USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 631 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 45 TYR OH : rot 88:sc= 0.0199 USER MOD Set 1.2: A 57 GLN : amide:sc= -5.8! C(o=-5.8!,f=-6.1!) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0887 (180deg=0) USER MOD Single : A 2 SER OG : rot 44:sc= 1.19 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 CYS SG : rot 24:sc= 0.038 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.36) USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= -0.58 (180deg=-2.26!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.477 K(o=-0.48,f=-1.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 25:sc= 0.366 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.195 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 150:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -151:sc=-0.00416 (180deg=-0.74) USER MOD Single : A 34 THR OG1 : rot 11:sc= 0.871 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.837 K(o=-0.84,f=0.025) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -7.87! C(o=-7.9!,f=-9.6!) USER MOD Single : A 64 LYS NZ :NH3+ -122:sc=-0.00226 (180deg=-0.69) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0768 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.724 -54.151 -63.433 1.00 0.00 N ATOM 2 CA GLY A 1 -16.008 -53.473 -62.368 1.00 0.00 C ATOM 3 C GLY A 1 -16.837 -52.386 -61.713 1.00 0.00 C ATOM 4 O GLY A 1 -18.017 -52.224 -62.023 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.730 -55.175 -63.251 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.702 -53.801 -63.471 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.254 -53.964 -64.341 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.709 -54.201 -61.614 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.094 -53.036 -62.770 1.00 0.00 H new ATOM 8 N SER A 2 -16.219 -51.638 -60.804 1.00 0.00 N ATOM 9 CA SER A 2 -16.909 -50.564 -60.100 1.00 0.00 C ATOM 10 C SER A 2 -15.920 -49.702 -59.322 1.00 0.00 C ATOM 11 O SER A 2 -14.772 -50.091 -59.111 1.00 0.00 O ATOM 12 CB SER A 2 -17.959 -51.141 -59.149 1.00 0.00 C ATOM 13 OG SER A 2 -19.204 -51.307 -59.804 1.00 0.00 O ATOM 0 H SER A 2 -15.241 -51.756 -60.538 1.00 0.00 H new ATOM 0 HA SER A 2 -17.406 -49.938 -60.841 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.616 -52.101 -58.764 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.081 -50.479 -58.292 1.00 0.00 H new ATOM 0 HG SER A 2 -19.058 -51.701 -60.689 1.00 0.00 H new ATOM 19 N SER A 3 -16.375 -48.527 -58.898 1.00 0.00 N ATOM 20 CA SER A 3 -15.531 -47.606 -58.146 1.00 0.00 C ATOM 21 C SER A 3 -16.191 -47.217 -56.827 1.00 0.00 C ATOM 22 O SER A 3 -17.370 -47.489 -56.606 1.00 0.00 O ATOM 23 CB SER A 3 -15.242 -46.353 -58.975 1.00 0.00 C ATOM 24 OG SER A 3 -16.419 -45.587 -59.168 1.00 0.00 O ATOM 0 H SER A 3 -17.324 -48.191 -59.063 1.00 0.00 H new ATOM 0 HA SER A 3 -14.591 -48.112 -57.926 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.488 -45.747 -58.473 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.828 -46.640 -59.942 1.00 0.00 H new ATOM 0 HG SER A 3 -16.208 -44.791 -59.699 1.00 0.00 H new ATOM 30 N GLY A 4 -15.420 -46.577 -55.953 1.00 0.00 N ATOM 31 CA GLY A 4 -15.947 -46.160 -54.666 1.00 0.00 C ATOM 32 C GLY A 4 -15.519 -44.754 -54.293 1.00 0.00 C ATOM 33 O GLY A 4 -14.342 -44.505 -54.032 1.00 0.00 O ATOM 0 H GLY A 4 -14.441 -46.340 -56.113 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.036 -46.211 -54.689 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.611 -46.855 -53.897 1.00 0.00 H new ATOM 37 N SER A 5 -16.477 -43.833 -54.268 1.00 0.00 N ATOM 38 CA SER A 5 -16.193 -42.444 -53.929 1.00 0.00 C ATOM 39 C SER A 5 -15.550 -42.341 -52.549 1.00 0.00 C ATOM 40 O SER A 5 -15.710 -43.228 -51.711 1.00 0.00 O ATOM 41 CB SER A 5 -17.478 -41.614 -53.968 1.00 0.00 C ATOM 42 OG SER A 5 -18.378 -42.020 -52.952 1.00 0.00 O ATOM 0 H SER A 5 -17.457 -44.024 -54.479 1.00 0.00 H new ATOM 0 HA SER A 5 -15.493 -42.052 -54.667 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.237 -40.558 -53.844 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.954 -41.720 -54.943 1.00 0.00 H new ATOM 0 HG SER A 5 -19.190 -41.474 -52.997 1.00 0.00 H new ATOM 48 N SER A 6 -14.822 -41.253 -52.322 1.00 0.00 N ATOM 49 CA SER A 6 -14.151 -41.035 -51.046 1.00 0.00 C ATOM 50 C SER A 6 -14.899 -40.003 -50.208 1.00 0.00 C ATOM 51 O SER A 6 -15.224 -40.247 -49.046 1.00 0.00 O ATOM 52 CB SER A 6 -12.710 -40.574 -51.275 1.00 0.00 C ATOM 53 OG SER A 6 -11.895 -41.648 -51.712 1.00 0.00 O ATOM 0 H SER A 6 -14.682 -40.509 -53.005 1.00 0.00 H new ATOM 0 HA SER A 6 -14.141 -41.980 -50.503 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.694 -39.776 -52.017 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.306 -40.159 -50.351 1.00 0.00 H new ATOM 0 HG SER A 6 -10.980 -41.328 -51.853 1.00 0.00 H new ATOM 59 N GLY A 7 -15.170 -38.847 -50.806 1.00 0.00 N ATOM 60 CA GLY A 7 -15.878 -37.795 -50.102 1.00 0.00 C ATOM 61 C GLY A 7 -14.975 -37.013 -49.168 1.00 0.00 C ATOM 62 O GLY A 7 -13.958 -37.528 -48.703 1.00 0.00 O ATOM 0 H GLY A 7 -14.911 -38.621 -51.766 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.324 -37.113 -50.826 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.696 -38.232 -49.530 1.00 0.00 H new ATOM 66 N CYS A 8 -15.345 -35.767 -48.896 1.00 0.00 N ATOM 67 CA CYS A 8 -14.559 -34.911 -48.014 1.00 0.00 C ATOM 68 C CYS A 8 -15.465 -34.011 -47.180 1.00 0.00 C ATOM 69 O CYS A 8 -16.214 -33.196 -47.720 1.00 0.00 O ATOM 70 CB CYS A 8 -13.585 -34.060 -48.830 1.00 0.00 C ATOM 71 SG CYS A 8 -12.010 -34.874 -49.182 1.00 0.00 S ATOM 0 H CYS A 8 -16.184 -35.327 -49.273 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.992 -35.551 -47.338 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.059 -33.787 -49.773 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.390 -33.133 -48.291 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.166 -36.163 -49.128 1.00 0.00 H new ATOM 77 N SER A 9 -15.393 -34.165 -45.862 1.00 0.00 N ATOM 78 CA SER A 9 -16.212 -33.370 -44.954 1.00 0.00 C ATOM 79 C SER A 9 -15.347 -32.696 -43.893 1.00 0.00 C ATOM 80 O SER A 9 -14.457 -33.320 -43.315 1.00 0.00 O ATOM 81 CB SER A 9 -17.269 -34.249 -44.284 1.00 0.00 C ATOM 82 OG SER A 9 -16.667 -35.298 -43.546 1.00 0.00 O ATOM 0 H SER A 9 -14.776 -34.833 -45.399 1.00 0.00 H new ATOM 0 HA SER A 9 -16.711 -32.596 -45.537 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.885 -33.641 -43.621 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.932 -34.667 -45.041 1.00 0.00 H new ATOM 0 HG SER A 9 -17.364 -35.844 -43.126 1.00 0.00 H new ATOM 88 N GLU A 10 -15.616 -31.418 -43.643 1.00 0.00 N ATOM 89 CA GLU A 10 -14.862 -30.659 -42.652 1.00 0.00 C ATOM 90 C GLU A 10 -15.797 -29.834 -41.772 1.00 0.00 C ATOM 91 O GLU A 10 -17.010 -29.822 -41.977 1.00 0.00 O ATOM 92 CB GLU A 10 -13.850 -29.742 -43.341 1.00 0.00 C ATOM 93 CG GLU A 10 -12.602 -29.481 -42.515 1.00 0.00 C ATOM 94 CD GLU A 10 -11.399 -29.133 -43.369 1.00 0.00 C ATOM 95 OE1 GLU A 10 -10.893 -30.032 -44.074 1.00 0.00 O ATOM 96 OE2 GLU A 10 -10.962 -27.964 -43.332 1.00 0.00 O ATOM 0 H GLU A 10 -16.350 -30.887 -44.113 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.327 -31.367 -42.019 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.559 -30.187 -44.293 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.331 -28.790 -43.568 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.796 -28.666 -41.818 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.375 -30.364 -41.917 1.00 0.00 H new ATOM 103 N VAL A 11 -15.222 -29.146 -40.791 1.00 0.00 N ATOM 104 CA VAL A 11 -16.002 -28.317 -39.879 1.00 0.00 C ATOM 105 C VAL A 11 -15.095 -27.500 -38.966 1.00 0.00 C ATOM 106 O VAL A 11 -14.195 -28.040 -38.325 1.00 0.00 O ATOM 107 CB VAL A 11 -16.947 -29.172 -39.014 1.00 0.00 C ATOM 108 CG1 VAL A 11 -16.177 -30.286 -38.322 1.00 0.00 C ATOM 109 CG2 VAL A 11 -17.671 -28.301 -37.998 1.00 0.00 C ATOM 0 H VAL A 11 -14.219 -29.146 -40.607 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.596 -27.641 -40.495 1.00 0.00 H new ATOM 0 HB VAL A 11 -17.693 -29.630 -39.664 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -16.862 -30.879 -37.716 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.709 -30.925 -39.071 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.407 -29.854 -37.683 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -18.335 -28.921 -37.395 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.942 -27.814 -37.351 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.256 -27.544 -38.519 1.00 0.00 H new ATOM 119 N ASN A 12 -15.339 -26.195 -38.913 1.00 0.00 N ATOM 120 CA ASN A 12 -14.544 -25.302 -38.078 1.00 0.00 C ATOM 121 C ASN A 12 -15.236 -25.045 -36.743 1.00 0.00 C ATOM 122 O ASN A 12 -16.424 -25.324 -36.584 1.00 0.00 O ATOM 123 CB ASN A 12 -14.299 -23.976 -38.802 1.00 0.00 C ATOM 124 CG ASN A 12 -15.508 -23.519 -39.596 1.00 0.00 C ATOM 125 OD1 ASN A 12 -15.652 -23.850 -40.773 1.00 0.00 O ATOM 126 ND2 ASN A 12 -16.383 -22.755 -38.953 1.00 0.00 N ATOM 0 H ASN A 12 -16.081 -25.732 -39.438 1.00 0.00 H new ATOM 0 HA ASN A 12 -13.586 -25.784 -37.883 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.036 -23.210 -38.072 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.447 -24.083 -39.473 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -17.216 -22.417 -39.435 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.222 -22.506 -37.977 1.00 0.00 H new ATOM 133 N VAL A 13 -14.484 -24.511 -35.786 1.00 0.00 N ATOM 134 CA VAL A 13 -15.025 -24.214 -34.465 1.00 0.00 C ATOM 135 C VAL A 13 -14.864 -22.737 -34.124 1.00 0.00 C ATOM 136 O VAL A 13 -13.747 -22.241 -33.975 1.00 0.00 O ATOM 137 CB VAL A 13 -14.339 -25.059 -33.375 1.00 0.00 C ATOM 138 CG1 VAL A 13 -14.883 -24.701 -32.000 1.00 0.00 C ATOM 139 CG2 VAL A 13 -14.518 -26.542 -33.659 1.00 0.00 C ATOM 0 H VAL A 13 -13.498 -24.275 -35.901 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.086 -24.463 -34.494 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.272 -24.837 -33.386 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.387 -25.308 -31.243 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.697 -23.646 -31.798 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.956 -24.892 -31.972 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.027 -27.124 -32.879 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.581 -26.783 -33.677 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.075 -26.784 -34.625 1.00 0.00 H new ATOM 149 N VAL A 14 -15.988 -22.038 -34.002 1.00 0.00 N ATOM 150 CA VAL A 14 -15.973 -20.617 -33.677 1.00 0.00 C ATOM 151 C VAL A 14 -15.776 -20.397 -32.181 1.00 0.00 C ATOM 152 O VAL A 14 -16.371 -21.091 -31.357 1.00 0.00 O ATOM 153 CB VAL A 14 -17.277 -19.926 -34.119 1.00 0.00 C ATOM 154 CG1 VAL A 14 -17.264 -18.457 -33.723 1.00 0.00 C ATOM 155 CG2 VAL A 14 -17.480 -20.081 -35.618 1.00 0.00 C ATOM 0 H VAL A 14 -16.921 -22.433 -34.123 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.136 -20.177 -34.219 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.113 -20.407 -33.611 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.193 -17.986 -34.043 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.169 -18.373 -32.640 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.421 -17.959 -34.201 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -18.406 -19.587 -35.913 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -16.642 -19.627 -36.147 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.538 -21.140 -35.870 1.00 0.00 H new ATOM 165 N LYS A 15 -14.936 -19.426 -31.837 1.00 0.00 N ATOM 166 CA LYS A 15 -14.661 -19.112 -30.440 1.00 0.00 C ATOM 167 C LYS A 15 -14.570 -17.604 -30.229 1.00 0.00 C ATOM 168 O LYS A 15 -14.078 -16.876 -31.091 1.00 0.00 O ATOM 169 CB LYS A 15 -13.358 -19.779 -29.994 1.00 0.00 C ATOM 170 CG LYS A 15 -13.497 -21.267 -29.726 1.00 0.00 C ATOM 171 CD LYS A 15 -12.208 -21.859 -29.181 1.00 0.00 C ATOM 172 CE LYS A 15 -12.120 -21.709 -27.670 1.00 0.00 C ATOM 173 NZ LYS A 15 -11.703 -20.336 -27.272 1.00 0.00 N ATOM 0 H LYS A 15 -14.434 -18.843 -32.507 1.00 0.00 H new ATOM 0 HA LYS A 15 -15.484 -19.496 -29.838 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.600 -19.626 -30.762 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.999 -19.288 -29.090 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.305 -21.435 -29.014 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.772 -21.779 -30.648 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.150 -22.915 -29.447 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.355 -21.366 -29.647 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.089 -21.937 -27.225 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.409 -22.434 -27.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.178 -20.379 -26.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.093 -19.930 -28.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.546 -19.738 -27.152 1.00 0.00 H new ATOM 187 N GLU A 16 -15.048 -17.142 -29.078 1.00 0.00 N ATOM 188 CA GLU A 16 -15.020 -15.720 -28.755 1.00 0.00 C ATOM 189 C GLU A 16 -15.260 -15.496 -27.265 1.00 0.00 C ATOM 190 O GLU A 16 -16.266 -15.943 -26.714 1.00 0.00 O ATOM 191 CB GLU A 16 -16.072 -14.968 -29.572 1.00 0.00 C ATOM 192 CG GLU A 16 -15.698 -13.525 -29.865 1.00 0.00 C ATOM 193 CD GLU A 16 -14.613 -13.406 -30.918 1.00 0.00 C ATOM 194 OE1 GLU A 16 -13.421 -13.468 -30.550 1.00 0.00 O ATOM 195 OE2 GLU A 16 -14.955 -13.249 -32.108 1.00 0.00 O ATOM 0 H GLU A 16 -15.459 -17.731 -28.354 1.00 0.00 H new ATOM 0 HA GLU A 16 -14.032 -15.335 -29.008 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.231 -15.492 -30.515 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.020 -14.987 -29.034 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.584 -12.985 -30.199 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.361 -13.047 -28.945 1.00 0.00 H new ATOM 202 N ARG A 17 -14.330 -14.800 -26.620 1.00 0.00 N ATOM 203 CA ARG A 17 -14.439 -14.518 -25.194 1.00 0.00 C ATOM 204 C ARG A 17 -13.842 -13.153 -24.862 1.00 0.00 C ATOM 205 O ARG A 17 -12.679 -12.870 -25.149 1.00 0.00 O ATOM 206 CB ARG A 17 -13.734 -15.605 -24.381 1.00 0.00 C ATOM 207 CG ARG A 17 -14.285 -17.001 -24.624 1.00 0.00 C ATOM 208 CD ARG A 17 -15.534 -17.258 -23.795 1.00 0.00 C ATOM 209 NE ARG A 17 -15.232 -17.373 -22.371 1.00 0.00 N ATOM 210 CZ ARG A 17 -16.095 -17.832 -21.471 1.00 0.00 C ATOM 211 NH1 ARG A 17 -17.307 -18.217 -21.847 1.00 0.00 N ATOM 212 NH2 ARG A 17 -15.746 -17.906 -20.193 1.00 0.00 N ATOM 0 H ARG A 17 -13.493 -14.421 -27.062 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.497 -14.507 -24.932 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.671 -15.596 -24.623 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.822 -15.368 -23.321 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.518 -17.123 -25.682 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.524 -17.742 -24.378 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.245 -16.447 -23.950 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.015 -18.174 -24.139 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.308 -17.085 -22.050 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.578 -18.161 -22.829 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.968 -18.569 -21.155 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.815 -17.610 -19.901 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.409 -18.258 -19.503 1.00 0.00 H new ATOM 226 N PRO A 18 -14.657 -12.285 -24.245 1.00 0.00 N ATOM 227 CA PRO A 18 -14.232 -10.935 -23.861 1.00 0.00 C ATOM 228 C PRO A 18 -13.220 -10.949 -22.721 1.00 0.00 C ATOM 229 O PRO A 18 -12.991 -11.982 -22.091 1.00 0.00 O ATOM 230 CB PRO A 18 -15.534 -10.267 -23.413 1.00 0.00 C ATOM 231 CG PRO A 18 -16.410 -11.393 -22.985 1.00 0.00 C ATOM 232 CD PRO A 18 -16.056 -12.554 -23.872 1.00 0.00 C ATOM 0 HA PRO A 18 -13.731 -10.417 -24.679 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.359 -9.568 -22.595 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.988 -9.699 -24.225 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.245 -11.639 -21.936 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.463 -11.130 -23.089 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.156 -13.505 -23.348 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.703 -12.602 -24.748 1.00 0.00 H new ATOM 240 N LYS A 19 -12.616 -9.794 -22.458 1.00 0.00 N ATOM 241 CA LYS A 19 -11.630 -9.672 -21.391 1.00 0.00 C ATOM 242 C LYS A 19 -12.310 -9.454 -20.043 1.00 0.00 C ATOM 243 O LYS A 19 -13.536 -9.368 -19.961 1.00 0.00 O ATOM 244 CB LYS A 19 -10.673 -8.514 -21.684 1.00 0.00 C ATOM 245 CG LYS A 19 -9.508 -8.899 -22.580 1.00 0.00 C ATOM 246 CD LYS A 19 -8.434 -9.646 -21.808 1.00 0.00 C ATOM 247 CE LYS A 19 -7.397 -10.252 -22.741 1.00 0.00 C ATOM 248 NZ LYS A 19 -6.476 -9.220 -23.293 1.00 0.00 N ATOM 0 H LYS A 19 -12.793 -8.929 -22.970 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.064 -10.602 -21.346 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.230 -7.704 -22.154 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.284 -8.128 -20.742 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.868 -9.522 -23.399 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.079 -8.002 -23.026 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.945 -8.965 -21.112 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.894 -10.434 -21.213 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.819 -11.003 -22.203 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.901 -10.764 -23.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.785 -9.673 -23.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.024 -8.516 -23.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.976 -8.748 -22.513 1.00 0.00 H new ATOM 262 N THR A 20 -11.507 -9.366 -18.987 1.00 0.00 N ATOM 263 CA THR A 20 -12.031 -9.158 -17.644 1.00 0.00 C ATOM 264 C THR A 20 -13.278 -8.281 -17.669 1.00 0.00 C ATOM 265 O THR A 20 -13.197 -7.078 -17.918 1.00 0.00 O ATOM 266 CB THR A 20 -10.979 -8.508 -16.725 1.00 0.00 C ATOM 267 OG1 THR A 20 -9.822 -9.347 -16.636 1.00 0.00 O ATOM 268 CG2 THR A 20 -11.548 -8.272 -15.334 1.00 0.00 C ATOM 0 H THR A 20 -10.491 -9.436 -19.037 1.00 0.00 H new ATOM 0 HA THR A 20 -12.290 -10.141 -17.250 1.00 0.00 H new ATOM 0 HB THR A 20 -10.698 -7.546 -17.154 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.157 -8.926 -16.052 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.787 -7.812 -14.703 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.412 -7.610 -15.402 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.853 -9.224 -14.899 1.00 0.00 H new ATOM 276 N ASP A 21 -14.429 -8.891 -17.410 1.00 0.00 N ATOM 277 CA ASP A 21 -15.694 -8.165 -17.401 1.00 0.00 C ATOM 278 C ASP A 21 -15.966 -7.564 -16.026 1.00 0.00 C ATOM 279 O ASP A 21 -16.849 -8.022 -15.302 1.00 0.00 O ATOM 280 CB ASP A 21 -16.842 -9.093 -17.802 1.00 0.00 C ATOM 281 CG ASP A 21 -16.641 -9.701 -19.176 1.00 0.00 C ATOM 282 OD1 ASP A 21 -16.962 -9.026 -20.176 1.00 0.00 O ATOM 283 OD2 ASP A 21 -16.164 -10.853 -19.251 1.00 0.00 O ATOM 0 H ASP A 21 -14.513 -9.886 -17.203 1.00 0.00 H new ATOM 0 HA ASP A 21 -15.624 -7.353 -18.125 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.935 -9.891 -17.065 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -17.778 -8.535 -17.788 1.00 0.00 H new ATOM 288 N GLU A 22 -15.200 -6.536 -15.672 1.00 0.00 N ATOM 289 CA GLU A 22 -15.358 -5.874 -14.383 1.00 0.00 C ATOM 290 C GLU A 22 -15.010 -4.392 -14.486 1.00 0.00 C ATOM 291 O GLU A 22 -14.571 -3.917 -15.534 1.00 0.00 O ATOM 292 CB GLU A 22 -14.474 -6.545 -13.329 1.00 0.00 C ATOM 293 CG GLU A 22 -15.161 -7.685 -12.595 1.00 0.00 C ATOM 294 CD GLU A 22 -14.177 -8.610 -11.905 1.00 0.00 C ATOM 295 OE1 GLU A 22 -13.157 -8.965 -12.532 1.00 0.00 O ATOM 296 OE2 GLU A 22 -14.428 -8.980 -10.739 1.00 0.00 O ATOM 0 H GLU A 22 -14.464 -6.144 -16.260 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.402 -5.964 -14.082 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.573 -6.925 -13.811 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.156 -5.796 -12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.848 -7.274 -11.855 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.760 -8.259 -13.302 1.00 0.00 H new ATOM 303 N HIS A 23 -15.210 -3.666 -13.390 1.00 0.00 N ATOM 304 CA HIS A 23 -14.918 -2.237 -13.356 1.00 0.00 C ATOM 305 C HIS A 23 -13.441 -1.978 -13.641 1.00 0.00 C ATOM 306 O HIS A 23 -12.603 -2.866 -13.488 1.00 0.00 O ATOM 307 CB HIS A 23 -15.298 -1.650 -11.997 1.00 0.00 C ATOM 308 CG HIS A 23 -14.644 -2.342 -10.841 1.00 0.00 C ATOM 309 ND1 HIS A 23 -13.284 -2.312 -10.616 1.00 0.00 N ATOM 310 CD2 HIS A 23 -15.172 -3.086 -9.841 1.00 0.00 C ATOM 311 CE1 HIS A 23 -13.003 -3.008 -9.529 1.00 0.00 C ATOM 312 NE2 HIS A 23 -14.132 -3.488 -9.039 1.00 0.00 N ATOM 0 H HIS A 23 -15.573 -4.043 -12.515 1.00 0.00 H new ATOM 0 HA HIS A 23 -15.510 -1.751 -14.131 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -15.027 -0.594 -11.978 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -16.380 -1.704 -11.877 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -16.217 -3.320 -9.700 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -12.018 -3.159 -9.112 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -14.217 -4.064 -8.201 1.00 0.00 H new ATOM 320 N LYS A 24 -13.130 -0.755 -14.057 1.00 0.00 N ATOM 321 CA LYS A 24 -11.755 -0.377 -14.363 1.00 0.00 C ATOM 322 C LYS A 24 -10.872 -0.485 -13.124 1.00 0.00 C ATOM 323 O LYS A 24 -11.192 0.068 -12.071 1.00 0.00 O ATOM 324 CB LYS A 24 -11.707 1.050 -14.913 1.00 0.00 C ATOM 325 CG LYS A 24 -12.040 1.144 -16.392 1.00 0.00 C ATOM 326 CD LYS A 24 -11.743 2.528 -16.944 1.00 0.00 C ATOM 327 CE LYS A 24 -12.873 3.501 -16.646 1.00 0.00 C ATOM 328 NZ LYS A 24 -13.973 3.396 -17.644 1.00 0.00 N ATOM 0 H LYS A 24 -13.812 -0.008 -14.190 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.376 -1.065 -15.119 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.406 1.670 -14.352 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.711 1.461 -14.747 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.465 0.400 -16.943 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.093 0.909 -16.544 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.815 2.902 -16.511 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.589 2.466 -18.021 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.267 3.305 -15.649 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.484 4.519 -16.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.724 4.075 -17.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.603 3.608 -18.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.362 2.432 -17.632 1.00 0.00 H new ATOM 342 N SER A 25 -9.760 -1.201 -13.256 1.00 0.00 N ATOM 343 CA SER A 25 -8.832 -1.383 -12.146 1.00 0.00 C ATOM 344 C SER A 25 -7.393 -1.152 -12.597 1.00 0.00 C ATOM 345 O SER A 25 -6.931 -1.750 -13.569 1.00 0.00 O ATOM 346 CB SER A 25 -8.975 -2.789 -11.560 1.00 0.00 C ATOM 347 OG SER A 25 -8.623 -3.777 -12.513 1.00 0.00 O ATOM 0 H SER A 25 -9.480 -1.664 -14.120 1.00 0.00 H new ATOM 0 HA SER A 25 -9.075 -0.650 -11.377 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.340 -2.886 -10.680 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.002 -2.946 -11.231 1.00 0.00 H new ATOM 0 HG SER A 25 -8.004 -3.393 -13.169 1.00 0.00 H new ATOM 353 N TYR A 26 -6.690 -0.279 -11.885 1.00 0.00 N ATOM 354 CA TYR A 26 -5.304 0.035 -12.212 1.00 0.00 C ATOM 355 C TYR A 26 -4.358 -0.484 -11.133 1.00 0.00 C ATOM 356 O TYR A 26 -4.462 -0.106 -9.966 1.00 0.00 O ATOM 357 CB TYR A 26 -5.126 1.545 -12.377 1.00 0.00 C ATOM 358 CG TYR A 26 -6.049 2.154 -13.408 1.00 0.00 C ATOM 359 CD1 TYR A 26 -7.333 2.561 -13.066 1.00 0.00 C ATOM 360 CD2 TYR A 26 -5.638 2.322 -14.725 1.00 0.00 C ATOM 361 CE1 TYR A 26 -8.180 3.117 -14.005 1.00 0.00 C ATOM 362 CE2 TYR A 26 -6.478 2.879 -15.670 1.00 0.00 C ATOM 363 CZ TYR A 26 -7.748 3.275 -15.305 1.00 0.00 C ATOM 364 OH TYR A 26 -8.588 3.828 -16.244 1.00 0.00 O ATOM 0 H TYR A 26 -7.057 0.224 -11.077 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.059 -0.458 -13.153 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.298 2.030 -11.416 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.094 1.752 -12.658 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.675 2.441 -12.049 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.645 2.012 -15.015 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.175 3.426 -13.722 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.142 3.004 -16.689 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.130 3.869 -17.109 1.00 0.00 H new ATOM 374 N SER A 27 -3.436 -1.354 -11.533 1.00 0.00 N ATOM 375 CA SER A 27 -2.472 -1.929 -10.602 1.00 0.00 C ATOM 376 C SER A 27 -1.403 -0.908 -10.227 1.00 0.00 C ATOM 377 O SER A 27 -0.863 -0.212 -11.088 1.00 0.00 O ATOM 378 CB SER A 27 -1.818 -3.169 -11.213 1.00 0.00 C ATOM 379 OG SER A 27 -2.739 -4.242 -11.299 1.00 0.00 O ATOM 0 H SER A 27 -3.336 -1.676 -12.496 1.00 0.00 H new ATOM 0 HA SER A 27 -3.006 -2.218 -9.697 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.438 -2.931 -12.207 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.962 -3.468 -10.608 1.00 0.00 H new ATOM 0 HG SER A 27 -2.297 -5.022 -11.694 1.00 0.00 H new ATOM 385 N CYS A 28 -1.101 -0.823 -8.936 1.00 0.00 N ATOM 386 CA CYS A 28 -0.096 0.113 -8.444 1.00 0.00 C ATOM 387 C CYS A 28 1.285 -0.234 -8.993 1.00 0.00 C ATOM 388 O CYS A 28 1.701 -1.392 -8.968 1.00 0.00 O ATOM 389 CB CYS A 28 -0.066 0.104 -6.915 1.00 0.00 C ATOM 390 SG CYS A 28 0.981 1.403 -6.184 1.00 0.00 S ATOM 0 H CYS A 28 -1.538 -1.391 -8.211 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.365 1.111 -8.789 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.084 0.220 -6.542 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.290 -0.869 -6.575 1.00 0.00 H new ATOM 395 N SER A 29 1.989 0.778 -9.489 1.00 0.00 N ATOM 396 CA SER A 29 3.322 0.580 -10.047 1.00 0.00 C ATOM 397 C SER A 29 4.395 0.827 -8.992 1.00 0.00 C ATOM 398 O SER A 29 5.471 1.344 -9.293 1.00 0.00 O ATOM 399 CB SER A 29 3.541 1.512 -11.241 1.00 0.00 C ATOM 400 OG SER A 29 4.416 0.927 -12.190 1.00 0.00 O ATOM 0 H SER A 29 1.659 1.743 -9.516 1.00 0.00 H new ATOM 0 HA SER A 29 3.399 -0.454 -10.383 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.584 1.735 -11.713 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.955 2.460 -10.896 1.00 0.00 H new ATOM 0 HG SER A 29 4.188 1.249 -13.087 1.00 0.00 H new ATOM 406 N PHE A 30 4.095 0.453 -7.752 1.00 0.00 N ATOM 407 CA PHE A 30 5.032 0.635 -6.650 1.00 0.00 C ATOM 408 C PHE A 30 5.675 -0.693 -6.259 1.00 0.00 C ATOM 409 O PHE A 30 5.085 -1.759 -6.439 1.00 0.00 O ATOM 410 CB PHE A 30 4.320 1.245 -5.442 1.00 0.00 C ATOM 411 CG PHE A 30 5.077 1.083 -4.155 1.00 0.00 C ATOM 412 CD1 PHE A 30 6.077 1.977 -3.806 1.00 0.00 C ATOM 413 CD2 PHE A 30 4.789 0.036 -3.293 1.00 0.00 C ATOM 414 CE1 PHE A 30 6.775 1.831 -2.623 1.00 0.00 C ATOM 415 CE2 PHE A 30 5.484 -0.114 -2.108 1.00 0.00 C ATOM 416 CZ PHE A 30 6.479 0.783 -1.773 1.00 0.00 C ATOM 0 H PHE A 30 3.210 0.022 -7.486 1.00 0.00 H new ATOM 0 HA PHE A 30 5.816 1.315 -6.981 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.155 2.307 -5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.338 0.783 -5.337 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.313 2.798 -4.467 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.013 -0.670 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.551 2.535 -2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.249 -0.933 -1.444 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.025 0.665 -0.848 1.00 0.00 H new ATOM 426 N LYS A 31 6.888 -0.621 -5.724 1.00 0.00 N ATOM 427 CA LYS A 31 7.613 -1.815 -5.305 1.00 0.00 C ATOM 428 C LYS A 31 6.980 -2.427 -4.060 1.00 0.00 C ATOM 429 O LYS A 31 7.207 -1.962 -2.944 1.00 0.00 O ATOM 430 CB LYS A 31 9.080 -1.477 -5.032 1.00 0.00 C ATOM 431 CG LYS A 31 9.879 -2.642 -4.472 1.00 0.00 C ATOM 432 CD LYS A 31 11.360 -2.500 -4.779 1.00 0.00 C ATOM 433 CE LYS A 31 12.164 -3.648 -4.187 1.00 0.00 C ATOM 434 NZ LYS A 31 13.376 -3.952 -4.998 1.00 0.00 N ATOM 0 H LYS A 31 7.391 0.253 -5.570 1.00 0.00 H new ATOM 0 HA LYS A 31 7.560 -2.544 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.545 -1.140 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.128 -0.644 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.734 -2.699 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.507 -3.576 -4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.508 -2.469 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.726 -1.554 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.462 -3.396 -3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.536 -4.537 -4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.616 -4.959 -4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.188 -3.737 -5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.172 -3.372 -4.663 1.00 0.00 H new ATOM 448 N GLY A 32 6.186 -3.475 -4.258 1.00 0.00 N ATOM 449 CA GLY A 32 5.534 -4.134 -3.142 1.00 0.00 C ATOM 450 C GLY A 32 4.089 -3.708 -2.980 1.00 0.00 C ATOM 451 O GLY A 32 3.620 -3.485 -1.864 1.00 0.00 O ATOM 0 H GLY A 32 5.983 -3.879 -5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.577 -5.214 -3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.080 -3.913 -2.225 1.00 0.00 H new ATOM 455 N CYS A 33 3.379 -3.593 -4.098 1.00 0.00 N ATOM 456 CA CYS A 33 1.979 -3.188 -4.077 1.00 0.00 C ATOM 457 C CYS A 33 1.276 -3.594 -5.369 1.00 0.00 C ATOM 458 O CYS A 33 1.750 -3.300 -6.467 1.00 0.00 O ATOM 459 CB CYS A 33 1.866 -1.675 -3.876 1.00 0.00 C ATOM 460 SG CYS A 33 0.159 -1.043 -3.933 1.00 0.00 S ATOM 0 H CYS A 33 3.751 -3.775 -5.030 1.00 0.00 H new ATOM 0 HA CYS A 33 1.493 -3.696 -3.244 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.307 -1.413 -2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.454 -1.172 -4.644 1.00 0.00 H new ATOM 465 N THR A 34 0.141 -4.273 -5.230 1.00 0.00 N ATOM 466 CA THR A 34 -0.628 -4.720 -6.385 1.00 0.00 C ATOM 467 C THR A 34 -2.064 -4.215 -6.318 1.00 0.00 C ATOM 468 O THR A 34 -2.823 -4.346 -7.279 1.00 0.00 O ATOM 469 CB THR A 34 -0.640 -6.257 -6.489 1.00 0.00 C ATOM 470 OG1 THR A 34 -1.705 -6.681 -7.349 1.00 0.00 O ATOM 471 CG2 THR A 34 -0.807 -6.892 -5.117 1.00 0.00 C ATOM 0 H THR A 34 -0.266 -4.525 -4.329 1.00 0.00 H new ATOM 0 HA THR A 34 -0.142 -4.307 -7.269 1.00 0.00 H new ATOM 0 HB THR A 34 0.314 -6.578 -6.906 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.079 -5.904 -7.814 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.812 -7.977 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.020 -6.591 -4.474 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.748 -6.563 -4.676 1.00 0.00 H new ATOM 479 N ASP A 35 -2.431 -3.637 -5.180 1.00 0.00 N ATOM 480 CA ASP A 35 -3.778 -3.111 -4.989 1.00 0.00 C ATOM 481 C ASP A 35 -4.201 -2.257 -6.181 1.00 0.00 C ATOM 482 O ASP A 35 -3.364 -1.665 -6.862 1.00 0.00 O ATOM 483 CB ASP A 35 -3.848 -2.284 -3.704 1.00 0.00 C ATOM 484 CG ASP A 35 -4.210 -3.124 -2.495 1.00 0.00 C ATOM 485 OD1 ASP A 35 -5.375 -3.564 -2.405 1.00 0.00 O ATOM 486 OD2 ASP A 35 -3.327 -3.342 -1.639 1.00 0.00 O ATOM 0 H ASP A 35 -1.815 -3.521 -4.375 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.463 -3.955 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.886 -1.802 -3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.585 -1.490 -3.826 1.00 0.00 H new ATOM 491 N VAL A 36 -5.506 -2.200 -6.427 1.00 0.00 N ATOM 492 CA VAL A 36 -6.041 -1.420 -7.536 1.00 0.00 C ATOM 493 C VAL A 36 -7.095 -0.429 -7.054 1.00 0.00 C ATOM 494 O VAL A 36 -7.512 -0.467 -5.897 1.00 0.00 O ATOM 495 CB VAL A 36 -6.662 -2.329 -8.614 1.00 0.00 C ATOM 496 CG1 VAL A 36 -5.577 -3.092 -9.358 1.00 0.00 C ATOM 497 CG2 VAL A 36 -7.666 -3.285 -7.990 1.00 0.00 C ATOM 0 H VAL A 36 -6.212 -2.685 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.204 -0.873 -7.970 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.190 -1.703 -9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.034 -3.729 -10.115 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.900 -2.386 -9.838 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.018 -3.709 -8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.095 -3.919 -8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.164 -3.907 -7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.460 -2.715 -7.508 1.00 0.00 H new ATOM 507 N GLU A 37 -7.522 0.455 -7.949 1.00 0.00 N ATOM 508 CA GLU A 37 -8.528 1.456 -7.614 1.00 0.00 C ATOM 509 C GLU A 37 -9.407 1.771 -8.821 1.00 0.00 C ATOM 510 O GLU A 37 -9.002 1.571 -9.967 1.00 0.00 O ATOM 511 CB GLU A 37 -7.858 2.736 -7.110 1.00 0.00 C ATOM 512 CG GLU A 37 -7.218 2.589 -5.740 1.00 0.00 C ATOM 513 CD GLU A 37 -8.221 2.220 -4.664 1.00 0.00 C ATOM 514 OE1 GLU A 37 -9.316 2.821 -4.644 1.00 0.00 O ATOM 515 OE2 GLU A 37 -7.911 1.332 -3.843 1.00 0.00 O ATOM 0 H GLU A 37 -7.187 0.499 -8.912 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.159 1.049 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.096 3.044 -7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.600 3.534 -7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.442 1.825 -5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.728 3.525 -5.470 1.00 0.00 H new ATOM 522 N LEU A 38 -10.612 2.262 -8.556 1.00 0.00 N ATOM 523 CA LEU A 38 -11.550 2.604 -9.619 1.00 0.00 C ATOM 524 C LEU A 38 -10.910 3.557 -10.624 1.00 0.00 C ATOM 525 O LEU A 38 -11.067 3.396 -11.835 1.00 0.00 O ATOM 526 CB LEU A 38 -12.811 3.239 -9.030 1.00 0.00 C ATOM 527 CG LEU A 38 -13.511 2.443 -7.928 1.00 0.00 C ATOM 528 CD1 LEU A 38 -14.208 3.379 -6.954 1.00 0.00 C ATOM 529 CD2 LEU A 38 -14.504 1.459 -8.530 1.00 0.00 C ATOM 0 H LEU A 38 -10.963 2.432 -7.614 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.822 1.685 -10.138 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.548 4.219 -8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.522 3.404 -9.839 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.757 1.878 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.701 2.794 -6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.473 4.043 -6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.951 3.972 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.993 0.901 -7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.254 2.004 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.977 0.766 -9.187 1.00 0.00 H new ATOM 541 N VAL A 39 -10.186 4.548 -10.115 1.00 0.00 N ATOM 542 CA VAL A 39 -9.519 5.525 -10.967 1.00 0.00 C ATOM 543 C VAL A 39 -8.034 5.210 -11.105 1.00 0.00 C ATOM 544 O VAL A 39 -7.532 4.261 -10.504 1.00 0.00 O ATOM 545 CB VAL A 39 -9.681 6.954 -10.416 1.00 0.00 C ATOM 546 CG1 VAL A 39 -11.149 7.350 -10.381 1.00 0.00 C ATOM 547 CG2 VAL A 39 -9.057 7.066 -9.034 1.00 0.00 C ATOM 0 H VAL A 39 -10.046 4.696 -9.115 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.993 5.466 -11.947 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.160 7.642 -11.081 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.243 8.363 -9.989 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.560 7.312 -11.390 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.697 6.660 -9.739 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.181 8.082 -8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.547 6.368 -8.356 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.995 6.828 -9.094 1.00 0.00 H new ATOM 557 N ALA A 40 -7.336 6.014 -11.901 1.00 0.00 N ATOM 558 CA ALA A 40 -5.907 5.823 -12.116 1.00 0.00 C ATOM 559 C ALA A 40 -5.119 7.062 -11.702 1.00 0.00 C ATOM 560 O ALA A 40 -5.230 8.117 -12.325 1.00 0.00 O ATOM 561 CB ALA A 40 -5.633 5.484 -13.574 1.00 0.00 C ATOM 0 H ALA A 40 -7.737 6.803 -12.407 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.579 4.991 -11.493 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.562 5.344 -13.720 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.158 4.566 -13.839 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.982 6.298 -14.209 1.00 0.00 H new ATOM 567 N VAL A 41 -4.323 6.925 -10.646 1.00 0.00 N ATOM 568 CA VAL A 41 -3.516 8.034 -10.149 1.00 0.00 C ATOM 569 C VAL A 41 -2.146 8.058 -10.816 1.00 0.00 C ATOM 570 O VAL A 41 -1.204 7.420 -10.346 1.00 0.00 O ATOM 571 CB VAL A 41 -3.330 7.952 -8.622 1.00 0.00 C ATOM 572 CG1 VAL A 41 -2.462 9.099 -8.127 1.00 0.00 C ATOM 573 CG2 VAL A 41 -4.680 7.953 -7.920 1.00 0.00 C ATOM 0 H VAL A 41 -4.220 6.058 -10.119 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.052 8.951 -10.394 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.823 7.016 -8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.342 9.024 -7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.484 9.048 -8.605 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.937 10.048 -8.374 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.530 7.895 -6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.215 8.871 -8.162 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.263 7.094 -8.252 1.00 0.00 H new ATOM 583 N ILE A 42 -2.042 8.799 -11.914 1.00 0.00 N ATOM 584 CA ILE A 42 -0.786 8.908 -12.645 1.00 0.00 C ATOM 585 C ILE A 42 0.093 10.012 -12.067 1.00 0.00 C ATOM 586 O ILE A 42 -0.404 11.046 -11.619 1.00 0.00 O ATOM 587 CB ILE A 42 -1.027 9.190 -14.140 1.00 0.00 C ATOM 588 CG1 ILE A 42 -1.728 7.999 -14.799 1.00 0.00 C ATOM 589 CG2 ILE A 42 0.288 9.491 -14.842 1.00 0.00 C ATOM 590 CD1 ILE A 42 -0.941 6.711 -14.710 1.00 0.00 C ATOM 0 H ILE A 42 -2.812 9.333 -12.317 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.277 7.950 -12.541 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.672 10.064 -14.230 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.701 7.854 -14.329 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.912 8.231 -15.848 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.100 9.688 -15.897 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.752 10.366 -14.386 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.956 8.635 -14.746 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.497 5.910 -15.197 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.021 6.838 -15.206 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.779 6.455 -13.663 1.00 0.00 H new ATOM 602 N CYS A 43 1.402 9.787 -12.082 1.00 0.00 N ATOM 603 CA CYS A 43 2.352 10.762 -11.560 1.00 0.00 C ATOM 604 C CYS A 43 2.920 11.623 -12.685 1.00 0.00 C ATOM 605 O CYS A 43 3.444 11.123 -13.680 1.00 0.00 O ATOM 606 CB CYS A 43 3.489 10.054 -10.822 1.00 0.00 C ATOM 607 SG CYS A 43 4.728 11.181 -10.106 1.00 0.00 S ATOM 0 H CYS A 43 1.830 8.937 -12.450 1.00 0.00 H new ATOM 0 HA CYS A 43 1.823 11.410 -10.861 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.065 9.444 -10.025 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.988 9.374 -11.513 1.00 0.00 H new ATOM 612 N PRO A 44 2.814 12.951 -12.524 1.00 0.00 N ATOM 613 CA PRO A 44 3.312 13.910 -13.515 1.00 0.00 C ATOM 614 C PRO A 44 4.835 13.941 -13.578 1.00 0.00 C ATOM 615 O PRO A 44 5.420 14.762 -14.284 1.00 0.00 O ATOM 616 CB PRO A 44 2.770 15.251 -13.013 1.00 0.00 C ATOM 617 CG PRO A 44 2.584 15.060 -11.548 1.00 0.00 C ATOM 618 CD PRO A 44 2.201 13.618 -11.364 1.00 0.00 C ATOM 0 HA PRO A 44 2.992 13.656 -14.525 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.467 16.063 -13.221 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.829 15.506 -13.502 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.500 15.293 -11.005 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.808 15.722 -11.164 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.581 13.218 -10.424 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.119 13.488 -11.352 1.00 0.00 H new ATOM 626 N TYR A 45 5.471 13.041 -12.837 1.00 0.00 N ATOM 627 CA TYR A 45 6.927 12.966 -12.807 1.00 0.00 C ATOM 628 C TYR A 45 7.423 11.708 -13.513 1.00 0.00 C ATOM 629 O TYR A 45 8.095 11.783 -14.542 1.00 0.00 O ATOM 630 CB TYR A 45 7.430 12.985 -11.363 1.00 0.00 C ATOM 631 CG TYR A 45 7.050 14.238 -10.606 1.00 0.00 C ATOM 632 CD1 TYR A 45 5.733 14.471 -10.227 1.00 0.00 C ATOM 633 CD2 TYR A 45 8.007 15.187 -10.268 1.00 0.00 C ATOM 634 CE1 TYR A 45 5.381 15.614 -9.536 1.00 0.00 C ATOM 635 CE2 TYR A 45 7.664 16.332 -9.575 1.00 0.00 C ATOM 636 CZ TYR A 45 6.350 16.541 -9.212 1.00 0.00 C ATOM 637 OH TYR A 45 6.003 17.680 -8.523 1.00 0.00 O ATOM 0 H TYR A 45 5.001 12.353 -12.249 1.00 0.00 H new ATOM 0 HA TYR A 45 7.321 13.835 -13.334 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.031 12.118 -10.837 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.516 12.886 -11.364 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.972 13.746 -10.477 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.037 15.027 -10.552 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.353 15.781 -9.251 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.420 17.059 -9.319 1.00 0.00 H new ATOM 0 HH TYR A 45 6.033 17.502 -7.560 1.00 0.00 H new ATOM 647 N CYS A 46 7.085 10.551 -12.953 1.00 0.00 N ATOM 648 CA CYS A 46 7.494 9.275 -13.527 1.00 0.00 C ATOM 649 C CYS A 46 6.476 8.789 -14.555 1.00 0.00 C ATOM 650 O CYS A 46 6.749 7.871 -15.327 1.00 0.00 O ATOM 651 CB CYS A 46 7.662 8.227 -12.425 1.00 0.00 C ATOM 652 SG CYS A 46 6.258 8.134 -11.267 1.00 0.00 S ATOM 0 H CYS A 46 6.529 10.471 -12.102 1.00 0.00 H new ATOM 0 HA CYS A 46 8.450 9.421 -14.030 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.804 7.250 -12.886 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.569 8.449 -11.863 1.00 0.00 H new ATOM 657 N GLU A 47 5.302 9.414 -14.557 1.00 0.00 N ATOM 658 CA GLU A 47 4.244 9.045 -15.490 1.00 0.00 C ATOM 659 C GLU A 47 3.791 7.606 -15.258 1.00 0.00 C ATOM 660 O GLU A 47 3.661 6.824 -16.200 1.00 0.00 O ATOM 661 CB GLU A 47 4.723 9.213 -16.933 1.00 0.00 C ATOM 662 CG GLU A 47 4.650 10.646 -17.435 1.00 0.00 C ATOM 663 CD GLU A 47 5.166 10.794 -18.854 1.00 0.00 C ATOM 664 OE1 GLU A 47 5.970 9.941 -19.285 1.00 0.00 O ATOM 665 OE2 GLU A 47 4.765 11.762 -19.532 1.00 0.00 O ATOM 0 H GLU A 47 5.060 10.177 -13.924 1.00 0.00 H new ATOM 0 HA GLU A 47 3.396 9.708 -15.317 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.752 8.862 -17.009 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.121 8.578 -17.583 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.617 10.991 -17.390 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.229 11.289 -16.773 1.00 0.00 H new ATOM 672 N LYS A 48 3.552 7.263 -13.996 1.00 0.00 N ATOM 673 CA LYS A 48 3.114 5.920 -13.638 1.00 0.00 C ATOM 674 C LYS A 48 1.863 5.970 -12.766 1.00 0.00 C ATOM 675 O LYS A 48 1.619 6.956 -12.071 1.00 0.00 O ATOM 676 CB LYS A 48 4.231 5.176 -12.902 1.00 0.00 C ATOM 677 CG LYS A 48 5.465 4.935 -13.754 1.00 0.00 C ATOM 678 CD LYS A 48 6.273 3.754 -13.245 1.00 0.00 C ATOM 679 CE LYS A 48 7.675 3.742 -13.833 1.00 0.00 C ATOM 680 NZ LYS A 48 8.602 2.885 -13.042 1.00 0.00 N ATOM 0 H LYS A 48 3.655 7.898 -13.204 1.00 0.00 H new ATOM 0 HA LYS A 48 2.874 5.386 -14.558 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.516 5.747 -12.018 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.848 4.217 -12.552 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.166 4.754 -14.786 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.088 5.830 -13.755 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.334 3.795 -12.157 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.762 2.826 -13.500 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.635 3.381 -14.861 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.063 4.760 -13.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.547 2.904 -13.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.661 3.244 -12.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.246 1.908 -13.030 1.00 0.00 H new ATOM 694 N ASN A 49 1.074 4.901 -12.808 1.00 0.00 N ATOM 695 CA ASN A 49 -0.151 4.824 -12.021 1.00 0.00 C ATOM 696 C ASN A 49 0.111 4.166 -10.670 1.00 0.00 C ATOM 697 O ASN A 49 0.743 3.113 -10.592 1.00 0.00 O ATOM 698 CB ASN A 49 -1.223 4.042 -12.783 1.00 0.00 C ATOM 699 CG ASN A 49 -1.244 2.573 -12.405 1.00 0.00 C ATOM 700 OD1 ASN A 49 -0.634 1.739 -13.075 1.00 0.00 O ATOM 701 ND2 ASN A 49 -1.949 2.250 -11.327 1.00 0.00 N ATOM 0 H ASN A 49 1.261 4.077 -13.379 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.506 5.840 -11.847 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.201 4.480 -12.582 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.045 4.136 -13.854 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.001 1.277 -11.024 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.439 2.974 -10.802 1.00 0.00 H new ATOM 708 N PHE A 50 -0.380 4.795 -9.607 1.00 0.00 N ATOM 709 CA PHE A 50 -0.199 4.272 -8.258 1.00 0.00 C ATOM 710 C PHE A 50 -1.506 4.327 -7.473 1.00 0.00 C ATOM 711 O PHE A 50 -2.484 4.930 -7.915 1.00 0.00 O ATOM 712 CB PHE A 50 0.885 5.062 -7.522 1.00 0.00 C ATOM 713 CG PHE A 50 2.166 5.186 -8.295 1.00 0.00 C ATOM 714 CD1 PHE A 50 2.303 6.145 -9.286 1.00 0.00 C ATOM 715 CD2 PHE A 50 3.234 4.342 -8.033 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.481 6.262 -10.000 1.00 0.00 C ATOM 717 CE2 PHE A 50 4.414 4.454 -8.742 1.00 0.00 C ATOM 718 CZ PHE A 50 4.538 5.414 -9.728 1.00 0.00 C ATOM 0 H PHE A 50 -0.906 5.668 -9.654 1.00 0.00 H new ATOM 0 HA PHE A 50 0.112 3.231 -8.339 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.507 6.060 -7.298 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.091 4.578 -6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.479 6.809 -9.503 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.142 3.588 -7.265 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.575 7.015 -10.769 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.239 3.792 -8.526 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.459 5.502 -10.285 1.00 0.00 H new ATOM 728 N CYS A 51 -1.516 3.693 -6.305 1.00 0.00 N ATOM 729 CA CYS A 51 -2.702 3.668 -5.457 1.00 0.00 C ATOM 730 C CYS A 51 -2.744 4.891 -4.546 1.00 0.00 C ATOM 731 O CYS A 51 -1.707 5.385 -4.102 1.00 0.00 O ATOM 732 CB CYS A 51 -2.726 2.390 -4.617 1.00 0.00 C ATOM 733 SG CYS A 51 -1.513 2.371 -3.258 1.00 0.00 S ATOM 0 H CYS A 51 -0.715 3.189 -5.924 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.581 3.687 -6.102 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.725 2.261 -4.200 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.539 1.536 -5.268 1.00 0.00 H new ATOM 738 N LEU A 52 -3.951 5.375 -4.270 1.00 0.00 N ATOM 739 CA LEU A 52 -4.130 6.540 -3.410 1.00 0.00 C ATOM 740 C LEU A 52 -3.104 6.546 -2.281 1.00 0.00 C ATOM 741 O LEU A 52 -2.535 7.587 -1.952 1.00 0.00 O ATOM 742 CB LEU A 52 -5.545 6.557 -2.830 1.00 0.00 C ATOM 743 CG LEU A 52 -6.624 7.187 -3.711 1.00 0.00 C ATOM 744 CD1 LEU A 52 -6.363 8.674 -3.893 1.00 0.00 C ATOM 745 CD2 LEU A 52 -6.689 6.485 -5.059 1.00 0.00 C ATOM 0 H LEU A 52 -4.820 4.979 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.982 7.434 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.838 5.531 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.521 7.093 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.587 7.067 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.141 9.106 -4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.369 9.166 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.392 8.818 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.462 6.947 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.726 6.573 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.925 5.431 -4.910 1.00 0.00 H new ATOM 757 N ARG A 53 -2.872 5.377 -1.693 1.00 0.00 N ATOM 758 CA ARG A 53 -1.914 5.249 -0.601 1.00 0.00 C ATOM 759 C ARG A 53 -0.514 5.647 -1.057 1.00 0.00 C ATOM 760 O ARG A 53 0.211 6.336 -0.339 1.00 0.00 O ATOM 761 CB ARG A 53 -1.901 3.813 -0.073 1.00 0.00 C ATOM 762 CG ARG A 53 -2.882 3.573 1.063 1.00 0.00 C ATOM 763 CD ARG A 53 -2.356 4.126 2.379 1.00 0.00 C ATOM 764 NE ARG A 53 -2.939 3.444 3.531 1.00 0.00 N ATOM 765 CZ ARG A 53 -2.305 3.281 4.687 1.00 0.00 C ATOM 766 NH1 ARG A 53 -1.074 3.748 4.843 1.00 0.00 N ATOM 767 NH2 ARG A 53 -2.903 2.650 5.689 1.00 0.00 N ATOM 0 H ARG A 53 -3.334 4.506 -1.954 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.221 5.921 0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.133 3.132 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.895 3.570 0.269 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.837 4.042 0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.068 2.504 1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.271 4.023 2.408 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.577 5.192 2.439 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.885 3.072 3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.612 4.234 4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.589 3.622 5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.850 2.290 5.572 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.416 2.525 6.576 1.00 0.00 H new ATOM 781 N HIS A 54 -0.139 5.209 -2.255 1.00 0.00 N ATOM 782 CA HIS A 54 1.174 5.520 -2.806 1.00 0.00 C ATOM 783 C HIS A 54 1.054 6.471 -3.993 1.00 0.00 C ATOM 784 O HIS A 54 1.758 6.324 -4.992 1.00 0.00 O ATOM 785 CB HIS A 54 1.887 4.237 -3.236 1.00 0.00 C ATOM 786 CG HIS A 54 2.029 3.233 -2.134 1.00 0.00 C ATOM 787 ND1 HIS A 54 2.038 1.871 -2.353 1.00 0.00 N ATOM 788 CD2 HIS A 54 2.168 3.398 -0.798 1.00 0.00 C ATOM 789 CE1 HIS A 54 2.176 1.243 -1.200 1.00 0.00 C ATOM 790 NE2 HIS A 54 2.258 2.147 -0.240 1.00 0.00 N ATOM 0 H HIS A 54 -0.727 4.638 -2.862 1.00 0.00 H new ATOM 0 HA HIS A 54 1.760 6.010 -2.028 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.336 3.784 -4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.877 4.491 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.202 4.339 -0.269 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.215 0.172 -1.065 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.370 1.948 0.754 1.00 0.00 H new ATOM 798 N ARG A 55 0.157 7.444 -3.877 1.00 0.00 N ATOM 799 CA ARG A 55 -0.057 8.418 -4.941 1.00 0.00 C ATOM 800 C ARG A 55 1.041 9.477 -4.937 1.00 0.00 C ATOM 801 O ARG A 55 1.542 9.871 -5.991 1.00 0.00 O ATOM 802 CB ARG A 55 -1.425 9.085 -4.784 1.00 0.00 C ATOM 803 CG ARG A 55 -1.486 10.088 -3.644 1.00 0.00 C ATOM 804 CD ARG A 55 -2.916 10.518 -3.356 1.00 0.00 C ATOM 805 NE ARG A 55 -2.978 11.855 -2.772 1.00 0.00 N ATOM 806 CZ ARG A 55 -3.053 12.969 -3.492 1.00 0.00 C ATOM 807 NH1 ARG A 55 -3.076 12.906 -4.816 1.00 0.00 N ATOM 808 NH2 ARG A 55 -3.106 14.149 -2.887 1.00 0.00 N ATOM 0 H ARG A 55 -0.434 7.579 -3.057 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.026 7.890 -5.894 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.683 9.590 -5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.179 8.315 -4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.050 9.648 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.885 10.962 -3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.493 10.499 -4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.379 9.803 -2.676 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.963 11.938 -1.756 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.036 12.001 -5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.134 13.763 -5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.089 14.201 -1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.164 15.004 -3.441 1.00 0.00 H new ATOM 822 N HIS A 56 1.410 9.935 -3.746 1.00 0.00 N ATOM 823 CA HIS A 56 2.449 10.950 -3.605 1.00 0.00 C ATOM 824 C HIS A 56 3.758 10.477 -4.230 1.00 0.00 C ATOM 825 O HIS A 56 3.939 9.287 -4.486 1.00 0.00 O ATOM 826 CB HIS A 56 2.667 11.285 -2.129 1.00 0.00 C ATOM 827 CG HIS A 56 1.615 12.186 -1.558 1.00 0.00 C ATOM 828 ND1 HIS A 56 0.672 11.759 -0.647 1.00 0.00 N ATOM 829 CD2 HIS A 56 1.362 13.498 -1.772 1.00 0.00 C ATOM 830 CE1 HIS A 56 -0.116 12.769 -0.327 1.00 0.00 C ATOM 831 NE2 HIS A 56 0.281 13.836 -0.996 1.00 0.00 N ATOM 0 H HIS A 56 1.006 9.620 -2.864 1.00 0.00 H new ATOM 0 HA HIS A 56 2.120 11.847 -4.129 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.692 10.359 -1.554 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.642 11.759 -2.012 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.909 14.157 -2.431 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.945 12.729 0.365 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.146 14.761 -0.945 1.00 0.00 H new ATOM 839 N GLN A 57 4.665 11.417 -4.473 1.00 0.00 N ATOM 840 CA GLN A 57 5.956 11.096 -5.070 1.00 0.00 C ATOM 841 C GLN A 57 6.793 10.236 -4.127 1.00 0.00 C ATOM 842 O GLN A 57 6.961 9.037 -4.350 1.00 0.00 O ATOM 843 CB GLN A 57 6.714 12.378 -5.418 1.00 0.00 C ATOM 844 CG GLN A 57 6.290 12.996 -6.740 1.00 0.00 C ATOM 845 CD GLN A 57 7.097 14.230 -7.094 1.00 0.00 C ATOM 846 OE1 GLN A 57 6.644 15.358 -6.901 1.00 0.00 O ATOM 847 NE2 GLN A 57 8.300 14.021 -7.614 1.00 0.00 N ATOM 0 H GLN A 57 4.530 12.407 -4.266 1.00 0.00 H new ATOM 0 HA GLN A 57 5.775 10.530 -5.984 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.564 13.107 -4.621 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.781 12.161 -5.454 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.398 12.256 -7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.233 13.259 -6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.635 13.068 -7.757 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.889 14.813 -7.871 1.00 0.00 H new ATOM 856 N SER A 58 7.315 10.857 -3.075 1.00 0.00 N ATOM 857 CA SER A 58 8.137 10.150 -2.100 1.00 0.00 C ATOM 858 C SER A 58 7.494 8.824 -1.706 1.00 0.00 C ATOM 859 O SER A 58 8.177 7.814 -1.543 1.00 0.00 O ATOM 860 CB SER A 58 8.351 11.016 -0.857 1.00 0.00 C ATOM 861 OG SER A 58 9.239 12.087 -1.128 1.00 0.00 O ATOM 0 H SER A 58 7.183 11.849 -2.876 1.00 0.00 H new ATOM 0 HA SER A 58 9.103 9.942 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.394 11.411 -0.516 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.750 10.404 -0.048 1.00 0.00 H new ATOM 0 HG SER A 58 9.358 12.626 -0.318 1.00 0.00 H new ATOM 867 N ASP A 59 6.174 8.837 -1.555 1.00 0.00 N ATOM 868 CA ASP A 59 5.436 7.636 -1.181 1.00 0.00 C ATOM 869 C ASP A 59 5.861 6.448 -2.038 1.00 0.00 C ATOM 870 O ASP A 59 6.134 5.363 -1.522 1.00 0.00 O ATOM 871 CB ASP A 59 3.931 7.871 -1.324 1.00 0.00 C ATOM 872 CG ASP A 59 3.274 8.233 -0.006 1.00 0.00 C ATOM 873 OD1 ASP A 59 3.252 9.434 0.336 1.00 0.00 O ATOM 874 OD2 ASP A 59 2.783 7.315 0.684 1.00 0.00 O ATOM 0 H ASP A 59 5.593 9.665 -1.686 1.00 0.00 H new ATOM 0 HA ASP A 59 5.663 7.410 -0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.758 8.670 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.462 6.973 -1.726 1.00 0.00 H new ATOM 879 N HIS A 60 5.913 6.659 -3.349 1.00 0.00 N ATOM 880 CA HIS A 60 6.305 5.605 -4.278 1.00 0.00 C ATOM 881 C HIS A 60 7.765 5.759 -4.691 1.00 0.00 C ATOM 882 O HIS A 60 8.137 5.446 -5.822 1.00 0.00 O ATOM 883 CB HIS A 60 5.408 5.628 -5.516 1.00 0.00 C ATOM 884 CG HIS A 60 5.447 6.928 -6.260 1.00 0.00 C ATOM 885 ND1 HIS A 60 4.325 7.695 -6.495 1.00 0.00 N ATOM 886 CD2 HIS A 60 6.482 7.596 -6.820 1.00 0.00 C ATOM 887 CE1 HIS A 60 4.668 8.778 -7.169 1.00 0.00 C ATOM 888 NE2 HIS A 60 5.972 8.742 -7.379 1.00 0.00 N ATOM 0 H HIS A 60 5.689 7.550 -3.792 1.00 0.00 H new ATOM 0 HA HIS A 60 6.189 4.647 -3.771 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.710 4.825 -6.188 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.381 5.422 -5.214 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.516 7.286 -6.826 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.997 9.560 -7.493 1.00 0.00 H new ATOM 0 HE2 HIS A 60 6.512 9.450 -7.876 1.00 0.00 H new ATOM 896 N ASP A 61 8.588 6.243 -3.767 1.00 0.00 N ATOM 897 CA ASP A 61 10.008 6.438 -4.034 1.00 0.00 C ATOM 898 C ASP A 61 10.229 6.938 -5.458 1.00 0.00 C ATOM 899 O ASP A 61 11.055 6.398 -6.196 1.00 0.00 O ATOM 900 CB ASP A 61 10.775 5.133 -3.813 1.00 0.00 C ATOM 901 CG ASP A 61 10.081 3.941 -4.441 1.00 0.00 C ATOM 902 OD1 ASP A 61 10.304 3.691 -5.644 1.00 0.00 O ATOM 903 OD2 ASP A 61 9.313 3.258 -3.730 1.00 0.00 O ATOM 0 H ASP A 61 8.296 6.508 -2.826 1.00 0.00 H new ATOM 0 HA ASP A 61 10.383 7.191 -3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.777 5.228 -4.231 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.891 4.960 -2.743 1.00 0.00 H new ATOM 908 N CYS A 62 9.486 7.971 -5.839 1.00 0.00 N ATOM 909 CA CYS A 62 9.599 8.544 -7.175 1.00 0.00 C ATOM 910 C CYS A 62 11.061 8.652 -7.599 1.00 0.00 C ATOM 911 O CYS A 62 11.844 9.372 -6.981 1.00 0.00 O ATOM 912 CB CYS A 62 8.940 9.924 -7.219 1.00 0.00 C ATOM 913 SG CYS A 62 8.481 10.476 -8.893 1.00 0.00 S ATOM 0 H CYS A 62 8.798 8.429 -5.241 1.00 0.00 H new ATOM 0 HA CYS A 62 9.085 7.882 -7.872 1.00 0.00 H new ATOM 0 HB2 CYS A 62 8.046 9.908 -6.596 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.621 10.654 -6.781 1.00 0.00 H new ATOM 918 N GLU A 63 11.420 7.932 -8.657 1.00 0.00 N ATOM 919 CA GLU A 63 12.788 7.947 -9.162 1.00 0.00 C ATOM 920 C GLU A 63 13.176 9.344 -9.640 1.00 0.00 C ATOM 921 O GLU A 63 14.313 9.780 -9.462 1.00 0.00 O ATOM 922 CB GLU A 63 12.943 6.943 -10.306 1.00 0.00 C ATOM 923 CG GLU A 63 12.008 7.203 -11.475 1.00 0.00 C ATOM 924 CD GLU A 63 12.534 6.639 -12.781 1.00 0.00 C ATOM 925 OE1 GLU A 63 12.850 5.432 -12.822 1.00 0.00 O ATOM 926 OE2 GLU A 63 12.631 7.407 -13.761 1.00 0.00 O ATOM 0 H GLU A 63 10.783 7.331 -9.181 1.00 0.00 H new ATOM 0 HA GLU A 63 13.453 7.663 -8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.973 6.968 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.762 5.938 -9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.034 6.764 -11.260 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.857 8.277 -11.582 1.00 0.00 H new ATOM 933 N LYS A 64 12.222 10.041 -10.248 1.00 0.00 N ATOM 934 CA LYS A 64 12.461 11.388 -10.751 1.00 0.00 C ATOM 935 C LYS A 64 13.064 12.275 -9.667 1.00 0.00 C ATOM 936 O LYS A 64 13.943 13.094 -9.937 1.00 0.00 O ATOM 937 CB LYS A 64 11.156 12.003 -11.262 1.00 0.00 C ATOM 938 CG LYS A 64 10.595 11.307 -12.489 1.00 0.00 C ATOM 939 CD LYS A 64 11.457 11.558 -13.715 1.00 0.00 C ATOM 940 CE LYS A 64 11.027 12.817 -14.451 1.00 0.00 C ATOM 941 NZ LYS A 64 11.783 14.015 -13.990 1.00 0.00 N ATOM 0 H LYS A 64 11.275 9.695 -10.404 1.00 0.00 H new ATOM 0 HA LYS A 64 13.171 11.320 -11.576 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.413 11.971 -10.465 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.327 13.054 -11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.529 10.235 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.581 11.660 -12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.501 11.650 -13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.393 10.702 -14.387 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.179 12.682 -15.522 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.960 12.980 -14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.117 14.732 -13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.434 13.742 -13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.327 14.409 -14.784 1.00 0.00 H new ATOM 955 N LEU A 65 12.586 12.107 -8.439 1.00 0.00 N ATOM 956 CA LEU A 65 13.079 12.892 -7.312 1.00 0.00 C ATOM 957 C LEU A 65 14.604 12.907 -7.285 1.00 0.00 C ATOM 958 O LEU A 65 15.255 12.272 -8.114 1.00 0.00 O ATOM 959 CB LEU A 65 12.540 12.327 -5.997 1.00 0.00 C ATOM 960 CG LEU A 65 11.088 12.674 -5.662 1.00 0.00 C ATOM 961 CD1 LEU A 65 10.602 11.850 -4.480 1.00 0.00 C ATOM 962 CD2 LEU A 65 10.949 14.161 -5.372 1.00 0.00 C ATOM 0 H LEU A 65 11.858 11.435 -8.198 1.00 0.00 H new ATOM 0 HA LEU A 65 12.726 13.916 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.636 11.242 -6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.174 12.683 -5.185 1.00 0.00 H new ATOM 0 HG LEU A 65 10.468 12.433 -6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.567 12.110 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.665 10.790 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.225 12.059 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.910 14.390 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.581 14.427 -4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.256 14.733 -6.248 1.00 0.00 H new ATOM 974 N GLU A 66 15.166 13.635 -6.324 1.00 0.00 N ATOM 975 CA GLU A 66 16.615 13.731 -6.189 1.00 0.00 C ATOM 976 C GLU A 66 17.189 12.460 -5.567 1.00 0.00 C ATOM 977 O GLU A 66 17.999 12.520 -4.642 1.00 0.00 O ATOM 978 CB GLU A 66 16.991 14.944 -5.336 1.00 0.00 C ATOM 979 CG GLU A 66 16.488 14.860 -3.904 1.00 0.00 C ATOM 980 CD GLU A 66 17.176 15.851 -2.986 1.00 0.00 C ATOM 981 OE1 GLU A 66 17.264 17.040 -3.357 1.00 0.00 O ATOM 982 OE2 GLU A 66 17.625 15.438 -1.896 1.00 0.00 O ATOM 0 H GLU A 66 14.641 14.166 -5.629 1.00 0.00 H new ATOM 0 HA GLU A 66 17.040 13.851 -7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.076 15.048 -5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 66 16.589 15.844 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.413 15.042 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.646 13.850 -3.526 1.00 0.00 H new ATOM 989 N VAL A 67 16.762 11.312 -6.082 1.00 0.00 N ATOM 990 CA VAL A 67 17.232 10.027 -5.579 1.00 0.00 C ATOM 991 C VAL A 67 18.348 9.469 -6.455 1.00 0.00 C ATOM 992 O VAL A 67 18.450 9.801 -7.636 1.00 0.00 O ATOM 993 CB VAL A 67 16.088 8.998 -5.508 1.00 0.00 C ATOM 994 CG1 VAL A 67 14.999 9.477 -4.560 1.00 0.00 C ATOM 995 CG2 VAL A 67 15.521 8.736 -6.895 1.00 0.00 C ATOM 0 H VAL A 67 16.091 11.245 -6.848 1.00 0.00 H new ATOM 0 HA VAL A 67 17.615 10.203 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 67 16.488 8.061 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 67 14.199 8.738 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 67 15.418 9.610 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.599 10.427 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 67 14.714 8.007 -6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 67 15.135 9.666 -7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 67 16.307 8.347 -7.542 1.00 0.00 H new ATOM 1005 N ALA A 68 19.184 8.617 -5.869 1.00 0.00 N ATOM 1006 CA ALA A 68 20.291 8.011 -6.597 1.00 0.00 C ATOM 1007 C ALA A 68 20.556 6.590 -6.110 1.00 0.00 C ATOM 1008 O ALA A 68 20.976 6.380 -4.972 1.00 0.00 O ATOM 1009 CB ALA A 68 21.545 8.861 -6.455 1.00 0.00 C ATOM 0 H ALA A 68 19.115 8.331 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 68 20.016 7.961 -7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 68 22.364 8.396 -7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 68 21.357 9.856 -6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 68 21.813 8.940 -5.402 1.00 0.00 H new ATOM 1015 N LYS A 69 20.306 5.616 -6.979 1.00 0.00 N ATOM 1016 CA LYS A 69 20.517 4.214 -6.638 1.00 0.00 C ATOM 1017 C LYS A 69 21.031 3.433 -7.843 1.00 0.00 C ATOM 1018 O LYS A 69 20.312 3.202 -8.816 1.00 0.00 O ATOM 1019 CB LYS A 69 19.216 3.590 -6.129 1.00 0.00 C ATOM 1020 CG LYS A 69 18.023 3.847 -7.034 1.00 0.00 C ATOM 1021 CD LYS A 69 17.380 5.191 -6.741 1.00 0.00 C ATOM 1022 CE LYS A 69 16.070 5.360 -7.496 1.00 0.00 C ATOM 1023 NZ LYS A 69 16.294 5.599 -8.948 1.00 0.00 N ATOM 0 H LYS A 69 19.957 5.772 -7.925 1.00 0.00 H new ATOM 0 HA LYS A 69 21.268 4.167 -5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 69 19.356 2.514 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 69 18.999 3.982 -5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.342 3.815 -8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 69 17.287 3.054 -6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.198 5.283 -5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 69 18.066 5.992 -7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.458 4.468 -7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.512 6.195 -7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.378 5.709 -9.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.857 6.464 -9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.804 4.791 -9.358 1.00 0.00 H new ATOM 1037 N PRO A 70 22.303 3.013 -7.779 1.00 0.00 N ATOM 1038 CA PRO A 70 22.940 2.249 -8.856 1.00 0.00 C ATOM 1039 C PRO A 70 22.378 0.837 -8.977 1.00 0.00 C ATOM 1040 O PRO A 70 22.946 -0.011 -9.665 1.00 0.00 O ATOM 1041 CB PRO A 70 24.412 2.205 -8.438 1.00 0.00 C ATOM 1042 CG PRO A 70 24.389 2.359 -6.956 1.00 0.00 C ATOM 1043 CD PRO A 70 23.218 3.252 -6.650 1.00 0.00 C ATOM 0 HA PRO A 70 22.773 2.705 -9.832 1.00 0.00 H new ATOM 0 HB2 PRO A 70 24.879 1.265 -8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 70 24.982 3.005 -8.911 1.00 0.00 H new ATOM 0 HG2 PRO A 70 24.281 1.392 -6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 70 25.319 2.798 -6.595 1.00 0.00 H new ATOM 0 HD2 PRO A 70 22.756 2.996 -5.697 1.00 0.00 H new ATOM 0 HD3 PRO A 70 23.516 4.299 -6.589 1.00 0.00 H new ATOM 1051 N ARG A 71 21.259 0.592 -8.303 1.00 0.00 N ATOM 1052 CA ARG A 71 20.620 -0.719 -8.334 1.00 0.00 C ATOM 1053 C ARG A 71 20.737 -1.347 -9.720 1.00 0.00 C ATOM 1054 O ARG A 71 20.294 -0.771 -10.713 1.00 0.00 O ATOM 1055 CB ARG A 71 19.147 -0.602 -7.938 1.00 0.00 C ATOM 1056 CG ARG A 71 18.926 -0.505 -6.437 1.00 0.00 C ATOM 1057 CD ARG A 71 17.506 -0.895 -6.057 1.00 0.00 C ATOM 1058 NE ARG A 71 16.544 0.152 -6.389 1.00 0.00 N ATOM 1059 CZ ARG A 71 15.227 -0.018 -6.339 1.00 0.00 C ATOM 1060 NH1 ARG A 71 14.719 -1.187 -5.974 1.00 0.00 N ATOM 1061 NH2 ARG A 71 14.416 0.983 -6.656 1.00 0.00 N ATOM 0 H ARG A 71 20.776 1.283 -7.729 1.00 0.00 H new ATOM 0 HA ARG A 71 21.131 -1.362 -7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 71 18.719 0.279 -8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.607 -1.468 -8.321 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.633 -1.154 -5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 71 19.127 0.513 -6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.232 -1.815 -6.573 1.00 0.00 H new ATOM 0 HD3 ARG A 71 17.461 -1.103 -4.988 1.00 0.00 H new ATOM 0 HE ARG A 71 16.902 1.063 -6.675 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.340 -1.959 -5.731 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.708 -1.314 -5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.803 1.883 -6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.405 0.852 -6.618 1.00 0.00 H new ATOM 1075 N MET A 72 21.336 -2.532 -9.778 1.00 0.00 N ATOM 1076 CA MET A 72 21.510 -3.239 -11.041 1.00 0.00 C ATOM 1077 C MET A 72 20.553 -4.424 -11.137 1.00 0.00 C ATOM 1078 O MET A 72 19.794 -4.698 -10.209 1.00 0.00 O ATOM 1079 CB MET A 72 22.954 -3.722 -11.185 1.00 0.00 C ATOM 1080 CG MET A 72 23.869 -2.710 -11.856 1.00 0.00 C ATOM 1081 SD MET A 72 25.529 -3.355 -12.139 1.00 0.00 S ATOM 1082 CE MET A 72 26.391 -1.866 -12.635 1.00 0.00 C ATOM 0 H MET A 72 21.709 -3.023 -8.965 1.00 0.00 H new ATOM 0 HA MET A 72 21.284 -2.545 -11.851 1.00 0.00 H new ATOM 0 HB2 MET A 72 23.350 -3.958 -10.197 1.00 0.00 H new ATOM 0 HB3 MET A 72 22.963 -4.647 -11.762 1.00 0.00 H new ATOM 0 HG2 MET A 72 23.434 -2.408 -12.808 1.00 0.00 H new ATOM 0 HG3 MET A 72 23.932 -1.816 -11.236 1.00 0.00 H new ATOM 0 HE1 MET A 72 27.434 -2.102 -12.845 1.00 0.00 H new ATOM 0 HE2 MET A 72 25.924 -1.457 -13.531 1.00 0.00 H new ATOM 0 HE3 MET A 72 26.340 -1.131 -11.831 1.00 0.00 H new ATOM 1092 N ALA A 73 20.596 -5.123 -12.267 1.00 0.00 N ATOM 1093 CA ALA A 73 19.735 -6.279 -12.483 1.00 0.00 C ATOM 1094 C ALA A 73 18.270 -5.922 -12.253 1.00 0.00 C ATOM 1095 O ALA A 73 17.526 -6.683 -11.634 1.00 0.00 O ATOM 1096 CB ALA A 73 20.151 -7.425 -11.573 1.00 0.00 C ATOM 0 H ALA A 73 21.218 -4.909 -13.047 1.00 0.00 H new ATOM 0 HA ALA A 73 19.846 -6.596 -13.520 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.499 -8.281 -11.745 1.00 0.00 H new ATOM 0 HB2 ALA A 73 21.182 -7.705 -11.788 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.070 -7.111 -10.532 1.00 0.00 H new ATOM 1102 N ALA A 74 17.862 -4.761 -12.754 1.00 0.00 N ATOM 1103 CA ALA A 74 16.486 -4.305 -12.603 1.00 0.00 C ATOM 1104 C ALA A 74 15.568 -4.988 -13.612 1.00 0.00 C ATOM 1105 O ALA A 74 15.965 -5.257 -14.746 1.00 0.00 O ATOM 1106 CB ALA A 74 16.411 -2.793 -12.758 1.00 0.00 C ATOM 0 H ALA A 74 18.465 -4.119 -13.268 1.00 0.00 H new ATOM 0 HA ALA A 74 16.148 -4.574 -11.602 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.378 -2.466 -12.643 1.00 0.00 H new ATOM 0 HB2 ALA A 74 17.029 -2.318 -11.996 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.773 -2.510 -13.746 1.00 0.00 H new ATOM 1112 N THR A 75 14.338 -5.266 -13.191 1.00 0.00 N ATOM 1113 CA THR A 75 13.364 -5.919 -14.057 1.00 0.00 C ATOM 1114 C THR A 75 13.293 -5.236 -15.418 1.00 0.00 C ATOM 1115 O THR A 75 13.775 -4.117 -15.586 1.00 0.00 O ATOM 1116 CB THR A 75 11.961 -5.921 -13.422 1.00 0.00 C ATOM 1117 OG1 THR A 75 11.579 -4.586 -13.074 1.00 0.00 O ATOM 1118 CG2 THR A 75 11.928 -6.803 -12.183 1.00 0.00 C ATOM 0 H THR A 75 13.993 -5.049 -12.256 1.00 0.00 H new ATOM 0 HA THR A 75 13.697 -6.949 -14.188 1.00 0.00 H new ATOM 0 HB THR A 75 11.257 -6.321 -14.152 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.685 -4.596 -12.672 1.00 0.00 H new ATOM 0 HG21 THR A 75 10.927 -6.788 -11.752 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.190 -7.825 -12.457 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.643 -6.429 -11.451 1.00 0.00 H new ATOM 1126 N GLN A 76 12.689 -5.918 -16.386 1.00 0.00 N ATOM 1127 CA GLN A 76 12.555 -5.375 -17.733 1.00 0.00 C ATOM 1128 C GLN A 76 11.525 -4.251 -17.767 1.00 0.00 C ATOM 1129 O GLN A 76 10.581 -4.235 -16.976 1.00 0.00 O ATOM 1130 CB GLN A 76 12.155 -6.480 -18.713 1.00 0.00 C ATOM 1131 CG GLN A 76 13.328 -7.319 -19.195 1.00 0.00 C ATOM 1132 CD GLN A 76 12.997 -8.126 -20.435 1.00 0.00 C ATOM 1133 OE1 GLN A 76 13.578 -7.914 -21.500 1.00 0.00 O ATOM 1134 NE2 GLN A 76 12.060 -9.057 -20.303 1.00 0.00 N ATOM 0 H GLN A 76 12.285 -6.846 -16.263 1.00 0.00 H new ATOM 0 HA GLN A 76 13.521 -4.967 -18.031 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.425 -7.132 -18.234 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.663 -6.029 -19.575 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.175 -6.666 -19.406 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.638 -7.995 -18.398 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.605 -9.198 -19.401 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.795 -9.631 -21.103 1.00 0.00 H new ATOM 1143 N LYS A 77 11.711 -3.313 -18.689 1.00 0.00 N ATOM 1144 CA LYS A 77 10.798 -2.184 -18.828 1.00 0.00 C ATOM 1145 C LYS A 77 9.355 -2.621 -18.598 1.00 0.00 C ATOM 1146 O LYS A 77 9.004 -3.781 -18.818 1.00 0.00 O ATOM 1147 CB LYS A 77 10.937 -1.558 -20.217 1.00 0.00 C ATOM 1148 CG LYS A 77 10.185 -0.248 -20.371 1.00 0.00 C ATOM 1149 CD LYS A 77 10.954 0.913 -19.763 1.00 0.00 C ATOM 1150 CE LYS A 77 10.139 2.196 -19.787 1.00 0.00 C ATOM 1151 NZ LYS A 77 10.002 2.741 -21.166 1.00 0.00 N ATOM 0 H LYS A 77 12.486 -3.312 -19.352 1.00 0.00 H new ATOM 0 HA LYS A 77 11.059 -1.442 -18.074 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.993 -1.388 -20.426 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.575 -2.265 -20.963 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.006 -0.053 -21.428 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.209 -0.329 -19.892 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.225 0.672 -18.735 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.884 1.061 -20.312 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.149 2.005 -19.372 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.614 2.940 -19.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.440 3.616 -21.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.945 2.947 -21.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.525 2.041 -21.770 1.00 0.00 H new ATOM 1165 N LEU A 78 8.522 -1.685 -18.155 1.00 0.00 N ATOM 1166 CA LEU A 78 7.116 -1.973 -17.896 1.00 0.00 C ATOM 1167 C LEU A 78 6.248 -1.554 -19.079 1.00 0.00 C ATOM 1168 O LEU A 78 6.507 -0.537 -19.722 1.00 0.00 O ATOM 1169 CB LEU A 78 6.652 -1.254 -16.628 1.00 0.00 C ATOM 1170 CG LEU A 78 6.441 0.256 -16.752 1.00 0.00 C ATOM 1171 CD1 LEU A 78 5.647 0.783 -15.567 1.00 0.00 C ATOM 1172 CD2 LEU A 78 7.778 0.974 -16.863 1.00 0.00 C ATOM 0 H LEU A 78 8.796 -0.721 -17.968 1.00 0.00 H new ATOM 0 HA LEU A 78 7.011 -3.049 -17.754 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.716 -1.706 -16.300 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.386 -1.435 -15.843 1.00 0.00 H new ATOM 0 HG LEU A 78 5.871 0.451 -17.660 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.507 1.859 -15.672 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.675 0.292 -15.533 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.190 0.577 -14.645 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.609 2.047 -16.950 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.374 0.772 -15.973 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.310 0.618 -17.745 1.00 0.00 H new ATOM 1184 N VAL A 79 5.216 -2.344 -19.358 1.00 0.00 N ATOM 1185 CA VAL A 79 4.307 -2.053 -20.460 1.00 0.00 C ATOM 1186 C VAL A 79 3.452 -0.828 -20.159 1.00 0.00 C ATOM 1187 O VAL A 79 3.361 0.093 -20.972 1.00 0.00 O ATOM 1188 CB VAL A 79 3.384 -3.250 -20.757 1.00 0.00 C ATOM 1189 CG1 VAL A 79 2.419 -2.914 -21.884 1.00 0.00 C ATOM 1190 CG2 VAL A 79 4.205 -4.485 -21.097 1.00 0.00 C ATOM 0 H VAL A 79 4.989 -3.190 -18.836 1.00 0.00 H new ATOM 0 HA VAL A 79 4.925 -1.854 -21.336 1.00 0.00 H new ATOM 0 HB VAL A 79 2.799 -3.466 -19.863 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.775 -3.772 -22.080 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.807 -2.059 -21.596 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.982 -2.670 -22.785 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.536 -5.321 -21.304 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.818 -4.284 -21.976 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.850 -4.736 -20.255 1.00 0.00 H new ATOM 1200 N ARG A 80 2.827 -0.823 -18.987 1.00 0.00 N ATOM 1201 CA ARG A 80 1.978 0.290 -18.578 1.00 0.00 C ATOM 1202 C ARG A 80 2.732 1.613 -18.672 1.00 0.00 C ATOM 1203 O ARG A 80 3.448 1.998 -17.748 1.00 0.00 O ATOM 1204 CB ARG A 80 1.476 0.078 -17.149 1.00 0.00 C ATOM 1205 CG ARG A 80 0.196 -0.738 -17.068 1.00 0.00 C ATOM 1206 CD ARG A 80 0.458 -2.213 -17.333 1.00 0.00 C ATOM 1207 NE ARG A 80 -0.616 -3.060 -16.822 1.00 0.00 N ATOM 1208 CZ ARG A 80 -0.887 -4.270 -17.298 1.00 0.00 C ATOM 1209 NH1 ARG A 80 -0.166 -4.773 -18.290 1.00 0.00 N ATOM 1210 NH2 ARG A 80 -1.881 -4.981 -16.780 1.00 0.00 N ATOM 0 H ARG A 80 2.892 -1.577 -18.303 1.00 0.00 H new ATOM 0 HA ARG A 80 1.124 0.330 -19.254 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.253 -0.422 -16.570 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.308 1.049 -16.684 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.251 -0.618 -16.081 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.525 -0.359 -17.793 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.568 -2.375 -18.405 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.400 -2.503 -16.869 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.189 -2.703 -16.058 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.600 -4.231 -18.690 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.377 -5.703 -18.653 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.438 -4.598 -16.016 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.088 -5.910 -17.146 1.00 0.00 H new ATOM 1224 N SER A 81 2.568 2.303 -19.796 1.00 0.00 N ATOM 1225 CA SER A 81 3.237 3.581 -20.013 1.00 0.00 C ATOM 1226 C SER A 81 2.291 4.585 -20.665 1.00 0.00 C ATOM 1227 O SER A 81 1.243 4.216 -21.192 1.00 0.00 O ATOM 1228 CB SER A 81 4.477 3.389 -20.888 1.00 0.00 C ATOM 1229 OG SER A 81 5.195 4.603 -21.029 1.00 0.00 O ATOM 0 H SER A 81 1.978 1.999 -20.570 1.00 0.00 H new ATOM 0 HA SER A 81 3.543 3.973 -19.043 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.123 2.630 -20.447 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.179 3.023 -21.871 1.00 0.00 H new ATOM 0 HG SER A 81 5.984 4.453 -21.591 1.00 0.00 H new ATOM 1235 N GLY A 82 2.671 5.859 -20.625 1.00 0.00 N ATOM 1236 CA GLY A 82 1.847 6.897 -21.214 1.00 0.00 C ATOM 1237 C GLY A 82 2.448 8.279 -21.047 1.00 0.00 C ATOM 1238 O GLY A 82 3.418 8.473 -20.314 1.00 0.00 O ATOM 0 H GLY A 82 3.535 6.190 -20.195 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.710 6.690 -22.275 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.859 6.876 -20.755 1.00 0.00 H new ATOM 1242 N PRO A 83 1.866 9.269 -21.740 1.00 0.00 N ATOM 1243 CA PRO A 83 2.335 10.657 -21.682 1.00 0.00 C ATOM 1244 C PRO A 83 2.056 11.307 -20.330 1.00 0.00 C ATOM 1245 O PRO A 83 1.537 10.665 -19.418 1.00 0.00 O ATOM 1246 CB PRO A 83 1.529 11.350 -22.784 1.00 0.00 C ATOM 1247 CG PRO A 83 0.295 10.527 -22.925 1.00 0.00 C ATOM 1248 CD PRO A 83 0.706 9.111 -22.633 1.00 0.00 C ATOM 0 HA PRO A 83 3.415 10.728 -21.815 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.290 12.378 -22.513 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.088 11.389 -23.719 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.477 10.860 -22.232 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.119 10.614 -23.929 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.097 8.551 -22.154 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.970 8.574 -23.544 1.00 0.00 H new ATOM 1256 N SER A 84 2.405 12.584 -20.210 1.00 0.00 N ATOM 1257 CA SER A 84 2.196 13.319 -18.968 1.00 0.00 C ATOM 1258 C SER A 84 0.841 14.022 -18.975 1.00 0.00 C ATOM 1259 O SER A 84 0.478 14.683 -19.947 1.00 0.00 O ATOM 1260 CB SER A 84 3.313 14.344 -18.763 1.00 0.00 C ATOM 1261 OG SER A 84 3.179 15.002 -17.515 1.00 0.00 O ATOM 0 H SER A 84 2.833 13.131 -20.957 1.00 0.00 H new ATOM 0 HA SER A 84 2.212 12.605 -18.145 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.281 13.846 -18.813 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.290 15.078 -19.569 1.00 0.00 H new ATOM 0 HG SER A 84 3.906 15.651 -17.407 1.00 0.00 H new ATOM 1267 N SER A 85 0.099 13.873 -17.882 1.00 0.00 N ATOM 1268 CA SER A 85 -1.217 14.489 -17.762 1.00 0.00 C ATOM 1269 C SER A 85 -1.102 15.917 -17.236 1.00 0.00 C ATOM 1270 O SER A 85 -0.034 16.347 -16.804 1.00 0.00 O ATOM 1271 CB SER A 85 -2.108 13.661 -16.835 1.00 0.00 C ATOM 1272 OG SER A 85 -3.479 13.848 -17.144 1.00 0.00 O ATOM 0 H SER A 85 0.387 13.331 -17.067 1.00 0.00 H new ATOM 0 HA SER A 85 -1.668 14.521 -18.754 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.852 12.605 -16.927 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.923 13.945 -15.799 1.00 0.00 H new ATOM 0 HG SER A 85 -4.028 13.307 -16.539 1.00 0.00 H new ATOM 1278 N GLY A 86 -2.213 16.646 -17.276 1.00 0.00 N ATOM 1279 CA GLY A 86 -2.217 18.018 -16.801 1.00 0.00 C ATOM 1280 C GLY A 86 -2.203 18.107 -15.288 1.00 0.00 C ATOM 1281 O GLY A 86 -2.131 17.072 -14.627 1.00 0.00 O ATOM 0 H GLY A 86 -3.110 16.312 -17.628 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.348 18.540 -17.201 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.100 18.529 -17.184 1.00 0.00 H new TER 1285 GLY A 86 HETATM 1286 ZN ZN A 201 0.429 1.276 -3.926 1.00 0.00 ZN HETATM 1287 ZN ZN A 401 6.409 9.624 -9.487 1.00 0.00 ZN