 0.888 -8.355 -12.625 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.321 -7.919 -12.562 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.943 -9.435 -13.413 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.369 -7.977 -14.340 1.00 0.00 H new ATOM 165 N VAL A 17 0.370 -5.944 -12.610 1.00 0.00 N ATOM 166 CA VAL A 17 0.139 -4.510 -12.486 1.00 0.00 C ATOM 167 C VAL A 17 0.457 -4.021 -11.078 1.00 0.00 C ATOM 168 O VAL A 17 -0.120 -4.496 -10.100 1.00 0.00 O ATOM 169 CB VAL A 17 -1.318 -4.145 -12.828 1.00 0.00 C ATOM 170 CG1 VAL A 17 -1.539 -2.646 -12.691 1.00 0.00 C ATOM 171 CG2 VAL A 17 -1.671 -4.618 -14.229 1.00 0.00 C ATOM 0 H VAL A 17 -0.193 -6.518 -11.982 1.00 0.00 H new ATOM 0 HA VAL A 17 0.805 -4.020 -13.196 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.976 -4.651 -12.122 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.574 -2.407 -12.937 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.329 -2.339 -11.666 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.873 -2.116 -13.372 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.704 -4.352 -14.453 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.008 -4.142 -14.952 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.554 -5.700 -14.288 1.00 0.00 H new ATOM 181 N ALA A 18 1.380 -3.069 -10.982 1.00 0.00 N ATOM 182 CA ALA A 18 1.774 -2.514 -9.693 1.00 0.00 C ATOM 183 C ALA A 18 1.516 -1.012 -9.641 1.00 0.00 C ATOM 184 O ALA A 18 2.315 -0.255 -9.090 1.00 0.00 O ATOM 185 CB ALA A 18 3.240 -2.810 -9.416 1.00 0.00 C ATOM 0 H ALA A 18 1.869 -2.666 -11.782 1.00 0.00 H new ATOM 0 HA ALA A 18 1.168 -2.988 -8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.520 -2.389 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.397 -3.889 -9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.855 -2.364 -10.198 1.00 0.00 H new ATOM 191 N ALA A 19 0.397 -0.588 -10.217 1.00 0.00 N ATOM 192 CA ALA A 19 0.034 0.824 -10.235 1.00 0.00 C ATOM 193 C ALA A 19 -1.314 1.053 -9.559 1.00 0.00 C ATOM 194 O ALA A 19 -2.165 0.164 -9.532 1.00 0.00 O ATOM 195 CB ALA A 19 0.005 1.344 -11.665 1.00 0.00 C ATOM 0 H ALA A 19 -0.275 -1.202 -10.678 1.00 0.00 H new ATOM 0 HA ALA A 19 0.790 1.375 -9.675 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.267 2.399 -11.663 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.990 1.224 -12.116 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.729 0.781 -12.242 1.00 0.00 H new ATOM 201 N VAL A 20 -1.501 2.251 -9.013 1.00 0.00 N ATOM 202 CA VAL A 20 -2.745 2.597 -8.337 1.00 0.00 C ATOM 203 C VAL A 20 -3.855 2.886 -9.343 1.00 0.00 C ATOM 204 O VAL A 20 -3.794 3.867 -10.083 1.00 0.00 O ATOM 205 CB VAL A 20 -2.565 3.822 -7.422 1.00 0.00 C ATOM 206 CG1 VAL A 20 -3.879 4.180 -6.743 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.477 3.561 -6.391 1.00 0.00 C ATOM 0 H VAL A 20 -0.806 2.998 -9.026 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.024 1.737 -7.729 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.258 4.669 -8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.732 5.048 -6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.628 4.412 -7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.219 3.337 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.363 4.437 -5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.753 2.701 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.535 3.358 -6.900 1.00 0.00 H new ATOM 217 N GLU A 21 -4.867 2.025 -9.362 1.00 0.00 N ATOM 218 CA GLU A 21 -5.991 2.188 -10.278 1.00 0.00 C ATOM 219 C GLU A 21 -6.983 3.216 -9.742 1.00 0.00 C ATOM 220 O GLU A 21 -7.227 3.290 -8.539 1.00 0.00 O ATOM 221 CB GLU A 21 -6.696 0.849 -10.499 1.00 0.00 C ATOM 222 CG GLU A 21 -5.943 -0.090 -11.426 1.00 0.00 C ATOM 223 CD GLU A 21 -5.924 0.399 -12.862 1.00 0.00 C ATOM 224 OE1 GLU A 21 -6.999 0.777 -13.373 1.00 0.00 O ATOM 225 OE2 GLU A 21 -4.836 0.402 -13.474 1.00 0.00 O ATOM 0 H GLU A 21 -4.932 1.208 -8.755 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.602 2.546 -11.231 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.837 0.359 -9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.688 1.034 -10.911 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.919 -0.201 -11.070 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.403 -1.078 -11.388 1.00 0.00 H new ATOM 232 N GLU A 22 -7.552 4.008 -10.647 1.00 0.00 N ATOM 233 CA GLU A 22 -8.517 5.033 -10.265 1.00 0.00 C ATOM 234 C GLU A 22 -9.943 4.499 -10.362 1.00 0.00 C ATOM 235 O GLU A 22 -10.489 4.350 -11.455 1.00 0.00 O ATOM 236 CB GLU A 22 -8.361 6.268 -11.154 1.00 0.00 C ATOM 237 CG GLU A 22 -8.891 7.544 -10.522 1.00 0.00 C ATOM 238 CD GLU A 22 -8.234 8.790 -11.084 1.00 0.00 C ATOM 239 OE1 GLU A 22 -8.602 9.203 -12.203 1.00 0.00 O ATOM 240 OE2 GLU A 22 -7.351 9.352 -10.402 1.00 0.00 O ATOM 0 H GLU A 22 -7.362 3.959 -11.648 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.322 5.313 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.306 6.402 -11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.882 6.095 -12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.968 7.603 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.728 7.506 -9.445 1.00 0.00 H new ATOM 247 N VAL A 23 -10.541 4.213 -9.209 1.00 0.00 N ATOM 248 CA VAL A 23 -11.904 3.697 -9.163 1.00 0.00 C ATOM 249 C VAL A 23 -12.912 4.825 -8.975 1.00 0.00 C ATOM 250 O VAL A 23 -13.021 5.401 -7.893 1.00 0.00 O ATOM 251 CB VAL A 23 -12.077 2.673 -8.025 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.506 2.153 -7.988 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.088 1.528 -8.184 1.00 0.00 C ATOM 0 H VAL A 23 -10.103 4.330 -8.295 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.089 3.204 -10.117 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.872 3.171 -7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.610 1.431 -7.178 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.191 2.984 -7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.742 1.671 -8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.224 0.814 -7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.259 1.029 -9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.071 1.919 -8.156 1.00 0.00 H new ATOM 263 N GLY A 24 -13.649 5.135 -10.037 1.00 0.00 N ATOM 264 CA GLY A 24 -14.640 6.193 -9.969 1.00 0.00 C ATOM 265 C GLY A 24 -16.055 5.674 -10.138 1.00 0.00 C ATOM 266 O GLY A 24 -16.882 6.309 -10.793 1.00 0.00 O ATOM 0 H GLY A 24 -13.578 4.672 -10.943 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.556 6.704 -9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.432 6.932 -10.743 1.00 0.00 H new ATOM 270 N SER A 25 -16.333 4.516 -9.548 1.00 0.00 N ATOM 271 CA SER A 25 -17.656 3.910 -9.642 1.00 0.00 C ATOM 272 C SER A 25 -17.756 2.684 -8.739 1.00 0.00 C ATOM 273 O SER A 25 -16.839 1.865 -8.681 1.00 0.00 O ATOM 274 CB SER A 25 -17.959 3.517 -11.089 1.00 0.00 C ATOM 275 OG SER A 25 -16.943 2.682 -11.615 1.00 0.00 O ATOM 0 H SER A 25 -15.661 3.979 -9.000 1.00 0.00 H new ATOM 0 HA SER A 25 -18.390 4.645 -9.312 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.918 3.001 -11.136 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.050 4.414 -11.701 1.00 0.00 H new ATOM 0 HG SER A 25 -17.162 2.444 -12.540 1.00 0.00 H new ATOM 281 N ALA A 26 -18.878 2.565 -8.036 1.00 0.00 N ATOM 282 CA ALA A 26 -19.100 1.439 -7.137 1.00 0.00 C ATOM 283 C ALA A 26 -18.929 0.111 -7.868 1.00 0.00 C ATOM 284 O ALA A 26 -18.411 -0.854 -7.308 1.00 0.00 O ATOM 285 CB ALA A 26 -20.486 1.526 -6.515 1.00 0.00 C ATOM 0 H ALA A 26 -19.647 3.234 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.354 1.486 -6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.638 0.679 -5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.574 2.454 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.240 1.507 -7.302 1.00 0.00 H new ATOM 291 N GLY A 27 -19.369 0.070 -9.122 1.00 0.00 N ATOM 292 CA GLY A 27 -19.256 -1.145 -9.908 1.00 0.00 C ATOM 293 C GLY A 27 -17.821 -1.610 -10.053 1.00 0.00 C ATOM 294 O GLY A 27 -17.520 -2.785 -9.847 1.00 0.00 O ATOM 0 H GLY A 27 -19.801 0.856 -9.607 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.845 -1.934 -9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.681 -0.975 -10.897 1.00 0.00 H new ATOM 298 N GLN A 28 -16.934 -0.687 -10.409 1.00 0.00 N ATOM 299 CA GLN A 28 -15.523 -1.010 -10.584 1.00 0.00 C ATOM 300 C GLN A 28 -14.942 -1.614 -9.309 1.00 0.00 C ATOM 301 O GLN A 28 -14.285 -2.654 -9.347 1.00 0.00 O ATOM 302 CB GLN A 28 -14.736 0.241 -10.976 1.00 0.00 C ATOM 303 CG GLN A 28 -13.312 -0.051 -11.420 1.00 0.00 C ATOM 304 CD GLN A 28 -12.569 1.197 -11.856 1.00 0.00 C ATOM 305 OE1 GLN A 28 -13.125 2.296 -11.855 1.00 0.00 O ATOM 306 NE2 GLN A 28 -11.306 1.034 -12.232 1.00 0.00 N ATOM 0 H GLN A 28 -17.167 0.291 -10.582 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.440 -1.746 -11.384 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.261 0.753 -11.782 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.710 0.925 -10.128 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.770 -0.524 -10.601 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.331 -0.764 -12.244 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.885 0.105 -12.217 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.756 1.838 -12.536 1.00 0.00 H new ATOM 315 N PHE A 29 -15.187 -0.953 -8.183 1.00 0.00 N ATOM 316 CA PHE A 29 -14.686 -1.423 -6.896 1.00 0.00 C ATOM 317 C PHE A 29 -15.355 -2.737 -6.500 1.00 0.00 C ATOM 318 O PHE A 29 -14.695 -3.769 -6.382 1.00 0.00 O ATOM 319 CB PHE A 29 -14.927 -0.368 -5.815 1.00 0.00 C ATOM 320 CG PHE A 29 -14.706 -0.879 -4.420 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.511 -1.488 -4.072 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.693 -0.750 -3.456 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.304 -1.959 -2.789 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.492 -1.218 -2.171 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.296 -1.824 -1.838 1.00 0.00 C ATOM 0 H PHE A 29 -15.729 -0.090 -8.135 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.614 -1.596 -6.992 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.265 0.480 -5.992 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.949 0.002 -5.901 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.732 -1.596 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.630 -0.278 -3.712 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.368 -2.432 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.269 -1.110 -1.428 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.137 -2.192 -0.835 1.00 0.00 H new ATOM 335 N GLU A 30 -16.667 -2.688 -6.295 1.00 0.00 N ATOM 336 CA GLU A 30 -17.424 -3.873 -5.910 1.00 0.00 C ATOM 337 C GLU A 30 -17.097 -5.049 -6.826 1.00 0.00 C ATOM 338 O GLU A 30 -17.015 -6.192 -6.378 1.00 0.00 O ATOM 339 CB GLU A 30 -18.926 -3.582 -5.953 1.00 0.00 C ATOM 340 CG GLU A 30 -19.343 -2.405 -5.087 1.00 0.00 C ATOM 341 CD GLU A 30 -19.505 -2.783 -3.627 1.00 0.00 C ATOM 342 OE1 GLU A 30 -20.183 -3.794 -3.347 1.00 0.00 O ATOM 343 OE2 GLU A 30 -18.953 -2.068 -2.765 1.00 0.00 O ATOM 0 H GLU A 30 -17.228 -1.841 -6.389 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.141 -4.138 -4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.220 -3.386 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.469 -4.470 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.598 -1.614 -5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.284 -2.000 -5.460 1.00 0.00 H new ATOM 350 N GLU A 31 -16.911 -4.758 -8.109 1.00 0.00 N ATOM 351 CA GLU A 31 -16.593 -5.791 -9.088 1.00 0.00 C ATOM 352 C GLU A 31 -15.213 -6.386 -8.823 1.00 0.00 C ATOM 353 O GLU A 31 -15.057 -7.604 -8.731 1.00 0.00 O ATOM 354 CB GLU A 31 -16.650 -5.218 -10.505 1.00 0.00 C ATOM 355 CG GLU A 31 -16.239 -6.209 -11.580 1.00 0.00 C ATOM 356 CD GLU A 31 -15.967 -5.544 -12.915 1.00 0.00 C ATOM 357 OE1 GLU A 31 -16.893 -4.905 -13.458 1.00 0.00 O ATOM 358 OE2 GLU A 31 -14.830 -5.661 -13.417 1.00 0.00 O ATOM 0 H GLU A 31 -16.975 -3.816 -8.495 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.335 -6.584 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.664 -4.875 -10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.001 -4.344 -10.561 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.345 -6.741 -11.255 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.026 -6.953 -11.703 1.00 0.00 H new ATOM 365 N LEU A 32 -14.215 -5.518 -8.703 1.00 0.00 N ATOM 366 CA LEU A 32 -12.847 -5.956 -8.449 1.00 0.00 C ATOM 367 C LEU A 32 -12.782 -6.855 -7.219 1.00 0.00 C ATOM 368 O LEU A 32 -12.100 -7.880 -7.221 1.00 0.00 O ATOM 369 CB LEU A 32 -11.930 -4.746 -8.260 1.00 0.00 C ATOM 370 CG LEU A 32 -10.435 -5.000 -8.452 1.00 0.00 C ATOM 371 CD1 LEU A 32 -10.096 -5.096 -9.932 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.617 -3.903 -7.786 1.00 0.00 C ATOM 0 H LEU A 32 -14.327 -4.507 -8.777 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.509 -6.529 -9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.239 -3.969 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.085 -4.351 -7.256 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.184 -5.950 -7.980 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.028 -5.277 -10.050 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.655 -5.917 -10.381 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.363 -4.162 -10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.555 -4.101 -7.933 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.872 -2.940 -8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.838 -3.882 -6.719 1.00 0.00 H new ATOM 384 N LEU A 33 -13.497 -6.465 -6.169 1.00 0.00 N ATOM 385 CA LEU A 33 -13.523 -7.237 -4.932 1.00 0.00 C ATOM 386 C LEU A 33 -13.530 -8.734 -5.224 1.00 0.00 C ATOM 387 O LEU A 33 -12.932 -9.522 -4.491 1.00 0.00 O ATOM 388 CB LEU A 33 -14.751 -6.863 -4.100 1.00 0.00 C ATOM 389 CG LEU A 33 -14.569 -5.706 -3.118 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.872 -5.415 -2.388 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.459 -6.018 -2.125 1.00 0.00 C ATOM 0 H LEU A 33 -14.066 -5.619 -6.150 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.622 -7.000 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.563 -6.611 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.067 -7.743 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.286 -4.818 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.723 -4.588 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.642 -5.147 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.185 -6.301 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.344 -5.183 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.713 -6.919 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.524 -6.176 -2.662 1.00 0.00 H new ATOM 403 N ARG A 34 -14.208 -9.119 -6.300 1.00 0.00 N ATOM 404 CA ARG A 34 -14.291 -10.521 -6.690 1.00 0.00 C ATOM 405 C ARG A 34 -13.000 -10.975 -7.366 1.00 0.00 C ATOM 406 O ARG A 34 -12.386 -11.961 -6.956 1.00 0.00 O ATOM 407 CB ARG A 34 -15.477 -10.742 -7.631 1.00 0.00 C ATOM 408 CG ARG A 34 -16.823 -10.423 -7.001 1.00 0.00 C ATOM 409 CD ARG A 34 -17.973 -10.845 -7.900 1.00 0.00 C ATOM 410 NE ARG A 34 -18.336 -12.246 -7.705 1.00 0.00 N ATOM 411 CZ ARG A 34 -17.788 -13.248 -8.384 1.00 0.00 C ATOM 412 NH1 ARG A 34 -16.858 -13.005 -9.297 1.00 0.00 N ATOM 413 NH2 ARG A 34 -18.170 -14.497 -8.150 1.00 0.00 N ATOM 0 H ARG A 34 -14.708 -8.479 -6.917 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.437 -11.115 -5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.345 -10.124 -8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.478 -11.780 -7.963 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.906 -10.931 -6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.889 -9.353 -6.803 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -18.840 -10.215 -7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.696 -10.684 -8.942 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.049 -12.467 -7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -16.561 -12.046 -9.480 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.439 -13.777 -9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -18.885 -14.689 -7.448 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.749 -15.265 -8.672 1.00 0.00 H new ATOM 427 N LEU A 35 -12.595 -10.251 -8.403 1.00 0.00 N ATOM 428 CA LEU A 35 -11.378 -10.579 -9.136 1.00 0.00 C ATOM 429 C LEU A 35 -10.177 -10.639 -8.198 1.00 0.00 C ATOM 430 O LEU A 35 -9.463 -11.642 -8.149 1.00 0.00 O ATOM 431 CB LEU A 35 -11.128 -9.547 -10.237 1.00 0.00 C ATOM 432 CG LEU A 35 -12.103 -9.573 -11.415 1.00 0.00 C ATOM 433 CD1 LEU A 35 -12.216 -8.194 -12.045 1.00 0.00 C ATOM 434 CD2 LEU A 35 -11.662 -10.599 -12.450 1.00 0.00 C ATOM 0 H LEU A 35 -13.092 -9.433 -8.755 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.511 -11.561 -9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.157 -8.554 -9.789 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.119 -9.694 -10.623 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.086 -9.861 -11.042 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.914 -8.232 -12.881 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.578 -7.483 -11.302 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.237 -7.877 -12.404 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.367 -10.604 -13.281 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.669 -10.341 -12.818 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.633 -11.588 -11.993 1.00 0.00 H new ATOM 446 N LYS A 36 -9.959 -9.560 -7.454 1.00 0.00 N ATOM 447 CA LYS A 36 -8.847 -9.490 -6.514 1.00 0.00 C ATOM 448 C LYS A 36 -9.246 -10.056 -5.155 1.00 0.00 C ATOM 449 O LYS A 36 -8.882 -9.511 -4.114 1.00 0.00 O ATOM 450 CB LYS A 36 -8.375 -8.043 -6.357 1.00 0.00 C ATOM 451 CG LYS A 36 -8.158 -7.327 -7.679 1.00 0.00 C ATOM 452 CD LYS A 36 -6.838 -7.724 -8.318 1.00 0.00 C ATOM 453 CE LYS A 36 -6.571 -6.927 -9.585 1.00 0.00 C ATOM 454 NZ LYS A 36 -6.177 -5.523 -9.285 1.00 0.00 N ATOM 0 H LYS A 36 -10.539 -8.721 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.030 -10.091 -6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.110 -7.491 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.444 -8.033 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.977 -7.561 -8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.175 -6.249 -7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.026 -7.564 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.851 -8.788 -8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.781 -7.411 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.464 -6.928 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.687 -5.117 -10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.027 -4.961 -9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.542 -5.509 -8.462 1.00 0.00 H new ATOM 468 N ALA A 37 -9.995 -11.154 -5.174 1.00 0.00 N ATOM 469 CA ALA A 37 -10.440 -11.796 -3.943 1.00 0.00 C ATOM 470 C ALA A 37 -9.312 -12.596 -3.301 1.00 0.00 C ATOM 471 O ALA A 37 -9.081 -12.506 -2.095 1.00 0.00 O ATOM 472 CB ALA A 37 -11.636 -12.695 -4.219 1.00 0.00 C ATOM 0 H ALA A 37 -10.306 -11.617 -6.028 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.739 -11.015 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.958 -13.168 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.453 -12.099 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.355 -13.463 -4.939 1.00 0.00 H new ATOM 478 N LYS A 38 -8.611 -13.379 -4.115 1.00 0.00 N ATOM 479 CA LYS A 38 -7.506 -14.195 -3.628 1.00 0.00 C ATOM 480 C LYS A 38 -6.380 -13.319 -3.087 1.00 0.00 C ATOM 481 O LYS A 38 -5.838 -13.580 -2.013 1.00 0.00 O ATOM 482 CB LYS A 38 -6.975 -15.092 -4.748 1.00 0.00 C ATOM 483 CG LYS A 38 -7.892 -16.257 -5.080 1.00 0.00 C ATOM 484 CD LYS A 38 -9.179 -15.784 -5.735 1.00 0.00 C ATOM 485 CE LYS A 38 -10.032 -16.955 -6.197 1.00 0.00 C ATOM 486 NZ LYS A 38 -9.584 -17.480 -7.517 1.00 0.00 N ATOM 0 H LYS A 38 -8.789 -13.465 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.879 -14.820 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.827 -14.490 -5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.998 -15.480 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.376 -16.949 -5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.127 -16.807 -4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.745 -15.176 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.942 -15.147 -6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.987 -17.752 -5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.074 -16.641 -6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.190 -18.277 -7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.650 -16.727 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.598 -17.803 -7.446 1.00 0.00 H new ATOM 500 N SER A 39 -6.033 -12.278 -3.838 1.00 0.00 N ATOM 501 CA SER A 39 -4.970 -11.365 -3.435 1.00 0.00 C ATOM 502 C SER A 39 -5.486 -10.340 -2.430 1.00 0.00 C ATOM 503 O SER A 39 -6.683 -10.284 -2.142 1.00 0.00 O ATOM 504 CB SER A 39 -4.391 -10.651 -4.657 1.00 0.00 C ATOM 505 OG SER A 39 -5.373 -9.851 -5.293 1.00 0.00 O ATOM 0 H SER A 39 -6.473 -12.046 -4.729 1.00 0.00 H new ATOM 0 HA SER A 39 -4.183 -11.951 -2.959 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.550 -10.027 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.004 -11.386 -5.362 1.00 0.00 H new ATOM 0 HG SER A 39 -4.977 -9.404 -6.070 1.00 0.00 H new ATOM 511 N LEU A 40 -4.576 -9.531 -1.900 1.00 0.00 N ATOM 512 CA LEU A 40 -4.938 -8.506 -0.926 1.00 0.00 C ATOM 513 C LEU A 40 -5.260 -7.186 -1.619 1.00 0.00 C ATOM 514 O LEU A 40 -4.471 -6.686 -2.424 1.00 0.00 O ATOM 515 CB LEU A 40 -3.802 -8.304 0.078 1.00 0.00 C ATOM 516 CG LEU A 40 -3.889 -7.050 0.948 1.00 0.00 C ATOM 517 CD1 LEU A 40 -5.026 -7.174 1.950 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.569 -6.804 1.663 1.00 0.00 C ATOM 0 H LEU A 40 -3.582 -9.564 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.828 -8.843 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.764 -9.174 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.860 -8.277 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.093 -6.196 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.073 -6.272 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.968 -7.301 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.853 -8.038 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.650 -5.907 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.334 -7.659 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.776 -6.669 0.927 1.00 0.00 H new ATOM 530 N LEU A 41 -6.421 -6.624 -1.301 1.00 0.00 N ATOM 531 CA LEU A 41 -6.846 -5.360 -1.892 1.00 0.00 C ATOM 532 C LEU A 41 -6.647 -4.207 -0.912 1.00 0.00 C ATOM 533 O LEU A 41 -6.845 -4.361 0.293 1.00 0.00 O ATOM 534 CB LEU A 41 -8.315 -5.439 -2.312 1.00 0.00 C ATOM 535 CG LEU A 41 -8.773 -4.410 -3.346 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.273 -4.786 -4.732 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.290 -4.287 -3.339 1.00 0.00 C ATOM 0 H LEU A 41 -7.085 -7.024 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.232 -5.174 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.505 -6.435 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.933 -5.329 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.348 -3.442 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.609 -4.042 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.184 -4.822 -4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.668 -5.764 -5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.599 -3.550 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.734 -5.253 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.625 -3.970 -2.351 1.00 0.00 H new ATOM 549 N VAL A 42 -6.256 -3.051 -1.439 1.00 0.00 N ATOM 550 CA VAL A 42 -6.034 -1.871 -0.612 1.00 0.00 C ATOM 551 C VAL A 42 -6.750 -0.654 -1.187 1.00 0.00 C ATOM 552 O VAL A 42 -6.295 -0.056 -2.162 1.00 0.00 O ATOM 553 CB VAL A 42 -4.533 -1.554 -0.478 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.324 -0.299 0.356 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.791 -2.736 0.127 1.00 0.00 C ATOM 0 H VAL A 42 -6.087 -2.907 -2.434 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.440 -2.095 0.374 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.128 -1.371 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.257 -0.091 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.821 0.544 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.743 -0.449 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.732 -2.495 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.196 -2.953 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.912 -3.609 -0.515 1.00 0.00 H new ATOM 565 N VAL A 43 -7.874 -0.292 -0.576 1.00 0.00 N ATOM 566 CA VAL A 43 -8.653 0.856 -1.026 1.00 0.00 C ATOM 567 C VAL A 43 -8.248 2.122 -0.279 1.00 0.00 C ATOM 568 O VAL A 43 -8.395 2.210 0.940 1.00 0.00 O ATOM 569 CB VAL A 43 -10.162 0.619 -0.833 1.00 0.00 C ATOM 570 CG1 VAL A 43 -10.953 1.851 -1.247 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.615 -0.603 -1.618 1.00 0.00 C ATOM 0 H VAL A 43 -8.265 -0.777 0.232 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.446 0.983 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.350 0.433 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.017 1.665 -1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.648 2.701 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.761 2.071 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.684 -0.755 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.414 -0.449 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.072 -1.481 -1.269 1.00 0.00 H new ATOM 581 N HIS A 44 -7.738 3.101 -1.020 1.00 0.00 N ATOM 582 CA HIS A 44 -7.313 4.365 -0.427 1.00 0.00 C ATOM 583 C HIS A 44 -8.294 5.482 -0.768 1.00 0.00 C ATOM 584 O HIS A 44 -8.528 5.781 -1.939 1.00 0.00 O ATOM 585 CB HIS A 44 -5.912 4.735 -0.916 1.00 0.00 C ATOM 586 CG HIS A 44 -5.525 6.149 -0.610 1.00 0.00 C ATOM 587 ND1 HIS A 44 -4.964 6.994 -1.543 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.623 6.866 0.534 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.732 8.170 -0.987 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.124 8.118 0.274 1.00 0.00 N ATOM 0 H HIS A 44 -7.609 3.044 -2.030 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.292 4.242 0.656 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.187 4.062 -0.459 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.859 4.577 -1.993 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.760 6.750 -2.512 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.020 6.518 1.476 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.296 9.027 -1.479 1.00 0.00 H new ATOM 599 N PHE A 45 -8.867 6.094 0.263 1.00 0.00 N ATOM 600 CA PHE A 45 -9.825 7.177 0.074 1.00 0.00 C ATOM 601 C PHE A 45 -9.109 8.491 -0.225 1.00 0.00 C ATOM 602 O PHE A 45 -8.310 8.971 0.578 1.00 0.00 O ATOM 603 CB PHE A 45 -10.703 7.333 1.317 1.00 0.00 C ATOM 604 CG PHE A 45 -11.924 6.460 1.302 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.822 5.099 1.545 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.175 6.998 1.045 1.00 0.00 C ATOM 607 CE1 PHE A 45 -12.944 4.292 1.532 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.300 6.196 1.032 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.185 4.841 1.274 1.00 0.00 C ATOM 0 H PHE A 45 -8.684 5.858 1.238 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.456 6.925 -0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.111 7.100 2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.012 8.375 1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.854 4.664 1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.272 8.056 0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.851 3.233 1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.269 6.629 0.833 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.063 4.212 1.262 1.00 0.00 H new ATOM 619 N TRP A 46 -9.400 9.065 -1.387 1.00 0.00 N ATOM 620 CA TRP A 46 -8.784 10.323 -1.793 1.00 0.00 C ATOM 621 C TRP A 46 -9.844 11.376 -2.097 1.00 0.00 C ATOM 622 O TRP A 46 -10.689 11.185 -2.971 1.00 0.00 O ATOM 623 CB TRP A 46 -7.896 10.107 -3.020 1.00 0.00 C ATOM 624 CG TRP A 46 -8.663 10.061 -4.307 1.00 0.00 C ATOM 625 CD1 TRP A 46 -9.111 8.945 -4.954 1.00 0.00 C ATOM 626 CD2 TRP A 46 -9.068 11.179 -5.103 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.771 9.302 -6.105 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.760 10.667 -6.219 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.917 12.563 -4.982 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -10.296 11.492 -7.204 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -9.450 13.380 -5.961 1.00 0.00 C ATOM 632 CH2 TRP A 46 -10.133 12.843 -7.060 1.00 0.00 C ATOM 0 H TRP A 46 -10.058 8.680 -2.064 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.170 10.681 -0.967 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.160 10.909 -3.073 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.344 9.175 -2.901 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.968 7.931 -4.611 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.200 8.655 -6.767 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -8.393 12.987 -4.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -10.822 11.080 -8.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -9.338 14.451 -5.877 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -10.539 13.508 -7.808 1.00 0.00 H new ATOM 643 N ALA A 47 -9.794 12.487 -1.370 1.00 0.00 N ATOM 644 CA ALA A 47 -10.749 13.571 -1.564 1.00 0.00 C ATOM 645 C ALA A 47 -10.067 14.808 -2.138 1.00 0.00 C ATOM 646 O ALA A 47 -8.912 15.107 -1.834 1.00 0.00 O ATOM 647 CB ALA A 47 -11.439 13.908 -0.250 1.00 0.00 C ATOM 0 H ALA A 47 -9.102 12.660 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.499 13.237 -2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.149 14.719 -0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.968 13.029 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.694 14.217 0.483 1.00 0.00 H new ATOM 653 N PRO A 48 -10.796 15.545 -2.989 1.00 0.00 N ATOM 654 CA PRO A 48 -10.280 16.762 -3.624 1.00 0.00 C ATOM 655 C PRO A 48 -10.106 17.905 -2.630 1.00 0.00 C ATOM 656 O PRO A 48 -9.559 18.955 -2.968 1.00 0.00 O ATOM 657 CB PRO A 48 -11.359 17.109 -4.654 1.00 0.00 C ATOM 658 CG PRO A 48 -12.606 16.498 -4.116 1.00 0.00 C ATOM 659 CD PRO A 48 -12.179 15.248 -3.397 1.00 0.00 C ATOM 0 HA PRO A 48 -9.291 16.608 -4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.464 18.188 -4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.113 16.706 -5.636 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.115 17.183 -3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.305 16.266 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.816 15.042 -2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.227 14.374 -4.047 1.00 0.00 H new ATOM 667 N TRP A 49 -10.572 17.693 -1.405 1.00 0.00 N ATOM 668 CA TRP A 49 -10.466 18.707 -0.361 1.00 0.00 C ATOM 669 C TRP A 49 -9.510 18.259 0.738 1.00 0.00 C ATOM 670 O TRP A 49 -9.466 18.852 1.815 1.00 0.00 O ATOM 671 CB TRP A 49 -11.844 19.002 0.233 1.00 0.00 C ATOM 672 CG TRP A 49 -12.629 17.767 0.555 1.00 0.00 C ATOM 673 CD1 TRP A 49 -13.566 17.162 -0.233 1.00 0.00 C ATOM 674 CD2 TRP A 49 -12.546 16.987 1.753 1.00 0.00 C ATOM 675 NE1 TRP A 49 -14.071 16.053 0.402 1.00 0.00 N ATOM 676 CE2 TRP A 49 -13.461 15.923 1.622 1.00 0.00 C ATOM 677 CE3 TRP A 49 -11.787 17.082 2.922 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -13.635 14.965 2.617 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -11.962 16.130 3.909 1.00 0.00 C ATOM 680 CH2 TRP A 49 -12.879 15.083 3.751 1.00 0.00 C ATOM 0 H TRP A 49 -11.027 16.829 -1.110 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.070 19.617 -0.812 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.721 19.593 1.141 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.412 19.612 -0.470 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -13.866 17.505 -1.212 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -14.784 15.428 0.026 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -11.076 17.885 3.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.342 14.157 2.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -11.382 16.195 4.818 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -12.991 14.354 4.540 1.00 0.00 H new ATOM 691 N ALA A 50 -8.745 17.208 0.459 1.00 0.00 N ATOM 692 CA ALA A 50 -7.788 16.683 1.425 1.00 0.00 C ATOM 693 C ALA A 50 -6.376 16.672 0.848 1.00 0.00 C ATOM 694 O ALA A 50 -6.046 15.879 -0.034 1.00 0.00 O ATOM 695 CB ALA A 50 -8.193 15.282 1.861 1.00 0.00 C ATOM 0 H ALA A 50 -8.770 16.704 -0.427 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.792 17.338 2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.470 14.902 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.181 15.315 2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.219 14.624 0.992 1.00 0.00 H new ATOM 701 N PRO A 51 -5.522 17.573 1.356 1.00 0.00 N ATOM 702 CA PRO A 51 -4.132 17.687 0.906 1.00 0.00 C ATOM 703 C PRO A 51 -3.283 16.494 1.335 1.00 0.00 C ATOM 704 O PRO A 51 -2.294 16.160 0.685 1.00 0.00 O ATOM 705 CB PRO A 51 -3.641 18.966 1.589 1.00 0.00 C ATOM 706 CG PRO A 51 -4.505 19.106 2.795 1.00 0.00 C ATOM 707 CD PRO A 51 -5.847 18.549 2.410 1.00 0.00 C ATOM 0 HA PRO A 51 -4.057 17.712 -0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.589 18.890 1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.738 19.829 0.930 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.085 18.562 3.641 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.588 20.150 3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.343 18.075 3.257 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.515 19.328 2.044 1.00 0.00 H new ATOM 715 N GLN A 52 -3.678 15.858 2.433 1.00 0.00 N ATOM 716 CA GLN A 52 -2.953 14.703 2.949 1.00 0.00 C ATOM 717 C GLN A 52 -2.794 13.635 1.871 1.00 0.00 C ATOM 718 O GLN A 52 -1.779 12.939 1.820 1.00 0.00 O ATOM 719 CB GLN A 52 -3.680 14.117 4.161 1.00 0.00 C ATOM 720 CG GLN A 52 -3.264 14.744 5.481 1.00 0.00 C ATOM 721 CD GLN A 52 -4.055 15.996 5.808 1.00 0.00 C ATOM 722 OE1 GLN A 52 -3.547 17.112 5.696 1.00 0.00 O ATOM 723 NE2 GLN A 52 -5.306 15.816 6.214 1.00 0.00 N ATOM 0 H GLN A 52 -4.496 16.123 2.982 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.961 15.035 3.255 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.754 14.248 4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.493 13.044 4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.395 14.016 6.282 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.203 14.989 5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.686 14.873 6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.887 16.621 6.448 1.00 0.00 H new ATOM 732 N CYS A 53 -3.801 13.512 1.014 1.00 0.00 N ATOM 733 CA CYS A 53 -3.773 12.527 -0.062 1.00 0.00 C ATOM 734 C CYS A 53 -2.478 12.633 -0.861 1.00 0.00 C ATOM 735 O CYS A 53 -2.083 11.691 -1.548 1.00 0.00 O ATOM 736 CB CYS A 53 -4.975 12.719 -0.987 1.00 0.00 C ATOM 737 SG CYS A 53 -6.571 12.707 -0.137 1.00 0.00 S ATOM 0 H CYS A 53 -4.647 14.081 1.043 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.823 11.534 0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.865 13.665 -1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.970 11.930 -1.739 1.00 0.00 H new ATOM 0 HG CYS A 53 -6.771 11.537 0.394 1.00 0.00 H new ATOM 743 N ALA A 54 -1.823 13.786 -0.768 1.00 0.00 N ATOM 744 CA ALA A 54 -0.573 14.014 -1.482 1.00 0.00 C ATOM 745 C ALA A 54 0.518 13.067 -0.995 1.00 0.00 C ATOM 746 O ALA A 54 0.960 12.185 -1.731 1.00 0.00 O ATOM 747 CB ALA A 54 -0.131 15.461 -1.322 1.00 0.00 C ATOM 0 H ALA A 54 -2.138 14.576 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.745 13.813 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.804 15.618 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.897 16.122 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.018 15.681 -0.265 1.00 0.00 H new ATOM 753 N GLN A 55 0.949 13.258 0.248 1.00 0.00 N ATOM 754 CA GLN A 55 1.990 12.421 0.832 1.00 0.00 C ATOM 755 C GLN A 55 1.582 10.952 0.814 1.00 0.00 C ATOM 756 O GLN A 55 2.410 10.070 0.587 1.00 0.00 O ATOM 757 CB GLN A 55 2.285 12.863 2.266 1.00 0.00 C ATOM 758 CG GLN A 55 1.148 12.583 3.235 1.00 0.00 C ATOM 759 CD GLN A 55 1.089 13.585 4.371 1.00 0.00 C ATOM 760 OE1 GLN A 55 1.014 13.210 5.541 1.00 0.00 O ATOM 761 NE2 GLN A 55 1.123 14.868 4.031 1.00 0.00 N ATOM 0 H GLN A 55 0.593 13.985 0.869 1.00 0.00 H new ATOM 0 HA GLN A 55 2.892 12.536 0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.183 12.355 2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.501 13.931 2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.202 12.598 2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.265 11.580 3.646 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.186 15.134 3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.087 15.588 4.753 1.00 0.00 H new ATOM 770 N MET A 56 0.300 10.696 1.055 1.00 0.00 N ATOM 771 CA MET A 56 -0.219 9.333 1.065 1.00 0.00 C ATOM 772 C MET A 56 -0.147 8.713 -0.327 1.00 0.00 C ATOM 773 O MET A 56 0.101 7.517 -0.472 1.00 0.00 O ATOM 774 CB MET A 56 -1.663 9.318 1.570 1.00 0.00 C ATOM 775 CG MET A 56 -1.793 9.642 3.049 1.00 0.00 C ATOM 776 SD MET A 56 -1.259 8.284 4.108 1.00 0.00 S ATOM 777 CE MET A 56 0.500 8.606 4.211 1.00 0.00 C ATOM 0 H MET A 56 -0.398 11.415 1.246 1.00 0.00 H new ATOM 0 HA MET A 56 0.400 8.740 1.739 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.247 10.037 0.996 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.095 8.335 1.383 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.201 10.529 3.276 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.831 9.886 3.274 1.00 0.00 H new ATOM 0 HE1 MET A 56 1.051 7.719 3.898 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.756 9.441 3.559 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.765 8.854 5.239 1.00 0.00 H new ATOM 787 N ASN A 57 -0.368 9.536 -1.348 1.00 0.00 N ATOM 788 CA ASN A 57 -0.329 9.067 -2.728 1.00 0.00 C ATOM 789 C ASN A 57 1.064 8.563 -3.093 1.00 0.00 C ATOM 790 O ASN A 57 1.215 7.475 -3.648 1.00 0.00 O ATOM 791 CB ASN A 57 -0.743 10.190 -3.681 1.00 0.00 C ATOM 792 CG ASN A 57 -2.241 10.229 -3.913 1.00 0.00 C ATOM 793 OD1 ASN A 57 -3.009 9.590 -3.193 1.00 0.00 O ATOM 794 ND2 ASN A 57 -2.664 10.981 -4.923 1.00 0.00 N ATOM 0 H ASN A 57 -0.576 10.529 -1.245 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.032 8.239 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.416 11.147 -3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.234 10.059 -4.636 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.661 11.046 -5.128 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.992 11.494 -5.494 1.00 0.00 H new ATOM 801 N GLU A 58 2.078 9.361 -2.776 1.00 0.00 N ATOM 802 CA GLU A 58 3.459 8.995 -3.070 1.00 0.00 C ATOM 803 C GLU A 58 3.809 7.648 -2.446 1.00 0.00 C ATOM 804 O GLU A 58 4.209 6.714 -3.141 1.00 0.00 O ATOM 805 CB GLU A 58 4.416 10.073 -2.557 1.00 0.00 C ATOM 806 CG GLU A 58 4.181 11.441 -3.175 1.00 0.00 C ATOM 807 CD GLU A 58 5.308 12.413 -2.885 1.00 0.00 C ATOM 808 OE1 GLU A 58 5.622 12.618 -1.694 1.00 0.00 O ATOM 809 OE2 GLU A 58 5.875 12.969 -3.849 1.00 0.00 O ATOM 0 H GLU A 58 1.970 10.265 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 58 3.564 8.912 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.315 10.151 -1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.441 9.763 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.067 11.334 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.245 11.851 -2.795 1.00 0.00 H new ATOM 816 N VAL A 59 3.657 7.555 -1.129 1.00 0.00 N ATOM 817 CA VAL A 59 3.957 6.323 -0.409 1.00 0.00 C ATOM 818 C VAL A 59 3.325 5.118 -1.096 1.00 0.00 C ATOM 819 O VAL A 59 3.948 4.064 -1.220 1.00 0.00 O ATOM 820 CB VAL A 59 3.460 6.389 1.047 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.764 5.088 1.775 1.00 0.00 C ATOM 822 CG2 VAL A 59 4.085 7.572 1.770 1.00 0.00 C ATOM 0 H VAL A 59 3.328 8.319 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 59 5.041 6.211 -0.410 1.00 0.00 H new ATOM 0 HB VAL A 59 2.379 6.528 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.406 5.154 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.264 4.262 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.840 4.915 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.723 7.603 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.170 7.466 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.811 8.496 1.260 1.00 0.00 H new ATOM 832 N MET A 60 2.084 5.281 -1.542 1.00 0.00 N ATOM 833 CA MET A 60 1.368 4.206 -2.219 1.00 0.00 C ATOM 834 C MET A 60 2.149 3.712 -3.433 1.00 0.00 C ATOM 835 O MET A 60 2.582 2.562 -3.477 1.00 0.00 O ATOM 836 CB MET A 60 -0.021 4.683 -2.651 1.00 0.00 C ATOM 837 CG MET A 60 -1.054 4.633 -1.538 1.00 0.00 C ATOM 838 SD MET A 60 -2.647 5.315 -2.037 1.00 0.00 S ATOM 839 CE MET A 60 -3.264 4.001 -3.086 1.00 0.00 C ATOM 0 H MET A 60 1.553 6.147 -1.447 1.00 0.00 H new ATOM 0 HA MET A 60 1.259 3.378 -1.518 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.054 5.706 -3.020 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.365 4.068 -3.483 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.189 3.599 -1.220 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.681 5.186 -0.676 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.175 4.331 -3.585 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.512 3.749 -3.834 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.481 3.122 -2.479 1.00 0.00 H new ATOM 849 N ALA A 61 2.325 4.590 -4.415 1.00 0.00 N ATOM 850 CA ALA A 61 3.055 4.243 -5.628 1.00 0.00 C ATOM 851 C ALA A 61 4.221 3.310 -5.318 1.00 0.00 C ATOM 852 O ALA A 61 4.273 2.184 -5.811 1.00 0.00 O ATOM 853 CB ALA A 61 3.554 5.502 -6.322 1.00 0.00 C ATOM 0 H ALA A 61 1.972 5.547 -4.394 1.00 0.00 H new ATOM 0 HA ALA A 61 2.372 3.719 -6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.097 5.228 -7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.705 6.133 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.217 6.048 -5.652 1.00 0.00 H new ATOM 859 N GLU A 62 5.154 3.788 -4.501 1.00 0.00 N ATOM 860 CA GLU A 62 6.320 2.996 -4.128 1.00 0.00 C ATOM 861 C GLU A 62 5.903 1.619 -3.620 1.00 0.00 C ATOM 862 O GLU A 62 6.475 0.600 -4.010 1.00 0.00 O ATOM 863 CB GLU A 62 7.136 3.721 -3.056 1.00 0.00 C ATOM 864 CG GLU A 62 7.835 4.970 -3.565 1.00 0.00 C ATOM 865 CD GLU A 62 6.922 6.180 -3.592 1.00 0.00 C ATOM 866 OE1 GLU A 62 6.560 6.676 -2.504 1.00 0.00 O ATOM 867 OE2 GLU A 62 6.569 6.632 -4.702 1.00 0.00 O ATOM 0 H GLU A 62 5.125 4.719 -4.085 1.00 0.00 H new ATOM 0 HA GLU A 62 6.937 2.865 -5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.477 3.994 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.882 3.036 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.696 5.183 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.216 4.785 -4.569 1.00 0.00 H new ATOM 874 N LEU A 63 4.902 1.595 -2.747 1.00 0.00 N ATOM 875 CA LEU A 63 4.406 0.344 -2.184 1.00 0.00 C ATOM 876 C LEU A 63 3.911 -0.589 -3.283 1.00 0.00 C ATOM 877 O LEU A 63 4.287 -1.760 -3.334 1.00 0.00 O ATOM 878 CB LEU A 63 3.279 0.621 -1.187 1.00 0.00 C ATOM 879 CG LEU A 63 3.705 1.189 0.167 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.501 1.736 0.919 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.413 0.124 0.993 1.00 0.00 C ATOM 0 H LEU A 63 4.418 2.428 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 63 5.230 -0.143 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.578 1.318 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.737 -0.309 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 63 4.402 2.009 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.823 2.136 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.036 2.529 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.780 0.935 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.709 0.546 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.739 -0.716 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.299 -0.221 0.460 1.00 0.00 H new ATOM 893 N ALA A 64 3.066 -0.062 -4.164 1.00 0.00 N ATOM 894 CA ALA A 64 2.522 -0.847 -5.265 1.00 0.00 C ATOM 895 C ALA A 64 3.602 -1.709 -5.911 1.00 0.00 C ATOM 896 O ALA A 64 3.476 -2.931 -5.980 1.00 0.00 O ATOM 897 CB ALA A 64 1.885 0.068 -6.301 1.00 0.00 C ATOM 0 H ALA A 64 2.744 0.905 -4.136 1.00 0.00 H new ATOM 0 HA ALA A 64 1.757 -1.511 -4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.483 -0.531 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.079 0.637 -5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.636 0.755 -6.691 1.00 0.00 H new ATOM 903 N LYS A 65 4.663 -1.064 -6.383 1.00 0.00 N ATOM 904 CA LYS A 65 5.766 -1.771 -7.023 1.00 0.00 C ATOM 905 C LYS A 65 6.513 -2.640 -6.016 1.00 0.00 C ATOM 906 O LYS A 65 6.906 -3.764 -6.325 1.00 0.00 O ATOM 907 CB LYS A 65 6.732 -0.774 -7.667 1.00 0.00 C ATOM 908 CG LYS A 65 7.161 0.347 -6.736 1.00 0.00 C ATOM 909 CD LYS A 65 8.190 1.253 -7.391 1.00 0.00 C ATOM 910 CE LYS A 65 7.559 2.130 -8.462 1.00 0.00 C ATOM 911 NZ LYS A 65 6.903 3.333 -7.879 1.00 0.00 N ATOM 0 H LYS A 65 4.783 -0.052 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 65 5.350 -2.417 -7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.618 -1.309 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.260 -0.341 -8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.290 0.934 -6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.577 -0.077 -5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.658 1.882 -6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.980 0.647 -7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.324 2.442 -9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.824 1.550 -9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.485 3.904 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.156 3.036 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.609 3.900 -7.368 1.00 0.00 H new ATOM 925 N GLU A 66 6.704 -2.111 -4.811 1.00 0.00 N ATOM 926 CA GLU A 66 7.403 -2.840 -3.760 1.00 0.00 C ATOM 927 C GLU A 66 6.726 -4.179 -3.484 1.00 0.00 C ATOM 928 O GLU A 66 7.390 -5.177 -3.201 1.00 0.00 O ATOM 929 CB GLU A 66 7.452 -2.007 -2.477 1.00 0.00 C ATOM 930 CG GLU A 66 8.403 -2.559 -1.429 1.00 0.00 C ATOM 931 CD GLU A 66 9.823 -2.696 -1.943 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.099 -3.671 -2.673 1.00 0.00 O ATOM 933 OE2 GLU A 66 10.658 -1.826 -1.616 1.00 0.00 O ATOM 0 H GLU A 66 6.385 -1.181 -4.539 1.00 0.00 H new ATOM 0 HA GLU A 66 8.421 -3.030 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.751 -0.989 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.450 -1.950 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.398 -1.904 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.045 -3.534 -1.097 1.00 0.00 H new ATOM 940 N LEU A 67 5.400 -4.194 -3.568 1.00 0.00 N ATOM 941 CA LEU A 67 4.631 -5.410 -3.328 1.00 0.00 C ATOM 942 C LEU A 67 3.747 -5.741 -4.526 1.00 0.00 C ATOM 943 O LEU A 67 2.602 -5.301 -4.624 1.00 0.00 O ATOM 944 CB LEU A 67 3.771 -5.254 -2.072 1.00 0.00 C ATOM 945 CG LEU A 67 4.491 -4.738 -0.826 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.492 -4.170 0.171 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.312 -5.848 -0.186 1.00 0.00 C ATOM 0 H LEU A 67 4.835 -3.377 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 67 5.333 -6.231 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.950 -4.575 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.328 -6.222 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 67 5.169 -3.939 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.023 -3.808 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.947 -3.346 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.789 -4.949 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.817 -5.462 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.654 -6.668 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.053 -6.209 -0.899 1.00 0.00 H new ATOM 959 N PRO A 68 4.289 -6.539 -5.459 1.00 0.00 N ATOM 960 CA PRO A 68 3.565 -6.949 -6.666 1.00 0.00 C ATOM 961 C PRO A 68 2.428 -7.917 -6.359 1.00 0.00 C ATOM 962 O PRO A 68 1.547 -8.136 -7.190 1.00 0.00 O ATOM 963 CB PRO A 68 4.642 -7.639 -7.507 1.00 0.00 C ATOM 964 CG PRO A 68 5.649 -8.114 -6.518 1.00 0.00 C ATOM 965 CD PRO A 68 5.649 -7.101 -5.407 1.00 0.00 C ATOM 0 HA PRO A 68 3.091 -6.103 -7.165 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.227 -8.469 -8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.087 -6.949 -8.224 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.391 -9.104 -6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.636 -8.193 -6.974 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.856 -7.563 -4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.407 -6.334 -5.563 1.00 0.00 H new ATOM 973 N GLN A 69 2.453 -8.492 -5.161 1.00 0.00 N ATOM 974 CA GLN A 69 1.423 -9.437 -4.745 1.00 0.00 C ATOM 975 C GLN A 69 0.250 -8.712 -4.095 1.00 0.00 C ATOM 976 O GLN A 69 -0.642 -9.340 -3.525 1.00 0.00 O ATOM 977 CB GLN A 69 2.006 -10.464 -3.773 1.00 0.00 C ATOM 978 CG GLN A 69 2.410 -9.872 -2.432 1.00 0.00 C ATOM 979 CD GLN A 69 3.008 -10.903 -1.496 1.00 0.00 C ATOM 980 OE1 GLN A 69 2.526 -12.033 -1.407 1.00 0.00 O ATOM 981 NE2 GLN A 69 4.066 -10.519 -0.791 1.00 0.00 N ATOM 0 H GLN A 69 3.175 -8.320 -4.461 1.00 0.00 H new ATOM 0 HA GLN A 69 1.059 -9.954 -5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.272 -11.252 -3.606 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.877 -10.932 -4.231 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.133 -9.072 -2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.537 -9.421 -1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.433 -9.573 -0.896 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.512 -11.170 -0.145 1.00 0.00 H new ATOM 990 N VAL A 70 0.258 -7.386 -4.183 1.00 0.00 N ATOM 991 CA VAL A 70 -0.806 -6.574 -3.604 1.00 0.00 C ATOM 992 C VAL A 70 -1.453 -5.682 -4.657 1.00 0.00 C ATOM 993 O VAL A 70 -0.809 -5.281 -5.626 1.00 0.00 O ATOM 994 CB VAL A 70 -0.279 -5.694 -2.455 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.401 -4.849 -1.872 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.367 -6.554 -1.379 1.00 0.00 C ATOM 0 H VAL A 70 0.990 -6.851 -4.650 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.552 -7.265 -3.210 1.00 0.00 H new ATOM 0 HB VAL A 70 0.480 -5.021 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.010 -4.234 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.814 -4.206 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.185 -5.501 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.734 -5.916 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.369 -7.253 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.200 -7.110 -1.809 1.00 0.00 H new ATOM 1006 N SER A 71 -2.731 -5.375 -4.461 1.00 0.00 N ATOM 1007 CA SER A 71 -3.467 -4.533 -5.396 1.00 0.00 C ATOM 1008 C SER A 71 -3.893 -3.227 -4.732 1.00 0.00 C ATOM 1009 O SER A 71 -4.771 -3.213 -3.869 1.00 0.00 O ATOM 1010 CB SER A 71 -4.698 -5.274 -5.924 1.00 0.00 C ATOM 1011 OG SER A 71 -4.366 -6.085 -7.038 1.00 0.00 O ATOM 0 H SER A 71 -3.278 -5.697 -3.663 1.00 0.00 H new ATOM 0 HA SER A 71 -2.807 -4.298 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.121 -5.893 -5.133 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.465 -4.554 -6.210 1.00 0.00 H new ATOM 0 HG SER A 71 -4.184 -6.999 -6.735 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.263 -2.130 -5.141 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.574 -0.818 -4.586 1.00 0.00 C ATOM 1019 C PHE A 72 -4.573 -0.077 -5.469 1.00 0.00 C ATOM 1020 O PHE A 72 -4.335 0.128 -6.659 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.297 0.011 -4.434 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.404 -0.461 -3.322 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.472 -1.462 -3.542 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.497 0.097 -2.058 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.350 -1.899 -2.521 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.677 -0.335 -1.032 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.248 -1.334 -1.264 1.00 0.00 C ATOM 0 H PHE A 72 -2.534 -2.124 -5.855 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.023 -0.964 -3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.742 -0.017 -5.372 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.568 1.051 -4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.387 -1.906 -4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.218 0.879 -1.871 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.071 -2.681 -2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.760 0.108 -0.051 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.890 -1.673 -0.465 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.695 0.323 -4.877 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.731 1.042 -5.609 1.00 0.00 C ATOM 1039 C VAL A 73 -7.203 2.266 -4.832 1.00 0.00 C ATOM 1040 O VAL A 73 -7.452 2.193 -3.629 1.00 0.00 O ATOM 1041 CB VAL A 73 -7.941 0.136 -5.904 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.530 -1.035 -6.784 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.567 -0.355 -4.607 1.00 0.00 C ATOM 0 H VAL A 73 -5.909 0.161 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.289 1.362 -6.552 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.687 0.720 -6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.398 -1.664 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.132 -0.660 -7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.765 -1.622 -6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.421 -0.994 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.830 -0.923 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.900 0.499 -4.017 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.326 3.391 -5.529 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.771 4.632 -4.906 1.00 0.00 C ATOM 1055 C LYS A 74 -9.142 5.044 -5.433 1.00 0.00 C ATOM 1056 O LYS A 74 -9.386 5.026 -6.640 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.757 5.748 -5.165 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.696 6.190 -6.617 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.460 7.030 -6.894 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.708 8.501 -6.594 1.00 0.00 C ATOM 1061 NZ LYS A 74 -5.376 8.842 -5.183 1.00 0.00 N ATOM 0 H LYS A 74 -7.124 3.469 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.850 4.463 -3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.008 6.607 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.769 5.408 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.694 5.314 -7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.590 6.765 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.630 6.669 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.166 6.915 -7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.109 9.115 -7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.753 8.740 -6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.017 9.588 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.485 7.997 -4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.394 9.180 -5.129 1.00 0.00 H new ATOM 1075 N LEU A 75 -10.033 5.416 -4.521 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.380 5.834 -4.893 1.00 0.00 C ATOM 1077 C LEU A 75 -11.722 7.185 -4.273 1.00 0.00 C ATOM 1078 O LEU A 75 -11.315 7.484 -3.151 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.402 4.785 -4.453 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.871 5.195 -4.552 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.763 3.967 -4.644 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -14.266 6.056 -3.361 1.00 0.00 C ATOM 0 H LEU A 75 -9.847 5.437 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.415 5.933 -5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.255 3.889 -5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.191 4.513 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.004 5.783 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.805 4.279 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.497 3.390 -5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.627 3.351 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.315 6.339 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.117 5.493 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.649 6.954 -3.341 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.473 7.997 -5.011 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.870 9.315 -4.532 1.00 0.00 C ATOM 1096 C GLU A 76 -14.167 9.236 -3.732 1.00 0.00 C ATOM 1097 O GLU A 76 -15.241 9.017 -4.292 1.00 0.00 O ATOM 1098 CB GLU A 76 -13.041 10.280 -5.708 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.985 11.744 -5.307 1.00 0.00 C ATOM 1100 CD GLU A 76 -13.161 12.679 -6.487 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -12.692 12.334 -7.592 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -13.768 13.756 -6.307 1.00 0.00 O ATOM 0 H GLU A 76 -12.818 7.765 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.082 9.687 -3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.262 10.084 -6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.996 10.081 -6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.762 11.945 -4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.029 11.949 -4.826 1.00 0.00 H new ATOM 1109 N ALA A 77 -14.058 9.414 -2.420 1.00 0.00 N ATOM 1110 CA ALA A 77 -15.222 9.363 -1.543 1.00 0.00 C ATOM 1111 C ALA A 77 -16.402 10.112 -2.153 1.00 0.00 C ATOM 1112 O ALA A 77 -17.501 9.570 -2.264 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.878 9.940 -0.177 1.00 0.00 C ATOM 0 H ALA A 77 -13.176 9.595 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.511 8.319 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.756 9.896 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.070 9.361 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.562 10.977 -0.289 1.00 0.00 H new ATOM 1119 N GLU A 78 -16.166 11.359 -2.547 1.00 0.00 N ATOM 1120 CA GLU A 78 -17.212 12.181 -3.145 1.00 0.00 C ATOM 1121 C GLU A 78 -17.596 11.654 -4.525 1.00 0.00 C ATOM 1122 O GLU A 78 -18.713 11.869 -4.994 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.748 13.635 -3.254 1.00 0.00 C ATOM 1124 CG GLU A 78 -16.729 14.369 -1.924 1.00 0.00 C ATOM 1125 CD GLU A 78 -18.120 14.631 -1.381 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -18.887 15.362 -2.042 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -18.442 14.104 -0.296 1.00 0.00 O ATOM 0 H GLU A 78 -15.261 11.822 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.089 12.134 -2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.747 13.657 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.404 14.166 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.164 13.783 -1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.206 15.318 -2.044 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.661 10.963 -5.169 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.921 10.416 -6.489 1.00 0.00 C ATOM 1136 C GLY A 79 -17.840 9.212 -6.447 1.00 0.00 C ATOM 1137 O GLY A 79 -18.721 9.064 -7.294 1.00 0.00 O ATOM 0 H GLY A 79 -15.729 10.772 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.366 11.187 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.977 10.132 -6.954 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.636 8.346 -5.458 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.453 7.148 -5.310 1.00 0.00 C ATOM 1143 C VAL A 80 -19.085 7.083 -3.923 1.00 0.00 C ATOM 1144 O VAL A 80 -18.597 6.398 -3.024 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.625 5.871 -5.545 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.496 4.634 -5.390 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.973 5.905 -6.919 1.00 0.00 C ATOM 0 H VAL A 80 -16.912 8.453 -4.748 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.239 7.205 -6.063 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.836 5.827 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.894 3.741 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.911 4.605 -4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.308 4.667 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.392 4.995 -7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.744 5.973 -7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.315 6.771 -6.988 1.00 0.00 H new ATOM 1157 N PRO A 81 -20.196 7.812 -3.745 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.920 7.852 -2.471 1.00 0.00 C ATOM 1159 C PRO A 81 -21.617 6.533 -2.158 1.00 0.00 C ATOM 1160 O PRO A 81 -21.982 6.270 -1.012 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.951 8.964 -2.683 1.00 0.00 C ATOM 1162 CG PRO A 81 -22.157 9.012 -4.158 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.833 8.652 -4.773 1.00 0.00 C ATOM 0 HA PRO A 81 -20.251 8.027 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.882 8.746 -2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.588 9.919 -2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.934 8.312 -4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.478 10.004 -4.475 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.959 8.112 -5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -20.238 9.538 -4.993 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.798 5.706 -3.183 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.452 4.414 -3.015 1.00 0.00 C ATOM 1173 C GLU A 82 -21.677 3.535 -2.037 1.00 0.00 C ATOM 1174 O GLU A 82 -22.262 2.894 -1.164 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.580 3.703 -4.364 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.108 2.282 -4.256 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.621 2.226 -4.179 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -25.221 3.153 -3.596 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.206 1.255 -4.703 1.00 0.00 O ATOM 0 H GLU A 82 -21.501 5.908 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.448 4.590 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -23.244 4.280 -5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.604 3.683 -4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -22.770 1.706 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -22.685 1.808 -3.370 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.357 3.509 -2.191 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.501 2.710 -1.322 1.00 0.00 C ATOM 1188 C VAL A 83 -19.272 3.407 0.014 1.00 0.00 C ATOM 1189 O VAL A 83 -19.408 2.798 1.075 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.139 2.428 -1.982 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.246 1.629 -1.045 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.328 1.696 -3.303 1.00 0.00 C ATOM 0 H VAL A 83 -19.857 4.032 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 83 -20.016 1.765 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.651 3.381 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.288 1.439 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.083 2.194 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.726 0.680 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.355 1.505 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.837 0.749 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.927 2.309 -3.976 1.00 0.00 H new ATOM 1202 N SER A 84 -18.923 4.688 -0.045 1.00 0.00 N ATOM 1203 CA SER A 84 -18.670 5.468 1.161 1.00 0.00 C ATOM 1204 C SER A 84 -19.815 5.313 2.158 1.00 0.00 C ATOM 1205 O SER A 84 -19.592 5.201 3.362 1.00 0.00 O ATOM 1206 CB SER A 84 -18.483 6.945 0.809 1.00 0.00 C ATOM 1207 OG SER A 84 -17.317 7.139 0.027 1.00 0.00 O ATOM 0 H SER A 84 -18.809 5.208 -0.915 1.00 0.00 H new ATOM 0 HA SER A 84 -17.756 5.093 1.621 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.355 7.305 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.414 7.534 1.723 1.00 0.00 H new ATOM 0 HG SER A 84 -17.474 7.856 -0.623 1.00 0.00 H new ATOM 1213 N GLU A 85 -21.042 5.307 1.645 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.222 5.167 2.489 1.00 0.00 C ATOM 1215 C GLU A 85 -22.210 3.829 3.222 1.00 0.00 C ATOM 1216 O GLU A 85 -22.339 3.776 4.446 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.495 5.290 1.650 1.00 0.00 C ATOM 1218 CG GLU A 85 -24.707 5.744 2.445 1.00 0.00 C ATOM 1219 CD GLU A 85 -24.573 7.167 2.951 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -24.066 8.020 2.193 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -24.975 7.427 4.104 1.00 0.00 O ATOM 0 H GLU A 85 -21.244 5.397 0.649 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.205 5.968 3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.318 5.996 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.712 4.325 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -25.597 5.667 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -24.853 5.073 3.292 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.055 2.748 2.466 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.025 1.408 3.041 1.00 0.00 C ATOM 1230 C LYS A 86 -21.135 1.367 4.279 1.00 0.00 C ATOM 1231 O LYS A 86 -21.597 1.061 5.378 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.526 0.397 2.006 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.676 -1.048 2.446 1.00 0.00 C ATOM 1234 CD LYS A 86 -20.647 -1.945 1.778 1.00 0.00 C ATOM 1235 CE LYS A 86 -21.043 -2.279 0.349 1.00 0.00 C ATOM 1236 NZ LYS A 86 -21.940 -3.466 0.285 1.00 0.00 N ATOM 0 H LYS A 86 -21.948 2.773 1.452 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.040 1.144 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.073 0.543 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.476 0.596 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.568 -1.113 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.679 -1.401 2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.675 -1.451 1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.539 -2.866 2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.544 -1.421 -0.099 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.147 -2.469 -0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.187 -3.661 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.453 -4.291 0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -22.807 -3.276 0.827 1.00 0.00 H new ATOM 1250 N TYR A 87 -19.857 1.678 4.093 1.00 0.00 N ATOM 1251 CA TYR A 87 -18.902 1.676 5.194 1.00 0.00 C ATOM 1252 C TYR A 87 -18.999 2.966 6.003 1.00 0.00 C ATOM 1253 O TYR A 87 -18.436 3.073 7.091 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.479 1.500 4.662 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.279 0.225 3.876 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -17.515 0.184 2.507 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -16.853 -0.941 4.502 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -17.335 -0.979 1.785 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -16.669 -2.109 3.787 1.00 0.00 C ATOM 1260 CZ TYR A 87 -16.912 -2.123 2.429 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.730 -3.284 1.713 1.00 0.00 O ATOM 0 H TYR A 87 -19.459 1.935 3.190 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.144 0.839 5.849 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.230 2.351 4.028 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.783 1.513 5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -17.845 1.078 1.999 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -16.663 -0.934 5.565 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -17.524 -0.993 0.722 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -16.337 -3.006 4.288 1.00 0.00 H new ATOM 0 HH TYR A 87 -15.784 -3.375 1.473 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.719 3.943 5.461 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.891 5.227 6.131 1.00 0.00 C ATOM 1273 C GLU A 88 -18.550 5.934 6.304 1.00 0.00 C ATOM 1274 O GLU A 88 -18.220 6.403 7.394 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.556 5.030 7.495 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.926 4.377 7.415 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.459 3.972 8.776 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -21.638 3.710 9.680 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -23.696 3.915 8.937 1.00 0.00 O ATOM 0 H GLU A 88 -20.192 3.870 4.560 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.533 5.850 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.907 4.418 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.652 5.998 7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.627 5.067 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.868 3.497 6.775 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.781 6.005 5.223 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.477 6.655 5.255 1.00 0.00 C ATOM 1288 C ILE A 89 -16.612 8.167 5.113 1.00 0.00 C ATOM 1289 O ILE A 89 -16.565 8.704 4.007 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.557 6.126 4.138 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.232 4.649 4.372 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.280 6.951 4.069 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.288 4.414 5.530 1.00 0.00 C ATOM 0 H ILE A 89 -18.038 5.620 4.314 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.032 6.422 6.222 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.077 6.217 3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.159 4.106 4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.792 4.234 3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.640 6.565 3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.530 7.991 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.754 6.888 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.102 3.345 5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.346 4.929 5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.734 4.798 6.447 1.00 0.00 H new ATOM 1305 N SER A 90 -16.778 8.849 6.242 1.00 0.00 N ATOM 1306 CA SER A 90 -16.922 10.300 6.245 1.00 0.00 C ATOM 1307 C SER A 90 -15.657 10.970 6.773 1.00 0.00 C ATOM 1308 O SER A 90 -15.724 11.953 7.512 1.00 0.00 O ATOM 1309 CB SER A 90 -18.124 10.713 7.095 1.00 0.00 C ATOM 1310 OG SER A 90 -19.342 10.365 6.459 1.00 0.00 O ATOM 0 H SER A 90 -16.816 8.420 7.166 1.00 0.00 H new ATOM 0 HA SER A 90 -17.084 10.626 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.068 10.229 8.070 1.00 0.00 H new ATOM 0 HB3 SER A 90 -18.096 11.788 7.271 1.00 0.00 H new ATOM 0 HG SER A 90 -20.095 10.638 7.023 1.00 0.00 H new ATOM 1316 N SER A 91 -14.504 10.432 6.388 1.00 0.00 N ATOM 1317 CA SER A 91 -13.223 10.974 6.825 1.00 0.00 C ATOM 1318 C SER A 91 -12.106 10.566 5.869 1.00 0.00 C ATOM 1319 O SER A 91 -12.010 9.407 5.467 1.00 0.00 O ATOM 1320 CB SER A 91 -12.899 10.495 8.241 1.00 0.00 C ATOM 1321 OG SER A 91 -12.588 9.113 8.253 1.00 0.00 O ATOM 0 H SER A 91 -14.431 9.621 5.774 1.00 0.00 H new ATOM 0 HA SER A 91 -13.298 12.061 6.826 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.058 11.064 8.637 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.749 10.685 8.896 1.00 0.00 H new ATOM 0 HG SER A 91 -12.383 8.832 9.169 1.00 0.00 H new ATOM 1327 N VAL A 92 -11.263 11.528 5.510 1.00 0.00 N ATOM 1328 CA VAL A 92 -10.151 11.271 4.602 1.00 0.00 C ATOM 1329 C VAL A 92 -8.903 12.034 5.032 1.00 0.00 C ATOM 1330 O VAL A 92 -8.976 13.106 5.631 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.505 11.661 3.155 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.757 10.929 2.696 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.685 13.167 3.039 1.00 0.00 C ATOM 0 H VAL A 92 -11.328 12.493 5.834 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.951 10.200 4.642 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.682 11.365 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.992 11.217 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.586 9.853 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.591 11.191 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.935 13.425 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.490 13.489 3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.759 13.667 3.324 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.727 11.469 4.718 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.627 10.192 4.005 1.00 0.00 C ATOM 1345 C PRO A 93 -8.076 9.013 4.862 1.00 0.00 C ATOM 1346 O PRO A 93 -8.208 9.132 6.081 1.00 0.00 O ATOM 1347 CB PRO A 93 -6.135 10.082 3.683 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.460 10.906 4.725 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.405 12.034 5.036 1.00 0.00 C ATOM 0 HA PRO A 93 -8.270 10.165 3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.798 9.046 3.718 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.918 10.454 2.682 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.252 10.314 5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.504 11.286 4.364 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.338 12.337 6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.190 12.916 4.433 1.00 0.00 H new ATOM 1357 N THR A 94 -8.310 7.874 4.217 1.00 0.00 N ATOM 1358 CA THR A 94 -8.745 6.674 4.920 1.00 0.00 C ATOM 1359 C THR A 94 -8.486 5.424 4.086 1.00 0.00 C ATOM 1360 O THR A 94 -8.838 5.368 2.907 1.00 0.00 O ATOM 1361 CB THR A 94 -10.243 6.741 5.272 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.460 7.709 6.304 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.752 5.382 5.729 1.00 0.00 C ATOM 0 H THR A 94 -8.205 7.758 3.209 1.00 0.00 H new ATOM 0 HA THR A 94 -8.165 6.620 5.841 1.00 0.00 H new ATOM 0 HB THR A 94 -10.792 7.035 4.377 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.754 8.554 5.904 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.812 5.454 5.972 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.611 4.653 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.198 5.064 6.612 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.868 4.423 4.704 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.562 3.174 4.018 1.00 0.00 C ATOM 1373 C PHE A 95 -8.444 2.040 4.533 1.00 0.00 C ATOM 1374 O PHE A 95 -8.823 2.017 5.704 1.00 0.00 O ATOM 1375 CB PHE A 95 -6.087 2.813 4.205 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.144 3.898 3.768 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.815 4.935 4.626 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.587 3.881 2.499 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.948 5.934 4.227 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.719 4.877 2.095 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.400 5.906 2.960 1.00 0.00 C ATOM 0 H PHE A 95 -7.569 4.453 5.679 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.763 3.313 2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.907 2.588 5.256 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.869 1.905 3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.241 4.963 5.618 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.834 3.080 1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.699 6.736 4.906 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.290 4.851 1.104 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.723 6.687 2.646 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.766 1.102 3.649 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.604 -0.036 4.013 1.00 0.00 C ATOM 1393 C LEU A 96 -9.111 -1.313 3.340 1.00 0.00 C ATOM 1394 O LEU A 96 -9.265 -1.489 2.131 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.058 0.231 3.622 1.00 0.00 C ATOM 1396 CG LEU A 96 -11.833 1.186 4.531 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.271 1.326 4.056 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -11.790 0.703 5.973 1.00 0.00 C ATOM 0 H LEU A 96 -8.460 1.107 2.676 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.543 -0.170 5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.073 0.633 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.587 -0.722 3.594 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.359 2.167 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.807 2.009 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.282 1.719 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.756 0.350 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.347 1.395 6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.238 -0.289 6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.755 0.656 6.310 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.518 -2.202 4.130 1.00 0.00 N ATOM 1411 CA PHE A 97 -8.003 -3.463 3.611 1.00 0.00 C ATOM 1412 C PHE A 97 -9.132 -4.471 3.413 1.00 0.00 C ATOM 1413 O PHE A 97 -9.868 -4.787 4.348 1.00 0.00 O ATOM 1414 CB PHE A 97 -6.951 -4.039 4.561 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.818 -3.094 4.845 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -5.913 -2.166 5.869 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.659 -3.134 4.086 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -4.872 -1.295 6.132 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.615 -2.267 4.345 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.722 -1.345 5.369 1.00 0.00 C ATOM 0 H PHE A 97 -8.382 -2.072 5.133 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.540 -3.267 2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.432 -4.310 5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.549 -4.957 4.132 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.810 -2.122 6.469 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.571 -3.851 3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.958 -0.576 6.933 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.716 -2.310 3.748 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.908 -0.665 5.572 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.262 -4.972 2.190 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.301 -5.943 1.867 1.00 0.00 C ATOM 1432 C PHE A 98 -9.689 -7.263 1.409 1.00 0.00 C ATOM 1433 O PHE A 98 -9.003 -7.322 0.388 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.225 -5.391 0.779 1.00 0.00 C ATOM 1435 CG PHE A 98 -12.113 -4.277 1.256 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -13.161 -4.533 2.126 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.901 -2.975 0.832 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.980 -3.511 2.566 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.717 -1.949 1.270 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.758 -2.217 2.137 1.00 0.00 C ATOM 0 H PHE A 98 -8.660 -4.722 1.405 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.884 -6.127 2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.619 -5.031 -0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.846 -6.201 0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.340 -5.543 2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -11.090 -2.760 0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.793 -3.724 3.245 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.541 -0.938 0.934 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.397 -1.416 2.479 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.941 -8.322 2.171 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.417 -9.643 1.845 1.00 0.00 C ATOM 1452 C LYS A 99 -10.537 -10.580 1.407 1.00 0.00 C ATOM 1453 O LYS A 99 -11.515 -10.773 2.128 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.684 -10.235 3.050 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.228 -9.813 3.145 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.316 -10.789 2.420 1.00 0.00 C ATOM 1457 CE LYS A 99 -4.943 -10.857 3.070 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.880 -11.903 4.127 1.00 0.00 N ATOM 0 H LYS A 99 -10.506 -8.291 3.020 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.715 -9.534 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.200 -9.935 3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.735 -11.323 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.108 -8.817 2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.934 -9.749 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.769 -11.780 2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.212 -10.486 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.191 -11.065 2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.698 -9.887 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.928 -11.917 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.580 -11.692 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.088 -12.832 3.709 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.387 -11.161 0.221 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.387 -12.080 -0.312 1.00 0.00 C ATOM 1474 C ASN A 100 -12.781 -11.462 -0.250 1.00 0.00 C ATOM 1475 O ASN A 100 -13.776 -12.167 -0.085 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.365 -13.397 0.466 1.00 0.00 C ATOM 1477 CG ASN A 100 -11.843 -14.570 -0.369 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -11.813 -14.523 -1.599 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -12.286 -15.629 0.297 1.00 0.00 N ATOM 0 H ASN A 100 -9.583 -11.012 -0.389 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.143 -12.279 -1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.351 -13.592 0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.995 -13.304 1.351 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -12.620 -16.448 -0.211 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -12.293 -15.624 1.317 1.00 0.00 H new ATOM 1486 N SER A 101 -12.843 -10.142 -0.386 1.00 0.00 N ATOM 1487 CA SER A 101 -14.114 -9.428 -0.342 1.00 0.00 C ATOM 1488 C SER A 101 -14.637 -9.336 1.088 1.00 0.00 C ATOM 1489 O SER A 101 -15.846 -9.311 1.317 1.00 0.00 O ATOM 1490 CB SER A 101 -15.146 -10.127 -1.231 1.00 0.00 C ATOM 1491 OG SER A 101 -16.230 -9.264 -1.528 1.00 0.00 O ATOM 0 H SER A 101 -12.028 -9.545 -0.528 1.00 0.00 H new ATOM 0 HA SER A 101 -13.948 -8.417 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.672 -10.453 -2.157 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.516 -11.022 -0.730 1.00 0.00 H new ATOM 0 HG SER A 101 -16.589 -8.892 -0.696 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.717 -9.286 2.046 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.084 -9.198 3.454 1.00 0.00 C ATOM 1499 C GLN A 102 -13.088 -8.337 4.224 1.00 0.00 C ATOM 1500 O GLN A 102 -11.914 -8.688 4.348 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.155 -10.595 4.073 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.175 -11.504 3.408 1.00 0.00 C ATOM 1503 CD GLN A 102 -15.585 -12.666 4.291 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -14.850 -13.062 5.196 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -16.764 -13.219 4.033 1.00 0.00 N ATOM 0 H GLN A 102 -12.712 -9.305 1.872 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.066 -8.730 3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.171 -11.061 4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.399 -10.502 5.131 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.059 -10.922 3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -14.760 -11.889 2.477 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.341 -12.859 3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.093 -14.004 4.595 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.563 -7.209 4.739 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.715 -6.297 5.498 1.00 0.00 C ATOM 1516 C LYS A 103 -12.115 -6.997 6.714 1.00 0.00 C ATOM 1517 O LYS A 103 -12.835 -7.590 7.518 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.518 -5.074 5.945 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.654 -3.924 6.433 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.498 -2.733 6.858 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.268 -3.025 8.137 1.00 0.00 C ATOM 1522 NZ LYS A 103 -14.742 -1.776 8.795 1.00 0.00 N ATOM 0 H LYS A 103 -14.532 -6.904 4.645 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.901 -5.972 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.132 -4.729 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.200 -5.369 6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.044 -4.257 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.969 -3.621 5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.856 -1.865 7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.197 -2.478 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.122 -3.663 7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.631 -3.580 8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.262 -2.017 9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.925 -1.179 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.370 -1.259 8.147 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.795 -6.922 6.842 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.100 -7.546 7.961 1.00 0.00 C ATOM 1538 C ILE A 104 -9.360 -6.507 8.797 1.00 0.00 C ATOM 1539 O ILE A 104 -9.074 -6.732 9.973 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.096 -8.609 7.478 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.047 -7.973 6.563 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -9.822 -9.735 6.757 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.715 -8.690 6.582 1.00 0.00 C ATOM 0 H ILE A 104 -10.185 -6.435 6.185 1.00 0.00 H new ATOM 0 HA ILE A 104 -10.860 -8.029 8.575 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.588 -9.028 8.346 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.428 -7.958 5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.897 -6.936 6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.099 -10.478 6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.534 -10.203 7.437 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.354 -9.332 5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.020 -8.185 5.911 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.312 -8.682 7.595 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.852 -9.720 6.254 1.00 0.00 H new ATOM 1555 N ASP A 105 -9.056 -5.369 8.183 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.352 -4.293 8.871 1.00 0.00 C ATOM 1557 C ASP A 105 -8.646 -2.947 8.218 1.00 0.00 C ATOM 1558 O ASP A 105 -9.131 -2.887 7.088 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.846 -4.558 8.869 1.00 0.00 C ATOM 1560 CG ASP A 105 -6.150 -3.952 10.072 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.853 -3.530 11.013 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -4.902 -3.899 10.072 1.00 0.00 O ATOM 0 H ASP A 105 -9.286 -5.168 7.210 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.706 -4.261 9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.669 -5.633 8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.410 -4.151 7.957 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.350 -1.869 8.936 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.584 -0.523 8.427 1.00 0.00 C ATOM 1569 C ARG A 106 -7.691 0.490 9.137 1.00 0.00 C ATOM 1570 O ARG A 106 -7.509 0.429 10.354 1.00 0.00 O ATOM 1571 CB ARG A 106 -10.054 -0.136 8.606 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.292 1.365 8.610 1.00 0.00 C ATOM 1573 CD ARG A 106 -10.321 1.920 10.026 1.00 0.00 C ATOM 1574 NE ARG A 106 -10.614 3.350 10.047 1.00 0.00 N ATOM 1575 CZ ARG A 106 -11.152 3.975 11.089 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -11.452 3.298 12.189 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -11.389 5.279 11.032 1.00 0.00 N ATOM 0 H ARG A 106 -7.947 -1.901 9.873 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.339 -0.516 7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.640 -0.586 7.804 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.420 -0.556 9.543 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.506 1.861 8.040 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -11.236 1.586 8.112 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.072 1.387 10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.359 1.740 10.506 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.394 3.899 9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.270 2.296 12.236 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.865 3.780 12.988 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.158 5.803 10.188 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.802 5.758 11.832 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.135 1.421 8.370 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.260 2.448 8.924 1.00 0.00 C ATOM 1593 C LEU A 107 -6.955 3.805 8.940 1.00 0.00 C ATOM 1594 O LEU A 107 -7.613 4.188 7.973 1.00 0.00 O ATOM 1595 CB LEU A 107 -4.965 2.535 8.114 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.730 3.023 8.872 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.463 2.688 8.101 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.820 4.519 9.131 1.00 0.00 C ATOM 0 H LEU A 107 -7.275 1.486 7.362 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.021 2.171 9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.749 1.548 7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.134 3.201 7.268 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.691 2.510 9.833 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.595 3.043 8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.392 1.608 7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.492 3.172 7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.933 4.849 9.671 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.884 5.050 8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.708 4.732 9.727 1.00 0.00 H new ATOM 1610 N ASP A 108 -6.802 4.529 10.044 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.413 5.846 10.185 1.00 0.00 C ATOM 1612 C ASP A 108 -6.353 6.911 10.449 1.00 0.00 C ATOM 1613 O ASP A 108 -5.639 6.856 11.449 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.439 5.838 11.319 1.00 0.00 C ATOM 1615 CG ASP A 108 -7.802 6.054 12.677 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -7.191 5.100 13.204 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -7.915 7.176 13.215 1.00 0.00 O ATOM 0 H ASP A 108 -6.261 4.226 10.854 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.919 6.086 9.250 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.180 6.617 11.140 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.971 4.886 11.317 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.255 7.880 9.543 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.279 8.943 9.696 1.00 0.00 C ATOM 1624 C GLY A 109 -4.100 8.786 8.757 1.00 0.00 C ATOM 1625 O GLY A 109 -3.522 7.705 8.650 1.00 0.00 O ATOM 0 H GLY A 109 -6.834 7.947 8.706 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.761 9.903 9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.921 8.958 10.725 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.743 9.868 8.073 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.625 9.846 7.138 1.00 0.00 C ATOM 1631 C ALA A 110 -1.341 9.397 7.828 1.00 0.00 C ATOM 1632 O ALA A 110 -0.702 10.174 8.539 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.436 11.219 6.509 1.00 0.00 C ATOM 0 H ALA A 110 -4.212 10.771 8.149 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.855 9.127 6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.598 11.188 5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.342 11.502 5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.232 11.952 7.290 1.00 0.00 H new ATOM 1639 N HIS A 111 -0.969 8.139 7.614 1.00 0.00 N ATOM 1640 CA HIS A 111 0.240 7.587 8.216 1.00 0.00 C ATOM 1641 C HIS A 111 1.120 6.927 7.159 1.00 0.00 C ATOM 1642 O HIS A 111 0.707 5.973 6.500 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.123 6.572 9.300 1.00 0.00 C ATOM 1644 CG HIS A 111 -0.740 7.190 10.517 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -1.973 7.043 11.056 1.00 0.00 N flip ATOM 1646 CD2 HIS A 111 -0.071 8.080 11.330 1.00 0.00 C flip ATOM 1647 CE1 HIS A 111 -2.025 7.838 12.175 1.00 0.00 C flip ATOM 1648 NE2 HIS A 111 -0.865 8.452 12.318 1.00 0.00 N flip ATOM 0 H HIS A 111 -1.487 7.483 7.029 1.00 0.00 H new ATOM 0 HA HIS A 111 0.798 8.407 8.668 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.815 5.840 8.884 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.776 6.030 9.594 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.943 8.420 11.182 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.876 7.944 12.831 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -0.623 9.103 13.065 1.00 0.00 H new ATOM 1657 N ALA A 112 2.335 7.443 7.002 1.00 0.00 N ATOM 1658 CA ALA A 112 3.274 6.903 6.026 1.00 0.00 C ATOM 1659 C ALA A 112 3.750 5.513 6.433 1.00 0.00 C ATOM 1660 O ALA A 112 3.568 4.532 5.712 1.00 0.00 O ATOM 1661 CB ALA A 112 4.460 7.841 5.860 1.00 0.00 C ATOM 0 H ALA A 112 2.692 8.234 7.538 1.00 0.00 H new ATOM 0 HA ALA A 112 2.757 6.816 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.153 7.425 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.109 8.814 5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.969 7.957 6.817 1.00 0.00 H new ATOM 1667 N PRO A 113 4.375 5.423 7.616 1.00 0.00 N ATOM 1668 CA PRO A 113 4.891 4.157 8.146 1.00 0.00 C ATOM 1669 C PRO A 113 3.774 3.202 8.553 1.00 0.00 C ATOM 1670 O PRO A 113 3.801 2.020 8.211 1.00 0.00 O ATOM 1671 CB PRO A 113 5.700 4.588 9.372 1.00 0.00 C ATOM 1672 CG PRO A 113 5.090 5.880 9.793 1.00 0.00 C ATOM 1673 CD PRO A 113 4.628 6.551 8.529 1.00 0.00 C ATOM 0 HA PRO A 113 5.475 3.612 7.404 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.641 3.845 10.167 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.755 4.709 9.127 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.255 5.714 10.474 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.814 6.500 10.322 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.728 7.143 8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.386 7.227 8.133 1.00 0.00 H new ATOM 1681 N GLU A 114 2.794 3.722 9.286 1.00 0.00 N ATOM 1682 CA GLU A 114 1.668 2.914 9.739 1.00 0.00 C ATOM 1683 C GLU A 114 1.024 2.174 8.571 1.00 0.00 C ATOM 1684 O GLU A 114 0.709 0.987 8.671 1.00 0.00 O ATOM 1685 CB GLU A 114 0.628 3.794 10.436 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.211 3.049 11.461 1.00 0.00 C ATOM 1687 CD GLU A 114 0.621 2.484 12.596 1.00 0.00 C ATOM 1688 OE1 GLU A 114 1.399 3.252 13.200 1.00 0.00 O ATOM 1689 OE2 GLU A 114 0.494 1.275 12.880 1.00 0.00 O ATOM 0 H GLU A 114 2.757 4.698 9.578 1.00 0.00 H new ATOM 0 HA GLU A 114 2.045 2.178 10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.137 4.623 10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.032 4.227 9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.964 3.724 11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.744 2.237 10.967 1.00 0.00 H new ATOM 1696 N LEU A 115 0.830 2.883 7.464 1.00 0.00 N ATOM 1697 CA LEU A 115 0.222 2.295 6.276 1.00 0.00 C ATOM 1698 C LEU A 115 0.994 1.059 5.824 1.00 0.00 C ATOM 1699 O LEU A 115 0.424 -0.022 5.674 1.00 0.00 O ATOM 1700 CB LEU A 115 0.173 3.321 5.143 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.530 2.873 3.861 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -2.007 2.623 4.122 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.349 3.911 2.763 1.00 0.00 C ATOM 0 H LEU A 115 1.085 3.866 7.365 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.794 1.994 6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.325 4.217 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.195 3.605 4.893 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.077 1.939 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.491 2.305 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.116 1.844 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.474 3.541 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.856 3.576 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.775 4.861 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.713 4.041 2.557 1.00 0.00 H new ATOM 1715 N THR A 116 2.296 1.225 5.612 1.00 0.00 N ATOM 1716 CA THR A 116 3.146 0.124 5.179 1.00 0.00 C ATOM 1717 C THR A 116 3.059 -1.051 6.146 1.00 0.00 C ATOM 1718 O THR A 116 3.012 -2.209 5.730 1.00 0.00 O ATOM 1719 CB THR A 116 4.617 0.565 5.056 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.736 1.610 4.085 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.502 -0.607 4.659 1.00 0.00 C ATOM 0 H THR A 116 2.784 2.112 5.733 1.00 0.00 H new ATOM 0 HA THR A 116 2.784 -0.188 4.199 1.00 0.00 H new ATOM 0 HB THR A 116 4.945 0.934 6.028 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.674 1.886 4.014 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.536 -0.271 4.578 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.432 -1.388 5.416 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.173 -1.002 3.698 1.00 0.00 H new ATOM 1729 N LYS A 117 3.036 -0.747 7.439 1.00 0.00 N ATOM 1730 CA LYS A 117 2.951 -1.778 8.467 1.00 0.00 C ATOM 1731 C LYS A 117 1.783 -2.721 8.197 1.00 0.00 C ATOM 1732 O LYS A 117 1.972 -3.924 8.014 1.00 0.00 O ATOM 1733 CB LYS A 117 2.795 -1.138 9.848 1.00 0.00 C ATOM 1734 CG LYS A 117 3.974 -0.270 10.253 1.00 0.00 C ATOM 1735 CD LYS A 117 5.063 -1.088 10.928 1.00 0.00 C ATOM 1736 CE LYS A 117 6.425 -0.426 10.788 1.00 0.00 C ATOM 1737 NZ LYS A 117 7.054 -0.724 9.472 1.00 0.00 N ATOM 0 H LYS A 117 3.075 0.206 7.800 1.00 0.00 H new ATOM 0 HA LYS A 117 3.875 -2.356 8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 117 1.889 -0.533 9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.662 -1.925 10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.383 0.225 9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.634 0.514 10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.824 -1.212 11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.095 -2.085 10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 117 6.318 0.653 10.903 1.00 0.00 H new ATOM 0 HE3 LYS A 117 7.080 -0.769 11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.980 -0.255 9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.180 -1.752 9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.442 -0.374 8.707 1.00 0.00 H new ATOM 1751 N LYS A 118 0.576 -2.168 8.172 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.624 -2.958 7.921 1.00 0.00 C ATOM 1753 C LYS A 118 -0.547 -3.647 6.562 1.00 0.00 C ATOM 1754 O LYS A 118 -0.963 -4.796 6.413 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.868 -2.069 7.985 1.00 0.00 C ATOM 1756 CG LYS A 118 -2.249 -1.657 9.396 1.00 0.00 C ATOM 1757 CD LYS A 118 -3.214 -0.483 9.392 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.769 -0.213 10.782 1.00 0.00 C ATOM 1759 NZ LYS A 118 -4.962 -1.055 11.075 1.00 0.00 N ATOM 0 H LYS A 118 0.402 -1.174 8.323 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.693 -3.724 8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.695 -1.173 7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.706 -2.598 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.704 -2.502 9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.351 -1.389 9.953 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.704 0.407 9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.035 -0.688 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.996 -0.407 11.526 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -4.037 0.840 10.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.178 -1.009 12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.776 -0.704 10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.766 -2.040 10.807 1.00 0.00 H new ATOM 1773 N VAL A 119 -0.011 -2.938 5.574 1.00 0.00 N ATOM 1774 CA VAL A 119 0.123 -3.483 4.228 1.00 0.00 C ATOM 1775 C VAL A 119 0.945 -4.766 4.233 1.00 0.00 C ATOM 1776 O VAL A 119 0.529 -5.784 3.681 1.00 0.00 O ATOM 1777 CB VAL A 119 0.781 -2.468 3.275 1.00 0.00 C ATOM 1778 CG1 VAL A 119 0.989 -3.084 1.900 1.00 0.00 C ATOM 1779 CG2 VAL A 119 -0.060 -1.204 3.180 1.00 0.00 C ATOM 0 H VAL A 119 0.337 -1.985 5.680 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.884 -3.703 3.874 1.00 0.00 H new ATOM 0 HB VAL A 119 1.757 -2.198 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.455 -2.352 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.635 -3.958 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.026 -3.384 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.420 -0.498 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.051 -1.454 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.152 -0.753 4.168 1.00 0.00 H new ATOM 1789 N GLN A 120 2.115 -4.710 4.861 1.00 0.00 N ATOM 1790 CA GLN A 120 2.997 -5.869 4.938 1.00 0.00 C ATOM 1791 C GLN A 120 2.349 -6.993 5.739 1.00 0.00 C ATOM 1792 O GLN A 120 2.284 -8.135 5.283 1.00 0.00 O ATOM 1793 CB GLN A 120 4.333 -5.478 5.574 1.00 0.00 C ATOM 1794 CG GLN A 120 5.115 -4.456 4.765 1.00 0.00 C ATOM 1795 CD GLN A 120 6.488 -4.180 5.346 1.00 0.00 C ATOM 1796 OE1 GLN A 120 6.678 -4.208 6.562 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.455 -3.911 4.476 1.00 0.00 N ATOM 0 H GLN A 120 2.474 -3.875 5.324 1.00 0.00 H new ATOM 0 HA GLN A 120 3.176 -6.226 3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.148 -5.076 6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 120 4.942 -6.373 5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.223 -4.814 3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.550 -3.525 4.719 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.253 -3.898 3.476 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.400 -3.717 4.808 1.00 0.00 H new ATOM 1806 N ARG A 121 1.872 -6.663 6.935 1.00 0.00 N ATOM 1807 CA ARG A 121 1.230 -7.646 7.799 1.00 0.00 C ATOM 1808 C ARG A 121 0.136 -8.399 7.049 1.00 0.00 C ATOM 1809 O ARG A 121 0.075 -9.628 7.087 1.00 0.00 O ATOM 1810 CB ARG A 121 0.639 -6.962 9.034 1.00 0.00 C ATOM 1811 CG ARG A 121 -0.138 -7.904 9.938 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.768 -7.162 11.106 1.00 0.00 C ATOM 1813 NE ARG A 121 -1.320 -8.076 12.102 1.00 0.00 N ATOM 1814 CZ ARG A 121 -2.220 -7.717 13.011 1.00 0.00 C ATOM 1815 NH1 ARG A 121 -2.667 -6.469 13.049 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -2.674 -8.606 13.885 1.00 0.00 N ATOM 0 H ARG A 121 1.918 -5.723 7.327 1.00 0.00 H new ATOM 0 HA ARG A 121 1.987 -8.363 8.116 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.446 -6.505 9.607 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.020 -6.155 8.712 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.916 -8.404 9.361 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.528 -8.680 10.315 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.020 -6.523 11.576 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.558 -6.509 10.736 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.997 -9.043 12.100 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.320 -5.782 12.379 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.358 -6.196 13.748 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.332 -9.567 13.860 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.365 -8.329 14.582 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.728 -7.653 6.366 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.820 -8.250 5.606 1.00 0.00 C ATOM 1832 C HIS A 122 -1.292 -8.966 4.367 1.00 0.00 C ATOM 1833 O HIS A 122 -1.746 -10.059 4.029 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.831 -7.178 5.198 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.382 -6.403 6.355 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.854 -7.000 7.505 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.533 -5.070 6.536 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -4.273 -6.068 8.342 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -4.089 -4.888 7.778 1.00 0.00 N ATOM 0 H HIS A 122 -0.692 -6.634 6.324 1.00 0.00 H new ATOM 0 HA HIS A 122 -2.316 -8.982 6.243 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.355 -6.487 4.502 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.654 -7.652 4.663 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -3.266 -4.294 5.834 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.694 -6.241 9.321 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -4.322 -3.988 8.197 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.331 -8.342 3.694 1.00 0.00 N ATOM 1849 CA ALA A 123 0.260 -8.921 2.493 1.00 0.00 C ATOM 1850 C ALA A 123 0.343 -10.440 2.599 1.00 0.00 C ATOM 1851 O ALA A 123 0.155 -11.152 1.613 1.00 0.00 O ATOM 1852 CB ALA A 123 1.640 -8.330 2.247 1.00 0.00 C ATOM 0 H ALA A 123 0.055 -7.436 3.960 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.383 -8.678 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.070 -8.771 1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.556 -7.251 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.285 -8.544 3.099 1.00 0.00 H new ATOM 1858 N SER A 124 0.627 -10.930 3.802 1.00 0.00 N ATOM 1859 CA SER A 124 0.739 -12.365 4.036 1.00 0.00 C ATOM 1860 C SER A 124 -0.447 -13.109 3.429 1.00 0.00 C ATOM 1861 O SER A 124 -1.532 -13.147 4.009 1.00 0.00 O ATOM 1862 CB SER A 124 0.824 -12.653 5.536 1.00 0.00 C ATOM 1863 OG SER A 124 2.170 -12.655 5.980 1.00 0.00 O ATOM 0 H SER A 124 0.784 -10.354 4.629 1.00 0.00 H new ATOM 0 HA SER A 124 1.651 -12.717 3.554 1.00 0.00 H new ATOM 0 HB2 SER A 124 0.257 -11.902 6.086 1.00 0.00 H new ATOM 0 HB3 SER A 124 0.366 -13.618 5.751 1.00 0.00 H new ATOM 0 HG SER A 124 2.197 -12.840 6.942 1.00 0.00 H new ATOM 1869 N SER A 125 -0.231 -13.698 2.258 1.00 0.00 N ATOM 1870 CA SER A 125 -1.282 -14.438 1.569 1.00 0.00 C ATOM 1871 C SER A 125 -0.898 -15.906 1.410 1.00 0.00 C ATOM 1872 O SER A 125 0.222 -16.304 1.728 1.00 0.00 O ATOM 1873 CB SER A 125 -1.556 -13.819 0.197 1.00 0.00 C ATOM 1874 OG SER A 125 -2.734 -14.357 -0.379 1.00 0.00 O ATOM 0 H SER A 125 0.662 -13.677 1.766 1.00 0.00 H new ATOM 0 HA SER A 125 -2.188 -14.381 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 125 -1.657 -12.738 0.296 1.00 0.00 H new ATOM 0 HB3 SER A 125 -0.708 -14.001 -0.464 1.00 0.00 H new ATOM 0 HG SER A 125 -2.888 -13.944 -1.254 1.00 0.00 H new ATOM 1880 N GLY A 126 -1.836 -16.707 0.914 1.00 0.00 N ATOM 1881 CA GLY A 126 -1.578 -18.122 0.720 1.00 0.00 C ATOM 1882 C GLY A 126 -0.670 -18.389 -0.464 1.00 0.00 C ATOM 1883 O GLY A 126 0.555 -18.312 -0.364 1.00 0.00 O ATOM 0 H GLY A 126 -2.771 -16.401 0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -1.124 -18.532 1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -2.524 -18.644 0.574 1.00 0.00 H new ATOM 1887 N PRO A 127 -1.274 -18.713 -1.616 1.00 0.00 N ATOM 1888 CA PRO A 127 -0.531 -19.000 -2.847 1.00 0.00 C ATOM 1889 C PRO A 127 0.130 -17.755 -3.429 1.00 0.00 C ATOM 1890 O PRO A 127 -0.307 -16.632 -3.175 1.00 0.00 O ATOM 1891 CB PRO A 127 -1.608 -19.528 -3.797 1.00 0.00 C ATOM 1892 CG PRO A 127 -2.878 -18.929 -3.301 1.00 0.00 C ATOM 1893 CD PRO A 127 -2.730 -18.823 -1.808 1.00 0.00 C ATOM 0 HA PRO A 127 0.286 -19.701 -2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -1.407 -19.233 -4.827 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -1.651 -20.617 -3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -3.048 -17.949 -3.747 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -3.733 -19.552 -3.565 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -3.254 -17.953 -1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -3.137 -19.698 -1.301 1.00 0.00 H new ATOM 1901 N SER A 128 1.184 -17.961 -4.212 1.00 0.00 N ATOM 1902 CA SER A 128 1.906 -16.854 -4.828 1.00 0.00 C ATOM 1903 C SER A 128 2.812 -17.354 -5.950 1.00 0.00 C ATOM 1904 O SER A 128 2.978 -18.559 -6.138 1.00 0.00 O ATOM 1905 CB SER A 128 2.737 -16.112 -3.779 1.00 0.00 C ATOM 1906 OG SER A 128 3.018 -14.787 -4.194 1.00 0.00 O ATOM 0 H SER A 128 1.557 -18.884 -4.435 1.00 0.00 H new ATOM 0 HA SER A 128 1.174 -16.167 -5.253 1.00 0.00 H new ATOM 0 HB2 SER A 128 2.199 -16.093 -2.831 1.00 0.00 H new ATOM 0 HB3 SER A 128 3.670 -16.647 -3.605 1.00 0.00 H new ATOM 0 HG SER A 128 3.548 -14.334 -3.506 1.00 0.00 H new ATOM 1912 N SER A 129 3.395 -16.418 -6.692 1.00 0.00 N ATOM 1913 CA SER A 129 4.281 -16.762 -7.798 1.00 0.00 C ATOM 1914 C SER A 129 5.727 -16.403 -7.468 1.00 0.00 C ATOM 1915 O SER A 129 6.124 -15.241 -7.550 1.00 0.00 O ATOM 1916 CB SER A 129 3.843 -16.040 -9.074 1.00 0.00 C ATOM 1917 OG SER A 129 4.451 -16.613 -10.218 1.00 0.00 O ATOM 0 H SER A 129 3.270 -15.416 -6.547 1.00 0.00 H new ATOM 0 HA SER A 129 4.220 -17.838 -7.959 1.00 0.00 H new ATOM 0 HB2 SER A 129 2.758 -16.091 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 129 4.108 -14.985 -9.008 1.00 0.00 H new ATOM 0 HG SER A 129 4.154 -16.135 -11.020 1.00 0.00 H new ATOM 1923 N GLY A 130 6.510 -17.410 -7.093 1.00 0.00 N ATOM 1924 CA GLY A 130 7.902 -17.181 -6.756 1.00 0.00 C ATOM 1925 C GLY A 130 8.731 -16.774 -7.958 1.00 0.00 C ATOM 1926 O GLY A 130 9.157 -17.621 -8.743 1.00 0.00 O ATOM 0 H GLY A 130 6.205 -18.380 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 130 7.965 -16.403 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.321 -18.088 -6.320 1.00 0.00 H new TER 1930 GLY A 130