USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 453 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 35 TYR OH : rot 165:sc= 0.0196 USER MOD Set 1.2: A 46 TYR OH : rot -11:sc= 1.25 USER MOD Set 2.1: A 1 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0759) USER MOD Set 2.2: A 30 LYS NZ :NH3+ -145:sc= -1.85 (180deg=-2.29) USER MOD Set 3.1: A 11 ASN : amide:sc= -1.77 K(o=-1.8,f=-4.9!) USER MOD Set 3.2: A 56 THR OG1 : rot 180:sc= 0.0167 USER MOD Set 4.1: A 2 LYS NZ :NH3+ -108:sc= -0.559 (180deg=-3.78!) USER MOD Set 4.2: A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ -165:sc= 0.811 (180deg=0.642) USER MOD Single : A 5 TYR OH : rot 94:sc= -2.14! USER MOD Single : A 9 SER OG : rot 180:sc= 0.0758 USER MOD Single : A 13 LYS NZ :NH3+ -132:sc= 0.437 (180deg=-3.6!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.724 USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= -0.571 (180deg=-2.9!) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.367 USER MOD Single : A 23 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -123:sc= -0.146 (180deg=-0.469) USER MOD Single : A 42 SER OG : rot -47:sc= -0.514! USER MOD Single : A 44 TYR OH : rot 180:sc= -0.75 USER MOD Single : A 51 ASN : amide:sc= -1.52! C(o=-1.5!,f=-8.3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -137:sc= 0.514 (180deg=-0.0865) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -3.96! C(o=-4!,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 3.858 14.252 3.324 1.00 0.00 N ATOM 2 CA LYS A 1 4.101 12.822 2.978 1.00 0.00 C ATOM 3 C LYS A 1 3.623 11.938 4.130 1.00 0.00 C ATOM 4 O LYS A 1 3.318 12.417 5.204 1.00 0.00 O ATOM 5 CB LYS A 1 5.597 12.597 2.759 1.00 0.00 C ATOM 6 CG LYS A 1 5.942 12.821 1.286 1.00 0.00 C ATOM 7 CD LYS A 1 7.417 13.208 1.166 1.00 0.00 C ATOM 8 CE LYS A 1 8.234 11.980 0.765 1.00 0.00 C ATOM 9 NZ LYS A 1 8.736 12.156 -0.626 1.00 0.00 N ATOM 0 H1 LYS A 1 3.938 14.835 2.467 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.904 14.355 3.725 1.00 0.00 H new ATOM 0 H3 LYS A 1 4.562 14.565 4.023 1.00 0.00 H new ATOM 0 HA LYS A 1 3.557 12.570 2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 1 6.173 13.279 3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 1 5.870 11.584 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 1 5.744 11.916 0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.313 13.607 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.538 13.997 0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.778 13.605 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 1 9.070 11.845 1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 1 7.619 11.082 0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 9.190 11.277 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.940 12.383 -1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 9.428 12.932 -0.650 1.00 0.00 H new ATOM 25 N LYS A 2 3.553 10.651 3.921 1.00 0.00 N ATOM 26 CA LYS A 2 3.095 9.755 5.015 1.00 0.00 C ATOM 27 C LYS A 2 3.281 8.286 4.616 1.00 0.00 C ATOM 28 O LYS A 2 3.144 7.921 3.465 1.00 0.00 O ATOM 29 CB LYS A 2 1.614 10.021 5.293 1.00 0.00 C ATOM 30 CG LYS A 2 0.804 9.777 4.019 1.00 0.00 C ATOM 31 CD LYS A 2 0.577 8.275 3.838 1.00 0.00 C ATOM 32 CE LYS A 2 -0.922 7.991 3.730 1.00 0.00 C ATOM 33 NZ LYS A 2 -1.531 8.919 2.735 1.00 0.00 N ATOM 0 H LYS A 2 3.792 10.186 3.045 1.00 0.00 H new ATOM 0 HA LYS A 2 3.686 9.954 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.260 9.369 6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.476 11.047 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.153 10.295 4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.333 10.182 3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.089 7.925 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.001 7.729 4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.087 6.957 3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.399 8.119 4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.110 9.627 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.778 9.399 2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.130 8.379 2.079 1.00 0.00 H new ATOM 47 N ASP A 3 3.565 7.440 5.570 1.00 0.00 N ATOM 48 CA ASP A 3 3.729 5.992 5.278 1.00 0.00 C ATOM 49 C ASP A 3 2.377 5.326 5.537 1.00 0.00 C ATOM 50 O ASP A 3 1.597 5.813 6.329 1.00 0.00 O ATOM 51 CB ASP A 3 4.772 5.406 6.230 1.00 0.00 C ATOM 52 CG ASP A 3 5.767 6.496 6.643 1.00 0.00 C ATOM 53 OD1 ASP A 3 6.054 7.350 5.820 1.00 0.00 O ATOM 54 OD2 ASP A 3 6.224 6.456 7.773 1.00 0.00 O ATOM 0 H ASP A 3 3.691 7.697 6.549 1.00 0.00 H new ATOM 0 HA ASP A 3 4.054 5.830 4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.282 4.995 7.112 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.299 4.584 5.746 1.00 0.00 H new ATOM 59 N GLY A 4 2.066 4.234 4.898 1.00 0.00 N ATOM 60 CA GLY A 4 0.736 3.618 5.176 1.00 0.00 C ATOM 61 C GLY A 4 0.391 2.528 4.166 1.00 0.00 C ATOM 62 O GLY A 4 1.240 1.985 3.489 1.00 0.00 O ATOM 0 H GLY A 4 2.652 3.752 4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.735 3.195 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.033 4.390 5.154 1.00 0.00 H new ATOM 66 N TYR A 5 -0.872 2.204 4.091 1.00 0.00 N ATOM 67 CA TYR A 5 -1.349 1.144 3.160 1.00 0.00 C ATOM 68 C TYR A 5 -2.051 1.805 1.960 1.00 0.00 C ATOM 69 O TYR A 5 -3.186 2.220 2.067 1.00 0.00 O ATOM 70 CB TYR A 5 -2.346 0.258 3.917 1.00 0.00 C ATOM 71 CG TYR A 5 -1.602 -0.745 4.775 1.00 0.00 C ATOM 72 CD1 TYR A 5 -0.490 -1.420 4.262 1.00 0.00 C ATOM 73 CD2 TYR A 5 -2.032 -1.001 6.086 1.00 0.00 C ATOM 74 CE1 TYR A 5 0.194 -2.350 5.056 1.00 0.00 C ATOM 75 CE2 TYR A 5 -1.346 -1.930 6.880 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.234 -2.604 6.364 1.00 0.00 C ATOM 77 OH TYR A 5 0.442 -3.520 7.146 1.00 0.00 O ATOM 0 H TYR A 5 -1.607 2.639 4.648 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.513 0.545 2.799 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.992 0.875 4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.991 -0.264 3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.158 -1.224 3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.892 -0.482 6.483 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.052 -2.871 4.658 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.676 -2.125 7.890 1.00 0.00 H new ATOM 0 HH TYR A 5 1.112 -3.055 7.690 1.00 0.00 H new ATOM 87 N PRO A 6 -1.353 1.885 0.852 1.00 0.00 N ATOM 88 CA PRO A 6 -1.894 2.494 -0.384 1.00 0.00 C ATOM 89 C PRO A 6 -2.963 1.609 -1.046 1.00 0.00 C ATOM 90 O PRO A 6 -2.716 0.470 -1.405 1.00 0.00 O ATOM 91 CB PRO A 6 -0.680 2.614 -1.312 1.00 0.00 C ATOM 92 CG PRO A 6 0.493 1.841 -0.656 1.00 0.00 C ATOM 93 CD PRO A 6 0.030 1.390 0.738 1.00 0.00 C ATOM 0 HA PRO A 6 -2.379 3.447 -0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.908 2.201 -2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.413 3.661 -1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.772 0.980 -1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.375 2.477 -0.579 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.072 0.305 0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.665 1.806 1.520 1.00 0.00 H new ATOM 101 N VAL A 7 -4.141 2.142 -1.246 1.00 0.00 N ATOM 102 CA VAL A 7 -5.219 1.354 -1.921 1.00 0.00 C ATOM 103 C VAL A 7 -5.489 1.962 -3.293 1.00 0.00 C ATOM 104 O VAL A 7 -5.410 3.161 -3.476 1.00 0.00 O ATOM 105 CB VAL A 7 -6.499 1.389 -1.091 1.00 0.00 C ATOM 106 CG1 VAL A 7 -6.226 0.770 0.277 1.00 0.00 C ATOM 107 CG2 VAL A 7 -6.961 2.837 -0.920 1.00 0.00 C ATOM 0 H VAL A 7 -4.404 3.088 -0.972 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.896 0.318 -2.025 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.281 0.823 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.137 0.792 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.900 -0.262 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.446 1.338 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.875 2.860 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.185 3.409 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.153 3.276 -1.899 1.00 0.00 H new ATOM 117 N ASP A 8 -5.802 1.153 -4.266 1.00 0.00 N ATOM 118 CA ASP A 8 -6.069 1.706 -5.621 1.00 0.00 C ATOM 119 C ASP A 8 -7.289 2.630 -5.557 1.00 0.00 C ATOM 120 O ASP A 8 -7.767 2.965 -4.491 1.00 0.00 O ATOM 121 CB ASP A 8 -6.314 0.560 -6.611 1.00 0.00 C ATOM 122 CG ASP A 8 -7.718 -0.010 -6.417 1.00 0.00 C ATOM 123 OD1 ASP A 8 -8.205 0.028 -5.300 1.00 0.00 O ATOM 124 OD2 ASP A 8 -8.287 -0.470 -7.393 1.00 0.00 O ATOM 0 H ASP A 8 -5.884 0.140 -4.182 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.206 2.278 -5.962 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.198 0.921 -7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.571 -0.224 -6.463 1.00 0.00 H new ATOM 129 N SER A 9 -7.786 3.058 -6.682 1.00 0.00 N ATOM 130 CA SER A 9 -8.963 3.976 -6.679 1.00 0.00 C ATOM 131 C SER A 9 -10.193 3.261 -6.111 1.00 0.00 C ATOM 132 O SER A 9 -11.120 3.886 -5.635 1.00 0.00 O ATOM 133 CB SER A 9 -9.251 4.424 -8.113 1.00 0.00 C ATOM 134 OG SER A 9 -8.802 3.422 -9.016 1.00 0.00 O ATOM 0 H SER A 9 -7.430 2.813 -7.606 1.00 0.00 H new ATOM 0 HA SER A 9 -8.741 4.842 -6.055 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.319 4.597 -8.245 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.747 5.368 -8.320 1.00 0.00 H new ATOM 0 HG SER A 9 -8.986 3.704 -9.936 1.00 0.00 H new ATOM 140 N GLY A 10 -10.216 1.959 -6.166 1.00 0.00 N ATOM 141 CA GLY A 10 -11.393 1.208 -5.642 1.00 0.00 C ATOM 142 C GLY A 10 -11.277 1.014 -4.125 1.00 0.00 C ATOM 143 O GLY A 10 -12.199 0.542 -3.491 1.00 0.00 O ATOM 0 H GLY A 10 -9.470 1.380 -6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.310 1.749 -5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.461 0.238 -6.134 1.00 0.00 H new ATOM 147 N ASN A 11 -10.154 1.359 -3.540 1.00 0.00 N ATOM 148 CA ASN A 11 -9.981 1.182 -2.066 1.00 0.00 C ATOM 149 C ASN A 11 -9.559 -0.258 -1.785 1.00 0.00 C ATOM 150 O ASN A 11 -10.067 -0.911 -0.893 1.00 0.00 O ATOM 151 CB ASN A 11 -11.290 1.496 -1.330 1.00 0.00 C ATOM 152 CG ASN A 11 -11.000 1.749 0.150 1.00 0.00 C ATOM 153 OD1 ASN A 11 -9.929 1.439 0.634 1.00 0.00 O ATOM 154 ND2 ASN A 11 -11.917 2.303 0.896 1.00 0.00 N ATOM 0 H ASN A 11 -9.349 1.757 -4.023 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.214 1.869 -1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.766 2.371 -1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.987 0.665 -1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.735 2.476 1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.816 2.563 0.490 1.00 0.00 H new ATOM 161 N CYS A 12 -8.618 -0.749 -2.539 1.00 0.00 N ATOM 162 CA CYS A 12 -8.133 -2.139 -2.328 1.00 0.00 C ATOM 163 C CYS A 12 -6.634 -2.090 -2.055 1.00 0.00 C ATOM 164 O CYS A 12 -5.844 -1.736 -2.908 1.00 0.00 O ATOM 165 CB CYS A 12 -8.407 -2.982 -3.571 1.00 0.00 C ATOM 166 SG CYS A 12 -9.688 -4.204 -3.196 1.00 0.00 S ATOM 0 H CYS A 12 -8.161 -0.243 -3.298 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.653 -2.590 -1.483 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.728 -2.343 -4.394 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.494 -3.483 -3.893 1.00 0.00 H new ATOM 171 N LYS A 13 -6.240 -2.415 -0.861 1.00 0.00 N ATOM 172 CA LYS A 13 -4.797 -2.361 -0.512 1.00 0.00 C ATOM 173 C LYS A 13 -3.989 -3.303 -1.398 1.00 0.00 C ATOM 174 O LYS A 13 -4.310 -4.466 -1.536 1.00 0.00 O ATOM 175 CB LYS A 13 -4.622 -2.777 0.946 1.00 0.00 C ATOM 176 CG LYS A 13 -3.938 -1.653 1.714 1.00 0.00 C ATOM 177 CD LYS A 13 -2.614 -1.296 1.033 1.00 0.00 C ATOM 178 CE LYS A 13 -1.679 -2.502 1.063 1.00 0.00 C ATOM 179 NZ LYS A 13 -0.472 -2.216 0.238 1.00 0.00 N ATOM 0 H LYS A 13 -6.857 -2.717 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.438 -1.343 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.592 -2.999 1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.027 -3.688 1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.587 -0.778 1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.757 -1.960 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.795 -0.989 0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.149 -0.451 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.387 -2.723 2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.193 -3.384 0.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.288 -3.018 -0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.633 -1.357 -0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.348 -2.073 0.861 1.00 0.00 H new ATOM 193 N TYR A 14 -2.923 -2.822 -1.985 1.00 0.00 N ATOM 194 CA TYR A 14 -2.096 -3.724 -2.833 1.00 0.00 C ATOM 195 C TYR A 14 -1.545 -4.833 -1.941 1.00 0.00 C ATOM 196 O TYR A 14 -1.228 -4.612 -0.790 1.00 0.00 O ATOM 197 CB TYR A 14 -0.940 -2.949 -3.472 1.00 0.00 C ATOM 198 CG TYR A 14 -1.490 -1.734 -4.181 1.00 0.00 C ATOM 199 CD1 TYR A 14 -2.188 -1.888 -5.385 1.00 0.00 C ATOM 200 CD2 TYR A 14 -1.308 -0.458 -3.637 1.00 0.00 C ATOM 201 CE1 TYR A 14 -2.704 -0.766 -6.043 1.00 0.00 C ATOM 202 CE2 TYR A 14 -1.825 0.663 -4.295 1.00 0.00 C ATOM 203 CZ TYR A 14 -2.521 0.509 -5.498 1.00 0.00 C ATOM 204 OH TYR A 14 -3.030 1.616 -6.145 1.00 0.00 O ATOM 0 H TYR A 14 -2.595 -1.859 -1.914 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.705 -4.143 -3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.223 -2.646 -2.709 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.405 -3.585 -4.177 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.328 -2.873 -5.806 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.768 -0.338 -2.709 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.243 -0.885 -6.971 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.687 1.648 -3.874 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.815 2.423 -5.632 1.00 0.00 H new ATOM 214 N GLU A 15 -1.444 -6.028 -2.448 1.00 0.00 N ATOM 215 CA GLU A 15 -0.930 -7.144 -1.606 1.00 0.00 C ATOM 216 C GLU A 15 0.592 -7.092 -1.533 1.00 0.00 C ATOM 217 O GLU A 15 1.219 -6.160 -1.998 1.00 0.00 O ATOM 218 CB GLU A 15 -1.338 -8.474 -2.219 1.00 0.00 C ATOM 219 CG GLU A 15 -2.796 -8.413 -2.676 1.00 0.00 C ATOM 220 CD GLU A 15 -3.701 -8.165 -1.469 1.00 0.00 C ATOM 221 OE1 GLU A 15 -3.469 -8.780 -0.441 1.00 0.00 O ATOM 222 OE2 GLU A 15 -4.612 -7.363 -1.593 1.00 0.00 O ATOM 0 H GLU A 15 -1.693 -6.281 -3.404 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.349 -7.044 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.692 -8.707 -3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.210 -9.274 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.925 -7.617 -3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.074 -9.346 -3.166 1.00 0.00 H new ATOM 229 N CYS A 16 1.190 -8.100 -0.958 1.00 0.00 N ATOM 230 CA CYS A 16 2.672 -8.122 -0.859 1.00 0.00 C ATOM 231 C CYS A 16 3.168 -9.549 -0.624 1.00 0.00 C ATOM 232 O CYS A 16 2.548 -10.333 0.067 1.00 0.00 O ATOM 233 CB CYS A 16 3.126 -7.222 0.291 1.00 0.00 C ATOM 234 SG CYS A 16 2.827 -8.025 1.885 1.00 0.00 S ATOM 0 H CYS A 16 0.715 -8.907 -0.554 1.00 0.00 H new ATOM 0 HA CYS A 16 3.092 -7.754 -1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.187 -6.995 0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.592 -6.273 0.250 1.00 0.00 H new ATOM 239 N LEU A 17 4.295 -9.881 -1.190 1.00 0.00 N ATOM 240 CA LEU A 17 4.857 -11.246 -1.002 1.00 0.00 C ATOM 241 C LEU A 17 6.296 -11.119 -0.497 1.00 0.00 C ATOM 242 O LEU A 17 6.688 -11.754 0.462 1.00 0.00 O ATOM 243 CB LEU A 17 4.840 -11.998 -2.335 1.00 0.00 C ATOM 244 CG LEU A 17 3.606 -11.584 -3.140 1.00 0.00 C ATOM 245 CD1 LEU A 17 3.976 -10.467 -4.117 1.00 0.00 C ATOM 246 CD2 LEU A 17 3.083 -12.789 -3.926 1.00 0.00 C ATOM 0 H LEU A 17 4.853 -9.262 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 17 4.258 -11.798 -0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.746 -11.779 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.828 -13.073 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 17 2.835 -11.227 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.094 -10.176 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.349 -9.607 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.749 -10.821 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.204 -12.495 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.858 -13.144 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.814 -13.586 -3.233 1.00 0.00 H new ATOM 258 N LYS A 18 7.085 -10.293 -1.133 1.00 0.00 N ATOM 259 CA LYS A 18 8.497 -10.111 -0.690 1.00 0.00 C ATOM 260 C LYS A 18 8.773 -8.616 -0.483 1.00 0.00 C ATOM 261 O LYS A 18 8.112 -7.771 -1.050 1.00 0.00 O ATOM 262 CB LYS A 18 9.444 -10.667 -1.753 1.00 0.00 C ATOM 263 CG LYS A 18 9.353 -12.195 -1.771 1.00 0.00 C ATOM 264 CD LYS A 18 9.298 -12.684 -3.220 1.00 0.00 C ATOM 265 CE LYS A 18 10.394 -13.725 -3.451 1.00 0.00 C ATOM 266 NZ LYS A 18 11.659 -13.263 -2.813 1.00 0.00 N ATOM 0 H LYS A 18 6.811 -9.736 -1.942 1.00 0.00 H new ATOM 0 HA LYS A 18 8.658 -10.645 0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.184 -10.265 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.467 -10.356 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.214 -12.628 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.465 -12.524 -1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.320 -13.117 -3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.429 -11.845 -3.903 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.093 -14.685 -3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.547 -13.877 -4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.472 -13.635 -3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.690 -12.223 -2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.699 -13.608 -1.833 1.00 0.00 H new ATOM 280 N ASP A 19 9.737 -8.284 0.333 1.00 0.00 N ATOM 281 CA ASP A 19 10.044 -6.844 0.585 1.00 0.00 C ATOM 282 C ASP A 19 10.411 -6.135 -0.723 1.00 0.00 C ATOM 283 O ASP A 19 10.138 -4.964 -0.897 1.00 0.00 O ATOM 284 CB ASP A 19 11.219 -6.736 1.560 1.00 0.00 C ATOM 285 CG ASP A 19 11.640 -5.271 1.691 1.00 0.00 C ATOM 286 OD1 ASP A 19 11.087 -4.590 2.539 1.00 0.00 O ATOM 287 OD2 ASP A 19 12.508 -4.855 0.942 1.00 0.00 O ATOM 0 H ASP A 19 10.326 -8.947 0.837 1.00 0.00 H new ATOM 0 HA ASP A 19 9.160 -6.369 1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.934 -7.132 2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.057 -7.336 1.204 1.00 0.00 H new ATOM 292 N ASP A 20 11.034 -6.822 -1.639 1.00 0.00 N ATOM 293 CA ASP A 20 11.419 -6.165 -2.921 1.00 0.00 C ATOM 294 C ASP A 20 10.167 -5.747 -3.693 1.00 0.00 C ATOM 295 O ASP A 20 10.180 -4.774 -4.417 1.00 0.00 O ATOM 296 CB ASP A 20 12.256 -7.119 -3.785 1.00 0.00 C ATOM 297 CG ASP A 20 12.004 -8.579 -3.395 1.00 0.00 C ATOM 298 OD1 ASP A 20 11.067 -9.157 -3.918 1.00 0.00 O ATOM 299 OD2 ASP A 20 12.753 -9.090 -2.579 1.00 0.00 O ATOM 0 H ASP A 20 11.293 -7.805 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 20 12.014 -5.282 -2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.010 -6.972 -4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.314 -6.886 -3.669 1.00 0.00 H new ATOM 304 N TYR A 21 9.083 -6.459 -3.551 1.00 0.00 N ATOM 305 CA TYR A 21 7.850 -6.063 -4.289 1.00 0.00 C ATOM 306 C TYR A 21 7.336 -4.746 -3.716 1.00 0.00 C ATOM 307 O TYR A 21 7.187 -3.764 -4.416 1.00 0.00 O ATOM 308 CB TYR A 21 6.772 -7.134 -4.120 1.00 0.00 C ATOM 309 CG TYR A 21 5.468 -6.631 -4.703 1.00 0.00 C ATOM 310 CD1 TYR A 21 5.470 -5.861 -5.874 1.00 0.00 C ATOM 311 CD2 TYR A 21 4.255 -6.933 -4.070 1.00 0.00 C ATOM 312 CE1 TYR A 21 4.263 -5.397 -6.411 1.00 0.00 C ATOM 313 CE2 TYR A 21 3.049 -6.468 -4.608 1.00 0.00 C ATOM 314 CZ TYR A 21 3.052 -5.701 -5.778 1.00 0.00 C ATOM 315 OH TYR A 21 1.862 -5.243 -6.307 1.00 0.00 O ATOM 0 H TYR A 21 8.997 -7.288 -2.963 1.00 0.00 H new ATOM 0 HA TYR A 21 8.082 -5.952 -5.348 1.00 0.00 H new ATOM 0 HB2 TYR A 21 7.076 -8.054 -4.620 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.643 -7.373 -3.064 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.404 -5.625 -6.363 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.250 -7.525 -3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.266 -4.804 -7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.115 -6.702 -4.119 1.00 0.00 H new ATOM 0 HH TYR A 21 1.117 -5.544 -5.746 1.00 0.00 H new ATOM 325 N CYS A 22 7.062 -4.722 -2.443 1.00 0.00 N ATOM 326 CA CYS A 22 6.555 -3.474 -1.816 1.00 0.00 C ATOM 327 C CYS A 22 7.465 -2.311 -2.163 1.00 0.00 C ATOM 328 O CYS A 22 7.010 -1.271 -2.543 1.00 0.00 O ATOM 329 CB CYS A 22 6.531 -3.627 -0.304 1.00 0.00 C ATOM 330 SG CYS A 22 5.267 -4.822 0.179 1.00 0.00 S ATOM 0 H CYS A 22 7.168 -5.514 -1.810 1.00 0.00 H new ATOM 0 HA CYS A 22 5.549 -3.285 -2.190 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.508 -3.955 0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.329 -2.663 0.164 1.00 0.00 H new ATOM 335 N ASN A 23 8.743 -2.474 -2.019 1.00 0.00 N ATOM 336 CA ASN A 23 9.680 -1.359 -2.331 1.00 0.00 C ATOM 337 C ASN A 23 9.483 -0.915 -3.770 1.00 0.00 C ATOM 338 O ASN A 23 9.353 0.252 -4.060 1.00 0.00 O ATOM 339 CB ASN A 23 11.110 -1.863 -2.162 1.00 0.00 C ATOM 340 CG ASN A 23 12.074 -0.676 -2.165 1.00 0.00 C ATOM 341 OD1 ASN A 23 11.717 0.412 -1.758 1.00 0.00 O ATOM 342 ND2 ASN A 23 13.287 -0.838 -2.613 1.00 0.00 N ATOM 0 H ASN A 23 9.186 -3.335 -1.697 1.00 0.00 H new ATOM 0 HA ASN A 23 9.490 -0.520 -1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.203 -2.418 -1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.362 -2.551 -2.969 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.937 -0.052 -2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.587 -1.751 -2.955 1.00 0.00 H new ATOM 349 N ASP A 24 9.477 -1.844 -4.667 1.00 0.00 N ATOM 350 CA ASP A 24 9.296 -1.495 -6.111 1.00 0.00 C ATOM 351 C ASP A 24 7.974 -0.744 -6.300 1.00 0.00 C ATOM 352 O ASP A 24 7.947 0.450 -6.522 1.00 0.00 O ATOM 353 CB ASP A 24 9.267 -2.778 -6.944 1.00 0.00 C ATOM 354 CG ASP A 24 9.275 -2.428 -8.433 1.00 0.00 C ATOM 355 OD1 ASP A 24 9.273 -1.249 -8.746 1.00 0.00 O ATOM 356 OD2 ASP A 24 9.281 -3.347 -9.236 1.00 0.00 O ATOM 0 H ASP A 24 9.589 -2.839 -4.473 1.00 0.00 H new ATOM 0 HA ASP A 24 10.123 -0.863 -6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.129 -3.399 -6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.377 -3.360 -6.702 1.00 0.00 H new ATOM 361 N LEU A 25 6.880 -1.444 -6.220 1.00 0.00 N ATOM 362 CA LEU A 25 5.544 -0.804 -6.393 1.00 0.00 C ATOM 363 C LEU A 25 5.484 0.505 -5.590 1.00 0.00 C ATOM 364 O LEU A 25 4.944 1.503 -6.029 1.00 0.00 O ATOM 365 CB LEU A 25 4.480 -1.779 -5.871 1.00 0.00 C ATOM 366 CG LEU A 25 3.125 -1.081 -5.742 1.00 0.00 C ATOM 367 CD1 LEU A 25 2.069 -1.888 -6.500 1.00 0.00 C ATOM 368 CD2 LEU A 25 2.729 -1.006 -4.265 1.00 0.00 C ATOM 0 H LEU A 25 6.852 -2.448 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 25 5.368 -0.576 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.394 -2.629 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.785 -2.174 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 25 3.193 -0.075 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.101 -1.395 -6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.347 -1.954 -7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.005 -2.891 -6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.764 -0.509 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.659 -2.014 -3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.482 -0.442 -3.715 1.00 0.00 H new ATOM 380 N CYS A 26 6.036 0.488 -4.414 1.00 0.00 N ATOM 381 CA CYS A 26 6.035 1.678 -3.526 1.00 0.00 C ATOM 382 C CYS A 26 6.760 2.849 -4.191 1.00 0.00 C ATOM 383 O CYS A 26 6.340 3.988 -4.109 1.00 0.00 O ATOM 384 CB CYS A 26 6.778 1.302 -2.241 1.00 0.00 C ATOM 385 SG CYS A 26 5.637 0.535 -1.056 1.00 0.00 S ATOM 0 H CYS A 26 6.503 -0.328 -4.019 1.00 0.00 H new ATOM 0 HA CYS A 26 5.008 1.979 -3.319 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.591 0.614 -2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.228 2.191 -1.800 1.00 0.00 H new ATOM 390 N LEU A 27 7.860 2.573 -4.823 1.00 0.00 N ATOM 391 CA LEU A 27 8.654 3.640 -5.477 1.00 0.00 C ATOM 392 C LEU A 27 7.854 4.270 -6.614 1.00 0.00 C ATOM 393 O LEU A 27 7.831 5.473 -6.775 1.00 0.00 O ATOM 394 CB LEU A 27 9.943 3.031 -6.034 1.00 0.00 C ATOM 395 CG LEU A 27 10.947 2.819 -4.900 1.00 0.00 C ATOM 396 CD1 LEU A 27 12.045 1.864 -5.368 1.00 0.00 C ATOM 397 CD2 LEU A 27 11.574 4.161 -4.509 1.00 0.00 C ATOM 0 H LEU A 27 8.249 1.635 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 27 8.892 4.412 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.726 2.081 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.369 3.689 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 27 10.434 2.394 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.762 1.711 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.602 0.908 -5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.555 2.291 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.289 4.007 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.087 4.588 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.793 4.845 -4.177 1.00 0.00 H new ATOM 409 N GLU A 28 7.207 3.473 -7.412 1.00 0.00 N ATOM 410 CA GLU A 28 6.424 4.047 -8.531 1.00 0.00 C ATOM 411 C GLU A 28 5.360 4.987 -7.973 1.00 0.00 C ATOM 412 O GLU A 28 4.987 5.964 -8.593 1.00 0.00 O ATOM 413 CB GLU A 28 5.763 2.928 -9.334 1.00 0.00 C ATOM 414 CG GLU A 28 5.779 3.295 -10.820 1.00 0.00 C ATOM 415 CD GLU A 28 4.398 3.039 -11.427 1.00 0.00 C ATOM 416 OE1 GLU A 28 3.554 3.914 -11.319 1.00 0.00 O ATOM 417 OE2 GLU A 28 4.209 1.974 -11.990 1.00 0.00 O ATOM 0 H GLU A 28 7.187 2.456 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 28 7.090 4.604 -9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.292 1.988 -9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.738 2.778 -8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.053 4.343 -10.943 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.532 2.705 -11.343 1.00 0.00 H new ATOM 424 N ARG A 29 4.870 4.699 -6.804 1.00 0.00 N ATOM 425 CA ARG A 29 3.827 5.577 -6.199 1.00 0.00 C ATOM 426 C ARG A 29 4.463 6.905 -5.786 1.00 0.00 C ATOM 427 O ARG A 29 3.793 7.910 -5.679 1.00 0.00 O ATOM 428 CB ARG A 29 3.190 4.925 -4.960 1.00 0.00 C ATOM 429 CG ARG A 29 3.376 3.405 -4.978 1.00 0.00 C ATOM 430 CD ARG A 29 2.801 2.830 -6.275 1.00 0.00 C ATOM 431 NE ARG A 29 1.455 3.426 -6.528 1.00 0.00 N ATOM 432 CZ ARG A 29 0.524 3.393 -5.617 1.00 0.00 C ATOM 433 NH1 ARG A 29 0.644 2.610 -4.580 1.00 0.00 N ATOM 434 NH2 ARG A 29 -0.569 4.085 -5.784 1.00 0.00 N ATOM 0 H ARG A 29 5.144 3.895 -6.239 1.00 0.00 H new ATOM 0 HA ARG A 29 3.048 5.737 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.639 5.338 -4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.127 5.164 -4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.434 3.158 -4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.877 2.958 -4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.469 3.046 -7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.723 1.745 -6.202 1.00 0.00 H new ATOM 0 HE ARG A 29 1.262 3.866 -7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.470 2.020 -4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.088 2.588 -3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.692 4.649 -6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.301 4.062 -5.074 1.00 0.00 H new ATOM 448 N LYS A 30 5.752 6.877 -5.553 1.00 0.00 N ATOM 449 CA LYS A 30 6.539 8.089 -5.131 1.00 0.00 C ATOM 450 C LYS A 30 7.074 7.871 -3.717 1.00 0.00 C ATOM 451 O LYS A 30 7.737 8.722 -3.157 1.00 0.00 O ATOM 452 CB LYS A 30 5.685 9.362 -5.138 1.00 0.00 C ATOM 453 CG LYS A 30 6.524 10.538 -4.629 1.00 0.00 C ATOM 454 CD LYS A 30 6.222 10.786 -3.146 1.00 0.00 C ATOM 455 CE LYS A 30 5.421 12.081 -2.995 1.00 0.00 C ATOM 456 NZ LYS A 30 5.241 12.388 -1.548 1.00 0.00 N ATOM 0 H LYS A 30 6.317 6.032 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 30 7.352 8.220 -5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.325 9.567 -6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.806 9.228 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.585 10.325 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.302 11.433 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.659 9.948 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.152 10.854 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.940 12.902 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.450 11.979 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.309 12.826 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.302 11.509 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.985 13.044 -1.237 1.00 0.00 H new ATOM 470 N ALA A 31 6.791 6.743 -3.127 1.00 0.00 N ATOM 471 CA ALA A 31 7.284 6.494 -1.745 1.00 0.00 C ATOM 472 C ALA A 31 8.791 6.270 -1.764 1.00 0.00 C ATOM 473 O ALA A 31 9.335 5.679 -2.675 1.00 0.00 O ATOM 474 CB ALA A 31 6.604 5.258 -1.165 1.00 0.00 C ATOM 0 H ALA A 31 6.243 5.988 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 31 7.051 7.362 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.970 5.082 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.526 5.415 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.830 4.392 -1.788 1.00 0.00 H new ATOM 480 N ASP A 32 9.463 6.726 -0.750 1.00 0.00 N ATOM 481 CA ASP A 32 10.924 6.539 -0.674 1.00 0.00 C ATOM 482 C ASP A 32 11.210 5.044 -0.634 1.00 0.00 C ATOM 483 O ASP A 32 12.069 4.538 -1.329 1.00 0.00 O ATOM 484 CB ASP A 32 11.425 7.187 0.610 1.00 0.00 C ATOM 485 CG ASP A 32 12.875 7.645 0.431 1.00 0.00 C ATOM 486 OD1 ASP A 32 13.124 8.415 -0.483 1.00 0.00 O ATOM 487 OD2 ASP A 32 13.710 7.221 1.212 1.00 0.00 O ATOM 0 H ASP A 32 9.052 7.227 0.038 1.00 0.00 H new ATOM 0 HA ASP A 32 11.421 6.990 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.795 8.038 0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.357 6.479 1.436 1.00 0.00 H new ATOM 492 N LYS A 33 10.478 4.335 0.180 1.00 0.00 N ATOM 493 CA LYS A 33 10.679 2.860 0.280 1.00 0.00 C ATOM 494 C LYS A 33 9.429 2.214 0.884 1.00 0.00 C ATOM 495 O LYS A 33 8.539 2.892 1.356 1.00 0.00 O ATOM 496 CB LYS A 33 11.888 2.568 1.170 1.00 0.00 C ATOM 497 CG LYS A 33 11.637 3.128 2.571 1.00 0.00 C ATOM 498 CD LYS A 33 11.049 2.033 3.461 1.00 0.00 C ATOM 499 CE LYS A 33 12.135 1.498 4.394 1.00 0.00 C ATOM 500 NZ LYS A 33 11.542 1.209 5.729 1.00 0.00 N ATOM 0 H LYS A 33 9.747 4.714 0.782 1.00 0.00 H new ATOM 0 HA LYS A 33 10.855 2.449 -0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.063 1.493 1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.785 3.017 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.569 3.497 2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.953 3.975 2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.217 2.430 4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.651 1.225 2.847 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.576 0.593 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.939 2.228 4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.280 0.845 6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.142 2.082 6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.790 0.498 5.628 1.00 0.00 H new ATOM 514 N GLY A 34 9.352 0.910 0.871 1.00 0.00 N ATOM 515 CA GLY A 34 8.153 0.228 1.443 1.00 0.00 C ATOM 516 C GLY A 34 8.400 -1.279 1.516 1.00 0.00 C ATOM 517 O GLY A 34 9.077 -1.843 0.680 1.00 0.00 O ATOM 0 H GLY A 34 10.065 0.288 0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.941 0.620 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.278 0.433 0.826 1.00 0.00 H new ATOM 521 N TYR A 35 7.856 -1.940 2.507 1.00 0.00 N ATOM 522 CA TYR A 35 8.070 -3.411 2.612 1.00 0.00 C ATOM 523 C TYR A 35 6.735 -4.138 2.667 1.00 0.00 C ATOM 524 O TYR A 35 5.678 -3.547 2.598 1.00 0.00 O ATOM 525 CB TYR A 35 8.856 -3.757 3.875 1.00 0.00 C ATOM 526 CG TYR A 35 8.096 -3.286 5.092 1.00 0.00 C ATOM 527 CD1 TYR A 35 6.950 -3.975 5.505 1.00 0.00 C ATOM 528 CD2 TYR A 35 8.536 -2.167 5.809 1.00 0.00 C ATOM 529 CE1 TYR A 35 6.243 -3.545 6.634 1.00 0.00 C ATOM 530 CE2 TYR A 35 7.828 -1.738 6.939 1.00 0.00 C ATOM 531 CZ TYR A 35 6.682 -2.428 7.351 1.00 0.00 C ATOM 532 OH TYR A 35 5.984 -2.006 8.463 1.00 0.00 O ATOM 0 H TYR A 35 7.279 -1.528 3.240 1.00 0.00 H new ATOM 0 HA TYR A 35 8.632 -3.725 1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.019 -4.833 3.930 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.839 -3.287 3.844 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.611 -4.839 4.952 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.421 -1.635 5.491 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.358 -4.076 6.951 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.166 -0.875 7.492 1.00 0.00 H new ATOM 0 HH TYR A 35 6.536 -1.382 8.978 1.00 0.00 H new ATOM 542 N CYS A 36 6.796 -5.429 2.771 1.00 0.00 N ATOM 543 CA CYS A 36 5.562 -6.252 2.806 1.00 0.00 C ATOM 544 C CYS A 36 5.150 -6.576 4.234 1.00 0.00 C ATOM 545 O CYS A 36 5.694 -7.457 4.870 1.00 0.00 O ATOM 546 CB CYS A 36 5.849 -7.531 2.031 1.00 0.00 C ATOM 547 SG CYS A 36 4.615 -8.816 2.397 1.00 0.00 S ATOM 0 H CYS A 36 7.665 -5.960 2.835 1.00 0.00 H new ATOM 0 HA CYS A 36 4.735 -5.702 2.358 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.850 -7.319 0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.844 -7.897 2.284 1.00 0.00 H new ATOM 552 N TYR A 37 4.149 -5.900 4.716 1.00 0.00 N ATOM 553 CA TYR A 37 3.648 -6.196 6.073 1.00 0.00 C ATOM 554 C TYR A 37 2.980 -7.567 5.990 1.00 0.00 C ATOM 555 O TYR A 37 1.816 -7.682 5.653 1.00 0.00 O ATOM 556 CB TYR A 37 2.637 -5.119 6.477 1.00 0.00 C ATOM 557 CG TYR A 37 2.489 -5.093 7.977 1.00 0.00 C ATOM 558 CD1 TYR A 37 2.229 -6.275 8.681 1.00 0.00 C ATOM 559 CD2 TYR A 37 2.615 -3.881 8.666 1.00 0.00 C ATOM 560 CE1 TYR A 37 2.095 -6.244 10.075 1.00 0.00 C ATOM 561 CE2 TYR A 37 2.482 -3.849 10.058 1.00 0.00 C ATOM 562 CZ TYR A 37 2.221 -5.030 10.764 1.00 0.00 C ATOM 563 OH TYR A 37 2.091 -4.999 12.138 1.00 0.00 O ATOM 0 H TYR A 37 3.658 -5.154 4.224 1.00 0.00 H new ATOM 0 HA TYR A 37 4.444 -6.202 6.818 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.968 -4.144 6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.672 -5.320 6.011 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.132 -7.210 8.150 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.815 -2.970 8.122 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.895 -7.155 10.619 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.581 -2.913 10.588 1.00 0.00 H new ATOM 0 HH TYR A 37 2.208 -4.080 12.457 1.00 0.00 H new ATOM 573 N TRP A 38 3.736 -8.609 6.234 1.00 0.00 N ATOM 574 CA TRP A 38 3.190 -9.993 6.117 1.00 0.00 C ATOM 575 C TRP A 38 1.956 -10.174 7.010 1.00 0.00 C ATOM 576 O TRP A 38 1.190 -9.255 7.216 1.00 0.00 O ATOM 577 CB TRP A 38 4.291 -11.002 6.478 1.00 0.00 C ATOM 578 CG TRP A 38 4.571 -11.857 5.278 1.00 0.00 C ATOM 579 CD1 TRP A 38 5.440 -11.540 4.289 1.00 0.00 C ATOM 580 CD2 TRP A 38 3.992 -13.148 4.911 1.00 0.00 C ATOM 581 NE1 TRP A 38 5.434 -12.550 3.344 1.00 0.00 N ATOM 582 CE2 TRP A 38 4.560 -13.562 3.682 1.00 0.00 C ATOM 583 CE3 TRP A 38 3.042 -13.993 5.517 1.00 0.00 C ATOM 584 CZ2 TRP A 38 4.199 -14.767 3.077 1.00 0.00 C ATOM 585 CZ3 TRP A 38 2.678 -15.206 4.910 1.00 0.00 C ATOM 586 CH2 TRP A 38 3.254 -15.591 3.691 1.00 0.00 C ATOM 0 H TRP A 38 4.716 -8.557 6.511 1.00 0.00 H new ATOM 0 HA TRP A 38 2.871 -10.168 5.090 1.00 0.00 H new ATOM 0 HB2 TRP A 38 5.196 -10.479 6.789 1.00 0.00 H new ATOM 0 HB3 TRP A 38 3.976 -11.621 7.318 1.00 0.00 H new ATOM 0 HD1 TRP A 38 6.041 -10.643 4.245 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.006 -12.547 2.500 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.590 -13.706 6.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 4.648 -15.060 2.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.950 -15.846 5.385 1.00 0.00 H new ATOM 0 HH2 TRP A 38 2.967 -16.523 3.228 1.00 0.00 H new ATOM 597 N GLY A 39 1.723 -11.360 7.505 1.00 0.00 N ATOM 598 CA GLY A 39 0.510 -11.579 8.335 1.00 0.00 C ATOM 599 C GLY A 39 -0.699 -11.488 7.408 1.00 0.00 C ATOM 600 O GLY A 39 -1.674 -10.822 7.699 1.00 0.00 O ATOM 0 H GLY A 39 2.316 -12.179 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.548 -12.554 8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.445 -10.831 9.125 1.00 0.00 H new ATOM 604 N LYS A 40 -0.619 -12.144 6.276 1.00 0.00 N ATOM 605 CA LYS A 40 -1.728 -12.097 5.281 1.00 0.00 C ATOM 606 C LYS A 40 -2.303 -10.682 5.246 1.00 0.00 C ATOM 607 O LYS A 40 -3.473 -10.478 4.986 1.00 0.00 O ATOM 608 CB LYS A 40 -2.825 -13.118 5.626 1.00 0.00 C ATOM 609 CG LYS A 40 -3.143 -13.098 7.125 1.00 0.00 C ATOM 610 CD LYS A 40 -4.014 -14.309 7.496 1.00 0.00 C ATOM 611 CE LYS A 40 -5.003 -14.630 6.369 1.00 0.00 C ATOM 612 NZ LYS A 40 -5.950 -13.494 6.194 1.00 0.00 N ATOM 0 H LYS A 40 0.179 -12.716 5.999 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.337 -12.358 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.727 -12.894 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.502 -14.117 5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.218 -13.115 7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.662 -12.175 7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.380 -15.175 7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.559 -14.103 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.463 -14.813 5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.553 -15.542 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.926 -13.835 6.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.755 -12.766 6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.832 -13.086 5.245 1.00 0.00 H new ATOM 626 N VAL A 41 -1.478 -9.698 5.503 1.00 0.00 N ATOM 627 CA VAL A 41 -1.966 -8.294 5.479 1.00 0.00 C ATOM 628 C VAL A 41 -1.787 -7.714 4.071 1.00 0.00 C ATOM 629 O VAL A 41 -2.574 -7.986 3.188 1.00 0.00 O ATOM 630 CB VAL A 41 -1.187 -7.456 6.497 1.00 0.00 C ATOM 631 CG1 VAL A 41 -1.586 -5.984 6.367 1.00 0.00 C ATOM 632 CG2 VAL A 41 -1.512 -7.943 7.910 1.00 0.00 C ATOM 0 H VAL A 41 -0.489 -9.811 5.728 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.024 -8.273 5.742 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.119 -7.561 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.030 -5.391 7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.358 -5.633 5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.655 -5.879 6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.958 -7.348 8.636 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.581 -7.838 8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.228 -8.991 8.008 1.00 0.00 H new ATOM 642 N SER A 42 -0.768 -6.917 3.845 1.00 0.00 N ATOM 643 CA SER A 42 -0.582 -6.328 2.479 1.00 0.00 C ATOM 644 C SER A 42 0.779 -5.624 2.379 1.00 0.00 C ATOM 645 O SER A 42 1.605 -5.708 3.268 1.00 0.00 O ATOM 646 CB SER A 42 -1.687 -5.300 2.226 1.00 0.00 C ATOM 647 OG SER A 42 -2.918 -5.775 2.753 1.00 0.00 O ATOM 0 H SER A 42 -0.066 -6.652 4.536 1.00 0.00 H new ATOM 0 HA SER A 42 -0.626 -7.128 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.425 -4.349 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.786 -5.115 1.156 1.00 0.00 H new ATOM 0 HG SER A 42 -3.051 -6.708 2.483 1.00 0.00 H new ATOM 653 N CYS A 43 1.007 -4.914 1.299 1.00 0.00 N ATOM 654 CA CYS A 43 2.299 -4.180 1.127 1.00 0.00 C ATOM 655 C CYS A 43 2.277 -2.930 2.008 1.00 0.00 C ATOM 656 O CYS A 43 1.269 -2.593 2.593 1.00 0.00 O ATOM 657 CB CYS A 43 2.452 -3.737 -0.337 1.00 0.00 C ATOM 658 SG CYS A 43 3.778 -4.654 -1.177 1.00 0.00 S ATOM 0 H CYS A 43 0.349 -4.812 0.526 1.00 0.00 H new ATOM 0 HA CYS A 43 3.126 -4.833 1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.511 -3.891 -0.865 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.667 -2.669 -0.374 1.00 0.00 H new ATOM 663 N TYR A 44 3.372 -2.228 2.091 1.00 0.00 N ATOM 664 CA TYR A 44 3.397 -0.985 2.919 1.00 0.00 C ATOM 665 C TYR A 44 4.436 -0.017 2.347 1.00 0.00 C ATOM 666 O TYR A 44 5.579 -0.373 2.135 1.00 0.00 O ATOM 667 CB TYR A 44 3.748 -1.332 4.369 1.00 0.00 C ATOM 668 CG TYR A 44 3.530 -0.117 5.242 1.00 0.00 C ATOM 669 CD1 TYR A 44 4.479 0.913 5.265 1.00 0.00 C ATOM 670 CD2 TYR A 44 2.379 -0.022 6.031 1.00 0.00 C ATOM 671 CE1 TYR A 44 4.275 2.034 6.076 1.00 0.00 C ATOM 672 CE2 TYR A 44 2.174 1.099 6.840 1.00 0.00 C ATOM 673 CZ TYR A 44 3.123 2.129 6.863 1.00 0.00 C ATOM 674 OH TYR A 44 2.921 3.237 7.661 1.00 0.00 O ATOM 0 H TYR A 44 4.249 -2.458 1.624 1.00 0.00 H new ATOM 0 HA TYR A 44 2.414 -0.515 2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.129 -2.159 4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.785 -1.660 4.435 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.368 0.841 4.656 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.647 -0.816 6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.008 2.827 6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.284 1.171 7.447 1.00 0.00 H new ATOM 0 HH TYR A 44 2.072 3.144 8.141 1.00 0.00 H new ATOM 684 N CYS A 45 4.050 1.206 2.085 1.00 0.00 N ATOM 685 CA CYS A 45 5.025 2.182 1.516 1.00 0.00 C ATOM 686 C CYS A 45 5.427 3.210 2.574 1.00 0.00 C ATOM 687 O CYS A 45 4.887 3.259 3.664 1.00 0.00 O ATOM 688 CB CYS A 45 4.401 2.923 0.331 1.00 0.00 C ATOM 689 SG CYS A 45 4.034 1.760 -1.006 1.00 0.00 S ATOM 0 H CYS A 45 3.109 1.568 2.239 1.00 0.00 H new ATOM 0 HA CYS A 45 5.904 1.628 1.187 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.487 3.426 0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.083 3.695 -0.025 1.00 0.00 H new ATOM 694 N TYR A 46 6.368 4.042 2.230 1.00 0.00 N ATOM 695 CA TYR A 46 6.849 5.105 3.156 1.00 0.00 C ATOM 696 C TYR A 46 7.237 6.321 2.313 1.00 0.00 C ATOM 697 O TYR A 46 8.293 6.344 1.710 1.00 0.00 O ATOM 698 CB TYR A 46 8.097 4.623 3.896 1.00 0.00 C ATOM 699 CG TYR A 46 7.746 3.600 4.950 1.00 0.00 C ATOM 700 CD1 TYR A 46 7.689 2.248 4.614 1.00 0.00 C ATOM 701 CD2 TYR A 46 7.501 4.003 6.265 1.00 0.00 C ATOM 702 CE1 TYR A 46 7.385 1.294 5.592 1.00 0.00 C ATOM 703 CE2 TYR A 46 7.193 3.054 7.245 1.00 0.00 C ATOM 704 CZ TYR A 46 7.134 1.698 6.909 1.00 0.00 C ATOM 705 OH TYR A 46 6.832 0.760 7.875 1.00 0.00 O ATOM 0 H TYR A 46 6.836 4.030 1.324 1.00 0.00 H new ATOM 0 HA TYR A 46 6.068 5.350 3.876 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.800 4.190 3.185 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.597 5.472 4.362 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.880 1.936 3.598 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.550 5.050 6.525 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.344 0.247 5.331 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.001 3.368 8.260 1.00 0.00 H new ATOM 0 HH TYR A 46 6.661 -0.106 7.448 1.00 0.00 H new ATOM 715 N GLY A 47 6.402 7.323 2.258 1.00 0.00 N ATOM 716 CA GLY A 47 6.737 8.531 1.441 1.00 0.00 C ATOM 717 C GLY A 47 5.587 8.849 0.480 1.00 0.00 C ATOM 718 O GLY A 47 5.766 9.522 -0.516 1.00 0.00 O ATOM 0 H GLY A 47 5.504 7.360 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.921 9.383 2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.654 8.357 0.879 1.00 0.00 H new ATOM 722 N LEU A 48 4.407 8.374 0.771 1.00 0.00 N ATOM 723 CA LEU A 48 3.245 8.647 -0.120 1.00 0.00 C ATOM 724 C LEU A 48 2.689 10.043 0.173 1.00 0.00 C ATOM 725 O LEU A 48 2.920 10.590 1.229 1.00 0.00 O ATOM 726 CB LEU A 48 2.157 7.609 0.157 1.00 0.00 C ATOM 727 CG LEU A 48 2.699 6.212 -0.135 1.00 0.00 C ATOM 728 CD1 LEU A 48 1.552 5.201 -0.076 1.00 0.00 C ATOM 729 CD2 LEU A 48 3.330 6.194 -1.529 1.00 0.00 C ATOM 0 H LEU A 48 4.197 7.806 1.592 1.00 0.00 H new ATOM 0 HA LEU A 48 3.561 8.594 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.833 7.675 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.283 7.808 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 48 3.453 5.948 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.936 4.202 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.103 5.217 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.798 5.462 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.718 5.197 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.577 6.455 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.145 6.916 -1.569 1.00 0.00 H new ATOM 741 N PRO A 49 1.968 10.582 -0.774 1.00 0.00 N ATOM 742 CA PRO A 49 1.372 11.918 -0.628 1.00 0.00 C ATOM 743 C PRO A 49 0.474 11.940 0.614 1.00 0.00 C ATOM 744 O PRO A 49 -0.056 10.929 1.024 1.00 0.00 O ATOM 745 CB PRO A 49 0.550 12.122 -1.909 1.00 0.00 C ATOM 746 CG PRO A 49 0.789 10.890 -2.822 1.00 0.00 C ATOM 747 CD PRO A 49 1.694 9.912 -2.057 1.00 0.00 C ATOM 0 HA PRO A 49 2.113 12.707 -0.500 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.509 12.223 -1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.852 13.038 -2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.158 10.414 -3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.258 11.193 -3.758 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.201 8.952 -1.905 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.615 9.714 -2.605 1.00 0.00 H new ATOM 755 N ASP A 50 0.309 13.078 1.225 1.00 0.00 N ATOM 756 CA ASP A 50 -0.541 13.157 2.438 1.00 0.00 C ATOM 757 C ASP A 50 -1.958 12.695 2.113 1.00 0.00 C ATOM 758 O ASP A 50 -2.530 11.863 2.789 1.00 0.00 O ATOM 759 CB ASP A 50 -0.572 14.602 2.921 1.00 0.00 C ATOM 760 CG ASP A 50 0.325 14.754 4.152 1.00 0.00 C ATOM 761 OD1 ASP A 50 1.167 13.896 4.358 1.00 0.00 O ATOM 762 OD2 ASP A 50 0.154 15.728 4.867 1.00 0.00 O ATOM 0 H ASP A 50 0.730 13.960 0.933 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.131 12.512 3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.233 15.268 2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.594 14.892 3.166 1.00 0.00 H new ATOM 767 N ASN A 51 -2.524 13.245 1.087 1.00 0.00 N ATOM 768 CA ASN A 51 -3.896 12.888 0.686 1.00 0.00 C ATOM 769 C ASN A 51 -3.896 11.593 -0.133 1.00 0.00 C ATOM 770 O ASN A 51 -4.876 11.249 -0.761 1.00 0.00 O ATOM 771 CB ASN A 51 -4.448 14.023 -0.165 1.00 0.00 C ATOM 772 CG ASN A 51 -3.643 14.126 -1.462 1.00 0.00 C ATOM 773 OD1 ASN A 51 -2.781 13.310 -1.723 1.00 0.00 O ATOM 774 ND2 ASN A 51 -3.892 15.102 -2.291 1.00 0.00 N ATOM 0 H ASN A 51 -2.078 13.946 0.495 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.510 12.734 1.573 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.499 13.845 -0.390 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.395 14.963 0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.363 15.181 -3.159 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.616 15.786 -2.071 1.00 0.00 H new ATOM 781 N SER A 52 -2.807 10.876 -0.139 1.00 0.00 N ATOM 782 CA SER A 52 -2.759 9.611 -0.926 1.00 0.00 C ATOM 783 C SER A 52 -3.900 8.684 -0.476 1.00 0.00 C ATOM 784 O SER A 52 -4.075 8.462 0.706 1.00 0.00 O ATOM 785 CB SER A 52 -1.419 8.916 -0.692 1.00 0.00 C ATOM 786 OG SER A 52 -1.618 7.509 -0.672 1.00 0.00 O ATOM 0 H SER A 52 -1.951 11.109 0.365 1.00 0.00 H new ATOM 0 HA SER A 52 -2.871 9.839 -1.986 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.715 9.184 -1.479 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.984 9.247 0.251 1.00 0.00 H new ATOM 0 HG SER A 52 -0.760 7.059 -0.524 1.00 0.00 H new ATOM 792 N PRO A 53 -4.639 8.171 -1.436 1.00 0.00 N ATOM 793 CA PRO A 53 -5.774 7.264 -1.163 1.00 0.00 C ATOM 794 C PRO A 53 -5.290 5.972 -0.498 1.00 0.00 C ATOM 795 O PRO A 53 -4.662 5.140 -1.123 1.00 0.00 O ATOM 796 CB PRO A 53 -6.375 6.960 -2.543 1.00 0.00 C ATOM 797 CG PRO A 53 -5.495 7.663 -3.607 1.00 0.00 C ATOM 798 CD PRO A 53 -4.402 8.447 -2.865 1.00 0.00 C ATOM 0 HA PRO A 53 -6.499 7.712 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.402 5.885 -2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.403 7.319 -2.600 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.050 6.930 -4.280 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.098 8.334 -4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.407 8.122 -3.170 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.468 9.514 -3.077 1.00 0.00 H new ATOM 806 N THR A 54 -5.579 5.797 0.763 1.00 0.00 N ATOM 807 CA THR A 54 -5.135 4.558 1.458 1.00 0.00 C ATOM 808 C THR A 54 -6.343 3.812 2.031 1.00 0.00 C ATOM 809 O THR A 54 -7.466 4.274 1.976 1.00 0.00 O ATOM 810 CB THR A 54 -4.177 4.927 2.588 1.00 0.00 C ATOM 811 OG1 THR A 54 -4.856 5.731 3.544 1.00 0.00 O ATOM 812 CG2 THR A 54 -2.997 5.700 2.006 1.00 0.00 C ATOM 0 H THR A 54 -6.102 6.457 1.339 1.00 0.00 H new ATOM 0 HA THR A 54 -4.627 3.910 0.743 1.00 0.00 H new ATOM 0 HB THR A 54 -3.816 4.023 3.077 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.241 5.966 4.270 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.307 5.968 2.806 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.480 5.079 1.274 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.359 6.606 1.521 1.00 0.00 H new ATOM 820 N LYS A 55 -6.108 2.648 2.566 1.00 0.00 N ATOM 821 CA LYS A 55 -7.208 1.828 3.135 1.00 0.00 C ATOM 822 C LYS A 55 -8.074 2.665 4.078 1.00 0.00 C ATOM 823 O LYS A 55 -7.586 3.491 4.823 1.00 0.00 O ATOM 824 CB LYS A 55 -6.600 0.656 3.907 1.00 0.00 C ATOM 825 CG LYS A 55 -7.697 -0.340 4.279 1.00 0.00 C ATOM 826 CD LYS A 55 -7.898 -1.334 3.134 1.00 0.00 C ATOM 827 CE LYS A 55 -9.287 -1.134 2.526 1.00 0.00 C ATOM 828 NZ LYS A 55 -9.622 -2.295 1.651 1.00 0.00 N ATOM 0 H LYS A 55 -5.183 2.224 2.633 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.837 1.462 2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.839 0.164 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.104 1.019 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.426 -0.871 5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.628 0.189 4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.131 -1.189 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.793 -2.355 3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.031 -1.035 3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.312 -0.210 1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.060 -1.952 0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.754 -2.820 1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.286 -2.923 2.147 1.00 0.00 H new ATOM 842 N THR A 56 -9.359 2.437 4.058 1.00 0.00 N ATOM 843 CA THR A 56 -10.271 3.195 4.958 1.00 0.00 C ATOM 844 C THR A 56 -10.544 2.352 6.198 1.00 0.00 C ATOM 845 O THR A 56 -9.955 2.545 7.244 1.00 0.00 O ATOM 846 CB THR A 56 -11.586 3.484 4.228 1.00 0.00 C ATOM 847 OG1 THR A 56 -11.343 4.391 3.161 1.00 0.00 O ATOM 848 CG2 THR A 56 -12.593 4.096 5.205 1.00 0.00 C ATOM 0 H THR A 56 -9.817 1.755 3.454 1.00 0.00 H new ATOM 0 HA THR A 56 -9.811 4.140 5.247 1.00 0.00 H new ATOM 0 HB THR A 56 -11.993 2.555 3.829 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.183 4.576 2.691 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.528 4.301 4.683 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.778 3.398 6.021 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.191 5.026 5.607 1.00 0.00 H new ATOM 856 N SER A 57 -11.423 1.405 6.078 1.00 0.00 N ATOM 857 CA SER A 57 -11.737 0.522 7.226 1.00 0.00 C ATOM 858 C SER A 57 -11.286 -0.896 6.899 1.00 0.00 C ATOM 859 O SER A 57 -11.783 -1.868 7.431 1.00 0.00 O ATOM 860 CB SER A 57 -13.237 0.539 7.517 1.00 0.00 C ATOM 861 OG SER A 57 -13.933 1.013 6.373 1.00 0.00 O ATOM 0 H SER A 57 -11.943 1.203 5.224 1.00 0.00 H new ATOM 0 HA SER A 57 -11.212 0.881 8.111 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.580 -0.463 7.776 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.445 1.179 8.374 1.00 0.00 H new ATOM 0 HG SER A 57 -14.896 1.023 6.557 1.00 0.00 H new ATOM 867 N GLY A 58 -10.333 -1.002 6.028 1.00 0.00 N ATOM 868 CA GLY A 58 -9.796 -2.339 5.636 1.00 0.00 C ATOM 869 C GLY A 58 -10.793 -3.095 4.746 1.00 0.00 C ATOM 870 O GLY A 58 -10.489 -4.152 4.232 1.00 0.00 O ATOM 0 H GLY A 58 -9.892 -0.211 5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.852 -2.214 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.584 -2.926 6.530 1.00 0.00 H new ATOM 874 N LYS A 59 -11.979 -2.579 4.557 1.00 0.00 N ATOM 875 CA LYS A 59 -12.966 -3.304 3.704 1.00 0.00 C ATOM 876 C LYS A 59 -12.902 -2.790 2.264 1.00 0.00 C ATOM 877 O LYS A 59 -12.996 -1.606 2.009 1.00 0.00 O ATOM 878 CB LYS A 59 -14.377 -3.093 4.258 1.00 0.00 C ATOM 879 CG LYS A 59 -14.870 -4.396 4.893 1.00 0.00 C ATOM 880 CD LYS A 59 -16.372 -4.301 5.173 1.00 0.00 C ATOM 881 CE LYS A 59 -16.594 -3.744 6.581 1.00 0.00 C ATOM 882 NZ LYS A 59 -18.051 -3.524 6.805 1.00 0.00 N ATOM 0 H LYS A 59 -12.305 -1.697 4.952 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.724 -4.367 3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.374 -2.293 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.052 -2.786 3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.667 -5.235 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.329 -4.587 5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -16.850 -3.656 4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -16.833 -5.285 5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -16.202 -4.438 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -16.051 -2.807 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -18.202 -3.145 7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -18.412 -2.846 6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -18.558 -4.427 6.706 1.00 0.00 H new ATOM 896 N CYS A 60 -12.756 -3.680 1.318 1.00 0.00 N ATOM 897 CA CYS A 60 -12.701 -3.257 -0.112 1.00 0.00 C ATOM 898 C CYS A 60 -14.012 -3.654 -0.791 1.00 0.00 C ATOM 899 O CYS A 60 -14.392 -4.807 -0.795 1.00 0.00 O ATOM 900 CB CYS A 60 -11.533 -3.954 -0.811 1.00 0.00 C ATOM 901 SG CYS A 60 -11.186 -3.122 -2.381 1.00 0.00 S ATOM 0 H CYS A 60 -12.672 -4.684 1.475 1.00 0.00 H new ATOM 0 HA CYS A 60 -12.560 -2.178 -0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.649 -3.934 -0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -11.774 -5.002 -0.988 1.00 0.00 H new ATOM 906 N ASN A 61 -14.714 -2.710 -1.354 1.00 0.00 N ATOM 907 CA ASN A 61 -16.008 -3.047 -2.013 1.00 0.00 C ATOM 908 C ASN A 61 -16.151 -2.272 -3.331 1.00 0.00 C ATOM 909 O ASN A 61 -15.619 -1.191 -3.475 1.00 0.00 O ATOM 910 CB ASN A 61 -17.157 -2.665 -1.077 1.00 0.00 C ATOM 911 CG ASN A 61 -18.120 -3.844 -0.934 1.00 0.00 C ATOM 912 OD1 ASN A 61 -17.808 -4.952 -1.320 1.00 0.00 O ATOM 913 ND2 ASN A 61 -19.290 -3.648 -0.390 1.00 0.00 N ATOM 0 H ASN A 61 -14.450 -1.725 -1.387 1.00 0.00 H new ATOM 0 HA ASN A 61 -16.034 -4.116 -2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.764 -2.383 -0.100 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -17.686 -1.797 -1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -19.942 -4.426 -0.289 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -19.552 -2.717 -0.066 1.00 0.00 H new ATOM 920 N PRO A 62 -16.871 -2.860 -4.255 1.00 0.00 N ATOM 921 CA PRO A 62 -17.109 -2.252 -5.577 1.00 0.00 C ATOM 922 C PRO A 62 -17.915 -0.957 -5.424 1.00 0.00 C ATOM 923 O PRO A 62 -19.076 -0.977 -5.064 1.00 0.00 O ATOM 924 CB PRO A 62 -17.923 -3.300 -6.351 1.00 0.00 C ATOM 925 CG PRO A 62 -18.198 -4.485 -5.390 1.00 0.00 C ATOM 926 CD PRO A 62 -17.498 -4.178 -4.057 1.00 0.00 C ATOM 0 HA PRO A 62 -16.182 -1.993 -6.088 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -18.860 -2.871 -6.707 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -17.374 -3.639 -7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -19.270 -4.614 -5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -17.822 -5.416 -5.814 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -18.210 -4.157 -3.232 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -16.754 -4.938 -3.817 1.00 0.00 H new ATOM 934 N ALA A 63 -17.311 0.166 -5.696 1.00 0.00 N ATOM 935 CA ALA A 63 -18.047 1.457 -5.565 1.00 0.00 C ATOM 936 C ALA A 63 -18.860 1.455 -4.267 1.00 0.00 C ATOM 937 O ALA A 63 -20.026 1.097 -4.322 1.00 0.00 O ATOM 938 CB ALA A 63 -18.995 1.625 -6.754 1.00 0.00 C ATOM 939 OXT ALA A 63 -18.304 1.811 -3.241 1.00 0.00 O ATOM 0 H ALA A 63 -16.342 0.247 -6.003 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.333 2.280 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -19.534 2.568 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -18.420 1.626 -7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -19.708 0.800 -6.771 1.00 0.00 H new TER 945 ALA A 63