USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 842 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 Single : 1 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot 130:sc= 0.844 USER MOD Single : 1 9 ASN : amide:sc= -0.713 K(o=-0.71,f=-0.041) USER MOD Single : 1 10 GLN : amide:sc= -7.74! C(o=-7.7!,f=-5.8!) USER MOD Single : 1 16 LYS NZ :NH3+ 153:sc= 0.933 (180deg=0.263) USER MOD Single : 1 23 TYR OH : rot 70:sc= -2.53! USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 27 THR OG1 : rot 61:sc= 0.149 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.66 K(o=-2.7,f=-0.39) USER MOD Single : 1 33 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1.8!) USER MOD Single : 1 40 SER OG : rot 180:sc= 0 USER MOD Single : 1 50 LYS NZ :NH3+ -147:sc= -0.793 (180deg=-1.4) USER MOD Single : 1 53 GLN : amide:sc= -7.69! C(o=-7.7!,f=-14!) USER MOD Single : 1 58 THR OG1 : rot -150:sc= -1.24 USER MOD Single : 2 1 GLU N :NH3+ 167:sc= 0 (180deg=-0.00591) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot -78:sc= 1.14 USER MOD Single : 2 9 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.85) USER MOD Single : 2 10 GLN : amide:sc= -11.7! C(o=-12!,f=-15!) USER MOD Single : 2 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 23 TYR OH : rot -126:sc= 1.28 USER MOD Single : 2 25 HIS : no HD1:sc= -1.96 K(o=-2,f=-1.1) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -1.33 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.17) USER MOD Single : 2 33 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.7!) USER MOD Single : 2 40 SER OG : rot 110:sc= 0.257 USER MOD Single : 2 50 LYS NZ :NH3+ -158:sc= -6.62! (180deg=-7.5!) USER MOD Single : 2 53 GLN : amide:sc= -15.1! C(o=-15!,f=-22!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -2.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -12.064 -13.238 -3.559 1.00 0.00 N ATOM 2 CA GLU 1 1 -13.381 -12.795 -3.981 1.00 0.00 C ATOM 3 C GLU 1 1 -13.877 -11.665 -3.075 1.00 0.00 C ATOM 4 O GLU 1 1 -13.901 -10.504 -3.480 1.00 0.00 O ATOM 5 CB GLU 1 1 -14.373 -13.959 -3.999 1.00 0.00 C ATOM 6 CG GLU 1 1 -14.170 -14.834 -5.237 1.00 0.00 C ATOM 7 CD GLU 1 1 -15.331 -14.670 -6.221 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -16.403 -15.246 -5.935 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -15.119 -13.973 -7.236 1.00 0.00 O ATOM 0 H1 GLU 1 1 -11.739 -14.005 -4.182 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -11.396 -12.442 -3.613 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -12.112 -13.585 -2.580 1.00 0.00 H new ATOM 0 HA GLU 1 1 -13.304 -12.412 -4.998 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -14.248 -14.561 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -15.392 -13.573 -3.985 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -13.233 -14.566 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -14.086 -15.879 -4.938 1.00 0.00 H new ATOM 16 N GLU 1 2 -14.261 -12.046 -1.866 1.00 0.00 N ATOM 17 CA GLU 1 2 -14.755 -11.081 -0.898 1.00 0.00 C ATOM 18 C GLU 1 2 -13.591 -10.473 -0.113 1.00 0.00 C ATOM 19 O GLU 1 2 -12.672 -9.903 -0.699 1.00 0.00 O ATOM 20 CB GLU 1 2 -15.776 -11.721 0.043 1.00 0.00 C ATOM 21 CG GLU 1 2 -16.960 -12.292 -0.740 1.00 0.00 C ATOM 22 CD GLU 1 2 -16.743 -13.773 -1.059 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -15.898 -14.384 -0.370 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -17.427 -14.260 -1.986 1.00 0.00 O ATOM 0 H GLU 1 2 -14.240 -13.010 -1.534 1.00 0.00 H new ATOM 0 HA GLU 1 2 -15.261 -10.281 -1.438 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -15.299 -12.515 0.618 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -16.132 -10.979 0.758 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -17.876 -12.171 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -17.092 -11.732 -1.666 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.667 -10.616 1.202 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.631 -10.089 2.073 1.00 0.00 C ATOM 33 C TYR 1 3 -11.555 -11.143 2.346 1.00 0.00 C ATOM 34 O TYR 1 3 -11.472 -11.679 3.450 1.00 0.00 O ATOM 35 CB TYR 1 3 -13.327 -9.736 3.390 1.00 0.00 C ATOM 36 CG TYR 1 3 -14.426 -10.720 3.796 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -14.113 -11.828 4.558 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -15.730 -10.500 3.401 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -15.147 -12.754 4.940 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -16.764 -11.427 3.784 1.00 0.00 C ATOM 41 CZ TYR 1 3 -16.422 -12.508 4.534 1.00 0.00 C ATOM 42 OH TYR 1 3 -17.398 -13.383 4.895 1.00 0.00 O ATOM 0 H TYR 1 3 -14.430 -11.089 1.685 1.00 0.00 H new ATOM 0 HA TYR 1 3 -12.144 -9.229 1.613 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -12.581 -9.693 4.183 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -13.759 -8.739 3.305 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -13.093 -12.000 4.867 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -15.975 -9.633 2.805 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -14.916 -13.625 5.536 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -17.788 -11.267 3.482 1.00 0.00 H new ATOM 0 HH TYR 1 3 -18.258 -13.080 4.536 1.00 0.00 H new ATOM 52 N VAL 1 4 -10.758 -11.407 1.322 1.00 0.00 N ATOM 53 CA VAL 1 4 -9.690 -12.385 1.436 1.00 0.00 C ATOM 54 C VAL 1 4 -8.373 -11.754 0.981 1.00 0.00 C ATOM 55 O VAL 1 4 -7.425 -11.658 1.759 1.00 0.00 O ATOM 56 CB VAL 1 4 -10.051 -13.648 0.650 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -8.903 -14.658 0.678 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -11.345 -14.272 1.178 1.00 0.00 C ATOM 0 H VAL 1 4 -10.830 -10.960 0.408 1.00 0.00 H new ATOM 0 HA VAL 1 4 -9.561 -12.689 2.475 1.00 0.00 H new ATOM 0 HB VAL 1 4 -10.218 -13.360 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -9.186 -15.546 0.112 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -8.014 -14.211 0.232 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -8.690 -14.938 1.710 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -11.578 -15.168 0.602 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -11.219 -14.538 2.227 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -12.161 -13.555 1.081 1.00 0.00 H new ATOM 68 N GLY 1 5 -8.356 -11.339 -0.277 1.00 0.00 N ATOM 69 CA GLY 1 5 -7.171 -10.719 -0.844 1.00 0.00 C ATOM 70 C GLY 1 5 -6.900 -9.360 -0.197 1.00 0.00 C ATOM 71 O GLY 1 5 -5.971 -8.655 -0.590 1.00 0.00 O ATOM 0 H GLY 1 5 -9.144 -11.420 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -6.310 -11.372 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -7.301 -10.594 -1.919 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.728 -9.031 0.784 1.00 0.00 N ATOM 76 CA LEU 1 6 -7.589 -7.769 1.489 1.00 0.00 C ATOM 77 C LEU 1 6 -8.072 -7.939 2.931 1.00 0.00 C ATOM 78 O LEU 1 6 -8.549 -6.988 3.546 1.00 0.00 O ATOM 79 CB LEU 1 6 -8.304 -6.649 0.730 1.00 0.00 C ATOM 80 CG LEU 1 6 -9.681 -6.997 0.162 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -9.573 -8.074 -0.920 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -10.648 -7.402 1.278 1.00 0.00 C ATOM 0 H LEU 1 6 -8.498 -9.617 1.107 1.00 0.00 H new ATOM 0 HA LEU 1 6 -6.541 -7.473 1.536 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -8.414 -5.796 1.400 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -7.664 -6.328 -0.092 1.00 0.00 H new ATOM 0 HG LEU 1 6 -10.090 -6.104 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -10.566 -8.302 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -8.942 -7.712 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -9.134 -8.976 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -11.620 -7.644 0.847 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -10.255 -8.274 1.801 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -10.759 -6.576 1.981 1.00 0.00 H new ATOM 94 N SER 1 7 -7.931 -9.160 3.428 1.00 0.00 N ATOM 95 CA SER 1 7 -8.345 -9.467 4.786 1.00 0.00 C ATOM 96 C SER 1 7 -7.123 -9.547 5.702 1.00 0.00 C ATOM 97 O SER 1 7 -5.992 -9.647 5.228 1.00 0.00 O ATOM 98 CB SER 1 7 -9.134 -10.777 4.838 1.00 0.00 C ATOM 99 OG SER 1 7 -10.294 -10.670 5.657 1.00 0.00 O ATOM 0 H SER 1 7 -7.536 -9.948 2.914 1.00 0.00 H new ATOM 0 HA SER 1 7 -8.998 -8.666 5.133 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -9.428 -11.063 3.828 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -8.493 -11.571 5.220 1.00 0.00 H new ATOM 0 HG SER 1 7 -11.074 -10.998 5.163 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.391 -9.499 6.999 1.00 0.00 N ATOM 106 CA ALA 1 8 -6.326 -9.566 7.986 1.00 0.00 C ATOM 107 C ALA 1 8 -5.683 -10.953 7.945 1.00 0.00 C ATOM 108 O ALA 1 8 -4.692 -11.202 8.628 1.00 0.00 O ATOM 109 CB ALA 1 8 -6.888 -9.225 9.367 1.00 0.00 C ATOM 0 H ALA 1 8 -8.330 -9.415 7.389 1.00 0.00 H new ATOM 0 HA ALA 1 8 -5.548 -8.836 7.761 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -6.090 -9.275 10.107 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -7.306 -8.218 9.351 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -7.670 -9.938 9.628 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.274 -11.820 7.135 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.771 -13.176 6.995 1.00 0.00 C ATOM 117 C ASN 1 9 -4.856 -13.252 5.772 1.00 0.00 C ATOM 118 O ASN 1 9 -4.208 -14.272 5.539 1.00 0.00 O ATOM 119 CB ASN 1 9 -6.917 -14.170 6.790 1.00 0.00 C ATOM 120 CG ASN 1 9 -6.850 -15.302 7.819 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -7.696 -15.434 8.689 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -5.802 -16.106 7.670 1.00 0.00 N ATOM 0 H ASN 1 9 -7.096 -11.609 6.569 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.230 -13.431 7.907 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.872 -13.652 6.875 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -6.868 -14.585 5.783 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -5.668 -16.892 8.306 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -5.132 -15.937 6.919 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.831 -12.161 5.021 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.005 -12.091 3.828 1.00 0.00 C ATOM 131 C GLN 1 10 -2.524 -12.180 4.200 1.00 0.00 C ATOM 132 O GLN 1 10 -1.753 -12.869 3.535 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.297 -10.815 3.034 1.00 0.00 C ATOM 134 CG GLN 1 10 -4.702 -11.145 1.596 1.00 0.00 C ATOM 135 CD GLN 1 10 -3.509 -11.016 0.646 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -2.985 -11.990 0.130 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -3.109 -9.764 0.447 1.00 0.00 N ATOM 0 H GLN 1 10 -5.370 -11.317 5.216 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.249 -12.941 3.190 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.095 -10.254 3.521 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -3.415 -10.175 3.029 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -5.100 -12.159 1.550 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -5.500 -10.475 1.276 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -3.592 -8.994 0.910 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -2.319 -9.573 -0.169 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.172 -11.472 5.264 1.00 0.00 N ATOM 147 CA CYS 1 11 -0.797 -11.463 5.733 1.00 0.00 C ATOM 148 C CYS 1 11 -0.518 -12.795 6.433 1.00 0.00 C ATOM 149 O CYS 1 11 0.585 -13.022 6.927 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.520 -10.269 6.650 1.00 0.00 C ATOM 151 SG CYS 1 11 1.211 -10.127 7.225 1.00 0.00 S ATOM 0 H CYS 1 11 -2.815 -10.901 5.814 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.122 -11.351 4.884 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -0.789 -9.354 6.122 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.172 -10.338 7.520 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.537 -13.642 6.451 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.416 -14.945 7.081 1.00 0.00 C ATOM 158 C ALA 1 12 -1.369 -16.026 5.999 1.00 0.00 C ATOM 159 O ALA 1 12 -1.406 -17.218 6.306 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.574 -15.149 8.059 1.00 0.00 C ATOM 0 H ALA 1 12 -2.450 -13.451 6.039 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.491 -15.010 7.654 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -2.483 -16.127 8.532 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.546 -14.372 8.823 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.520 -15.093 7.520 1.00 0.00 H new ATOM 166 N VAL 1 13 -1.287 -15.574 4.757 1.00 0.00 N ATOM 167 CA VAL 1 13 -1.235 -16.488 3.629 1.00 0.00 C ATOM 168 C VAL 1 13 -0.323 -17.666 3.976 1.00 0.00 C ATOM 169 O VAL 1 13 0.480 -17.583 4.903 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.792 -15.740 2.370 1.00 0.00 C ATOM 171 CG1 VAL 1 13 0.654 -16.085 2.007 1.00 0.00 C ATOM 172 CG2 VAL 1 13 -1.735 -16.029 1.200 1.00 0.00 C ATOM 0 H VAL 1 13 -1.255 -14.586 4.507 1.00 0.00 H new ATOM 0 HA VAL 1 13 -2.225 -16.893 3.419 1.00 0.00 H new ATOM 0 HB VAL 1 13 -0.838 -14.672 2.582 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 0.944 -15.540 1.109 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 1.312 -15.805 2.829 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 0.738 -17.156 1.824 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 -1.397 -15.485 0.318 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 -1.736 -17.098 0.989 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 -2.745 -15.710 1.459 1.00 0.00 H new ATOM 182 N PRO 1 14 -0.483 -18.767 3.192 1.00 0.00 N ATOM 183 CA PRO 1 14 0.315 -19.961 3.407 1.00 0.00 C ATOM 184 C PRO 1 14 1.745 -19.764 2.898 1.00 0.00 C ATOM 185 O PRO 1 14 2.404 -20.722 2.498 1.00 0.00 O ATOM 186 CB PRO 1 14 -0.427 -21.068 2.676 1.00 0.00 C ATOM 187 CG PRO 1 14 -1.357 -20.369 1.696 1.00 0.00 C ATOM 188 CD PRO 1 14 -1.425 -18.901 2.085 1.00 0.00 C ATOM 0 HA PRO 1 14 0.429 -20.206 4.463 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 0.268 -21.726 2.154 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -0.989 -21.688 3.374 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 -0.988 -20.477 0.676 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -2.350 -20.818 1.725 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -1.149 -18.257 1.250 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -2.433 -18.618 2.387 1.00 0.00 H new ATOM 196 N ALA 1 15 2.183 -18.513 2.929 1.00 0.00 N ATOM 197 CA ALA 1 15 3.522 -18.178 2.477 1.00 0.00 C ATOM 198 C ALA 1 15 3.766 -18.810 1.105 1.00 0.00 C ATOM 199 O ALA 1 15 4.467 -19.814 0.996 1.00 0.00 O ATOM 200 CB ALA 1 15 4.543 -18.635 3.520 1.00 0.00 C ATOM 0 H ALA 1 15 1.634 -17.720 3.260 1.00 0.00 H new ATOM 0 HA ALA 1 15 3.631 -17.099 2.367 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 5.548 -18.383 3.180 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.344 -18.134 4.468 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 4.466 -19.714 3.657 1.00 0.00 H new ATOM 206 N LYS 1 16 3.172 -18.196 0.092 1.00 0.00 N ATOM 207 CA LYS 1 16 3.315 -18.687 -1.268 1.00 0.00 C ATOM 208 C LYS 1 16 2.199 -18.101 -2.137 1.00 0.00 C ATOM 209 O LYS 1 16 1.534 -18.828 -2.873 1.00 0.00 O ATOM 210 CB LYS 1 16 3.367 -20.216 -1.284 1.00 0.00 C ATOM 211 CG LYS 1 16 2.381 -20.808 -0.276 1.00 0.00 C ATOM 212 CD LYS 1 16 1.436 -21.803 -0.954 1.00 0.00 C ATOM 213 CE LYS 1 16 0.193 -21.095 -1.497 1.00 0.00 C ATOM 214 NZ LYS 1 16 0.260 -20.989 -2.972 1.00 0.00 N ATOM 0 H LYS 1 16 2.591 -17.363 0.186 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.261 -18.355 -1.695 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 3.133 -20.581 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 4.377 -20.552 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 2.928 -21.307 0.523 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 1.802 -20.008 0.185 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 1.956 -22.308 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 1.139 -22.572 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 -0.702 -21.645 -1.206 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 0.113 -20.100 -1.058 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 -0.704 -20.948 -3.361 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 0.776 -20.125 -3.235 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 0.754 -21.819 -3.358 1.00 0.00 H new ATOM 228 N ASP 1 17 2.030 -16.792 -2.023 1.00 0.00 N ATOM 229 CA ASP 1 17 1.007 -16.101 -2.789 1.00 0.00 C ATOM 230 C ASP 1 17 1.315 -14.602 -2.806 1.00 0.00 C ATOM 231 O ASP 1 17 0.931 -13.896 -3.738 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.375 -16.293 -2.162 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.553 -15.945 -3.073 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.285 -15.392 -4.162 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.695 -16.242 -2.663 1.00 0.00 O ATOM 0 H ASP 1 17 2.584 -16.192 -1.412 1.00 0.00 H new ATOM 0 HA ASP 1 17 1.005 -16.513 -3.798 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.473 -17.332 -1.847 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.437 -15.680 -1.263 1.00 0.00 H new ATOM 240 N ARG 1 18 2.005 -14.160 -1.765 1.00 0.00 N ATOM 241 CA ARG 1 18 2.368 -12.758 -1.649 1.00 0.00 C ATOM 242 C ARG 1 18 2.976 -12.256 -2.959 1.00 0.00 C ATOM 243 O ARG 1 18 3.142 -13.026 -3.905 1.00 0.00 O ATOM 244 CB ARG 1 18 3.371 -12.541 -0.514 1.00 0.00 C ATOM 245 CG ARG 1 18 2.820 -13.069 0.814 1.00 0.00 C ATOM 246 CD ARG 1 18 3.921 -13.742 1.635 1.00 0.00 C ATOM 247 NE ARG 1 18 3.366 -14.242 2.912 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.085 -14.409 4.031 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.393 -14.115 4.035 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.497 -14.867 5.144 1.00 0.00 N ATOM 0 H ARG 1 18 2.322 -14.748 -0.994 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.459 -12.198 -1.429 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.307 -13.046 -0.750 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.597 -11.479 -0.421 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.387 -12.247 1.384 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.018 -13.781 0.622 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.355 -14.567 1.070 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.725 -13.033 1.831 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.373 -14.474 2.943 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 5.840 -13.765 3.187 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 5.942 -14.241 4.886 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.501 -15.089 5.140 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.045 -14.994 5.995 1.00 0.00 H new ATOM 264 N VAL 1 19 3.293 -10.970 -2.975 1.00 0.00 N ATOM 265 CA VAL 1 19 3.879 -10.357 -4.155 1.00 0.00 C ATOM 266 C VAL 1 19 5.333 -9.983 -3.860 1.00 0.00 C ATOM 267 O VAL 1 19 5.903 -9.120 -4.527 1.00 0.00 O ATOM 268 CB VAL 1 19 3.032 -9.162 -4.599 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.317 -8.801 -6.058 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.542 -9.435 -4.381 1.00 0.00 C ATOM 0 H VAL 1 19 3.155 -10.335 -2.189 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.886 -11.060 -4.988 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.309 -8.307 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.702 -7.949 -6.349 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.370 -8.544 -6.170 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.082 -9.653 -6.696 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.963 -8.570 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.244 -10.309 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.357 -9.620 -3.323 1.00 0.00 H new ATOM 280 N ASP 1 20 5.892 -10.651 -2.861 1.00 0.00 N ATOM 281 CA ASP 1 20 7.268 -10.399 -2.470 1.00 0.00 C ATOM 282 C ASP 1 20 7.616 -8.937 -2.758 1.00 0.00 C ATOM 283 O ASP 1 20 8.160 -8.621 -3.815 1.00 0.00 O ATOM 284 CB ASP 1 20 8.235 -11.280 -3.264 1.00 0.00 C ATOM 285 CG ASP 1 20 9.637 -10.696 -3.450 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.215 -10.270 -2.427 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.100 -10.689 -4.611 1.00 0.00 O ATOM 0 H ASP 1 20 5.416 -11.366 -2.311 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.364 -10.623 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.323 -12.243 -2.761 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.804 -11.472 -4.247 1.00 0.00 H new ATOM 292 N CYS 1 21 7.289 -8.084 -1.797 1.00 0.00 N ATOM 293 CA CYS 1 21 7.560 -6.663 -1.934 1.00 0.00 C ATOM 294 C CYS 1 21 8.996 -6.495 -2.437 1.00 0.00 C ATOM 295 O CYS 1 21 9.280 -5.594 -3.224 1.00 0.00 O ATOM 296 CB CYS 1 21 7.323 -5.914 -0.622 1.00 0.00 C ATOM 297 SG CYS 1 21 6.733 -4.192 -0.818 1.00 0.00 S ATOM 0 H CYS 1 21 6.839 -8.350 -0.921 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.870 -6.225 -2.655 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.594 -6.468 -0.030 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.253 -5.902 -0.053 1.00 0.00 H new ATOM 302 N GLY 1 22 9.863 -7.375 -1.960 1.00 0.00 N ATOM 303 CA GLY 1 22 11.262 -7.335 -2.351 1.00 0.00 C ATOM 304 C GLY 1 22 11.865 -5.955 -2.087 1.00 0.00 C ATOM 305 O GLY 1 22 12.325 -5.287 -3.012 1.00 0.00 O ATOM 0 H GLY 1 22 9.624 -8.120 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.820 -8.091 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.355 -7.580 -3.409 1.00 0.00 H new ATOM 309 N TYR 1 23 11.845 -5.567 -0.819 1.00 0.00 N ATOM 310 CA TYR 1 23 12.384 -4.278 -0.422 1.00 0.00 C ATOM 311 C TYR 1 23 13.858 -4.399 -0.026 1.00 0.00 C ATOM 312 O TYR 1 23 14.248 -5.355 0.643 1.00 0.00 O ATOM 313 CB TYR 1 23 11.575 -3.841 0.800 1.00 0.00 C ATOM 314 CG TYR 1 23 10.680 -2.625 0.551 1.00 0.00 C ATOM 315 CD1 TYR 1 23 11.227 -1.358 0.536 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.326 -2.795 0.343 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.386 -0.213 0.302 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.485 -1.650 0.108 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.056 -0.416 0.099 1.00 0.00 C ATOM 320 OH TYR 1 23 8.261 0.666 -0.122 1.00 0.00 O ATOM 0 H TYR 1 23 11.464 -6.124 -0.054 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.318 -3.565 -1.244 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.955 -4.675 1.129 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.262 -3.613 1.615 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 12.286 -1.225 0.700 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.898 -3.786 0.357 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.801 0.784 0.288 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.424 -1.769 -0.057 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.463 1.046 -1.003 1.00 0.00 H new ATOM 330 N PRO 1 24 14.656 -3.390 -0.468 1.00 0.00 N ATOM 331 CA PRO 1 24 16.077 -3.374 -0.167 1.00 0.00 C ATOM 332 C PRO 1 24 16.324 -2.978 1.290 1.00 0.00 C ATOM 333 O PRO 1 24 17.459 -3.015 1.763 1.00 0.00 O ATOM 334 CB PRO 1 24 16.678 -2.391 -1.159 1.00 0.00 C ATOM 335 CG PRO 1 24 15.518 -1.550 -1.667 1.00 0.00 C ATOM 336 CD PRO 1 24 14.227 -2.242 -1.262 1.00 0.00 C ATOM 0 HA PRO 1 24 16.540 -4.356 -0.269 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.433 -1.767 -0.681 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.169 -2.915 -1.979 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.561 -0.546 -1.245 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.570 -1.443 -2.750 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.586 -1.577 -0.683 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.655 -2.556 -2.135 1.00 0.00 H new ATOM 344 N HIS 1 25 15.243 -2.608 1.962 1.00 0.00 N ATOM 345 CA HIS 1 25 15.329 -2.207 3.355 1.00 0.00 C ATOM 346 C HIS 1 25 14.408 -3.088 4.201 1.00 0.00 C ATOM 347 O HIS 1 25 14.103 -2.756 5.345 1.00 0.00 O ATOM 348 CB HIS 1 25 15.028 -0.715 3.510 1.00 0.00 C ATOM 349 CG HIS 1 25 16.232 0.121 3.870 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.702 0.239 5.166 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.058 0.878 3.090 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.763 1.034 5.156 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.981 1.428 3.869 1.00 0.00 N ATOM 0 H HIS 1 25 14.303 -2.578 1.567 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.347 -2.353 3.717 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.605 -0.342 2.577 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.266 -0.587 4.279 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.975 1.007 2.021 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.351 1.319 6.016 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.731 2.045 3.556 1.00 0.00 H new ATOM 362 N VAL 1 26 13.991 -4.196 3.605 1.00 0.00 N ATOM 363 CA VAL 1 26 13.112 -5.128 4.290 1.00 0.00 C ATOM 364 C VAL 1 26 13.527 -5.231 5.758 1.00 0.00 C ATOM 365 O VAL 1 26 14.700 -5.446 6.062 1.00 0.00 O ATOM 366 CB VAL 1 26 13.119 -6.479 3.570 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.546 -6.908 3.224 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.411 -7.548 4.405 1.00 0.00 C ATOM 0 H VAL 1 26 14.246 -4.469 2.656 1.00 0.00 H new ATOM 0 HA VAL 1 26 12.083 -4.768 4.269 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.569 -6.365 2.636 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.523 -7.871 2.713 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 15.002 -6.163 2.573 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 15.131 -6.997 4.139 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.430 -8.498 3.871 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.921 -7.659 5.362 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.377 -7.249 4.578 1.00 0.00 H new ATOM 378 N THR 1 27 12.543 -5.072 6.631 1.00 0.00 N ATOM 379 CA THR 1 27 12.792 -5.145 8.061 1.00 0.00 C ATOM 380 C THR 1 27 11.472 -5.207 8.830 1.00 0.00 C ATOM 381 O THR 1 27 10.452 -4.702 8.362 1.00 0.00 O ATOM 382 CB THR 1 27 13.666 -3.951 8.449 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.892 -4.541 8.874 1.00 0.00 O ATOM 384 CG2 THR 1 27 13.149 -3.228 9.695 1.00 0.00 C ATOM 0 H THR 1 27 11.572 -4.893 6.376 1.00 0.00 H new ATOM 0 HA THR 1 27 13.327 -6.058 8.324 1.00 0.00 H new ATOM 0 HB THR 1 27 13.714 -3.250 7.616 1.00 0.00 H new ATOM 0 HG1 THR 1 27 15.284 -5.050 8.134 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.805 -2.389 9.927 1.00 0.00 H new ATOM 0 HG22 THR 1 27 12.140 -2.859 9.509 1.00 0.00 H new ATOM 0 HG23 THR 1 27 13.133 -3.920 10.537 1.00 0.00 H new ATOM 392 N PRO 1 28 11.534 -5.847 10.028 1.00 0.00 N ATOM 393 CA PRO 1 28 10.355 -5.982 10.867 1.00 0.00 C ATOM 394 C PRO 1 28 10.016 -4.657 11.553 1.00 0.00 C ATOM 395 O PRO 1 28 9.879 -4.603 12.774 1.00 0.00 O ATOM 396 CB PRO 1 28 10.696 -7.089 11.850 1.00 0.00 C ATOM 397 CG PRO 1 28 12.211 -7.214 11.829 1.00 0.00 C ATOM 398 CD PRO 1 28 12.723 -6.457 10.615 1.00 0.00 C ATOM 0 HA PRO 1 28 9.461 -6.235 10.298 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 10.338 -6.847 12.851 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 10.223 -8.027 11.561 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.641 -6.805 12.743 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.507 -8.262 11.779 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 13.456 -5.702 10.900 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 13.214 -7.127 9.909 1.00 0.00 H new ATOM 406 N LYS 1 29 9.890 -3.620 10.737 1.00 0.00 N ATOM 407 CA LYS 1 29 9.569 -2.299 11.250 1.00 0.00 C ATOM 408 C LYS 1 29 9.570 -1.295 10.096 1.00 0.00 C ATOM 409 O LYS 1 29 9.006 -0.208 10.214 1.00 0.00 O ATOM 410 CB LYS 1 29 10.515 -1.924 12.393 1.00 0.00 C ATOM 411 CG LYS 1 29 9.780 -1.134 13.478 1.00 0.00 C ATOM 412 CD LYS 1 29 9.744 -1.913 14.794 1.00 0.00 C ATOM 413 CE LYS 1 29 9.173 -1.053 15.924 1.00 0.00 C ATOM 414 NZ LYS 1 29 8.459 -1.898 16.908 1.00 0.00 N ATOM 0 H LYS 1 29 10.004 -3.668 9.725 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.567 -2.290 11.680 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.945 -2.828 12.825 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 11.343 -1.331 12.005 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.274 -0.175 13.632 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.763 -0.919 13.150 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.138 -2.811 14.673 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 10.750 -2.241 15.054 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 9.979 -0.510 16.419 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 8.492 -0.308 15.513 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 8.078 -1.299 17.668 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 7.678 -2.397 16.436 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 9.119 -2.593 17.313 1.00 0.00 H new ATOM 428 N GLU 1 30 10.211 -1.694 9.008 1.00 0.00 N ATOM 429 CA GLU 1 30 10.293 -0.842 7.833 1.00 0.00 C ATOM 430 C GLU 1 30 9.261 -1.273 6.790 1.00 0.00 C ATOM 431 O GLU 1 30 8.568 -0.437 6.214 1.00 0.00 O ATOM 432 CB GLU 1 30 11.704 -0.855 7.244 1.00 0.00 C ATOM 433 CG GLU 1 30 12.483 0.396 7.657 1.00 0.00 C ATOM 434 CD GLU 1 30 13.573 0.053 8.675 1.00 0.00 C ATOM 435 OE1 GLU 1 30 14.665 -0.354 8.222 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.289 0.205 9.883 1.00 0.00 O ATOM 0 H GLU 1 30 10.679 -2.596 8.915 1.00 0.00 H new ATOM 0 HA GLU 1 30 10.069 0.181 8.135 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 12.234 -1.746 7.581 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.648 -0.910 6.157 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.934 0.855 6.777 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.799 1.130 8.084 1.00 0.00 H new ATOM 443 N CYS 1 31 9.189 -2.581 6.581 1.00 0.00 N ATOM 444 CA CYS 1 31 8.251 -3.134 5.618 1.00 0.00 C ATOM 445 C CYS 1 31 6.845 -2.662 5.991 1.00 0.00 C ATOM 446 O CYS 1 31 6.130 -2.109 5.156 1.00 0.00 O ATOM 447 CB CYS 1 31 8.343 -4.659 5.552 1.00 0.00 C ATOM 448 SG CYS 1 31 9.791 -5.303 4.637 1.00 0.00 S ATOM 0 H CYS 1 31 9.764 -3.272 7.062 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.499 -2.777 4.618 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.370 -5.051 6.569 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.436 -5.044 5.086 1.00 0.00 H new ATOM 453 N ASN 1 32 6.490 -2.896 7.245 1.00 0.00 N ATOM 454 CA ASN 1 32 5.181 -2.502 7.739 1.00 0.00 C ATOM 455 C ASN 1 32 5.091 -0.975 7.768 1.00 0.00 C ATOM 456 O ASN 1 32 4.039 -0.418 8.080 1.00 0.00 O ATOM 457 CB ASN 1 32 4.951 -3.016 9.162 1.00 0.00 C ATOM 458 CG ASN 1 32 4.108 -4.294 9.154 1.00 0.00 C ATOM 459 OD1 ASN 1 32 3.031 -4.361 9.723 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.656 -5.299 8.479 1.00 0.00 N ATOM 0 H ASN 1 32 7.086 -3.354 7.935 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.428 -2.928 7.076 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.910 -3.212 9.641 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.450 -2.249 9.753 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 4.171 -6.194 8.414 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.561 -5.175 8.026 1.00 0.00 H new ATOM 467 N ASN 1 33 6.207 -0.342 7.440 1.00 0.00 N ATOM 468 CA ASN 1 33 6.266 1.110 7.424 1.00 0.00 C ATOM 469 C ASN 1 33 6.255 1.601 5.975 1.00 0.00 C ATOM 470 O ASN 1 33 5.838 2.725 5.701 1.00 0.00 O ATOM 471 CB ASN 1 33 7.551 1.615 8.084 1.00 0.00 C ATOM 472 CG ASN 1 33 7.405 3.074 8.523 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.331 3.651 8.501 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.543 3.636 8.920 1.00 0.00 N ATOM 0 H ASN 1 33 7.078 -0.807 7.183 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.404 1.489 7.973 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.789 0.994 8.947 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.383 1.523 7.386 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.551 4.607 9.231 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.408 3.096 8.914 1.00 0.00 H new ATOM 481 N ARG 1 34 6.717 0.735 5.087 1.00 0.00 N ATOM 482 CA ARG 1 34 6.764 1.066 3.672 1.00 0.00 C ATOM 483 C ARG 1 34 5.423 0.748 3.007 1.00 0.00 C ATOM 484 O ARG 1 34 5.082 1.331 1.979 1.00 0.00 O ATOM 485 CB ARG 1 34 7.875 0.290 2.962 1.00 0.00 C ATOM 486 CG ARG 1 34 9.158 0.283 3.794 1.00 0.00 C ATOM 487 CD ARG 1 34 10.362 0.709 2.951 1.00 0.00 C ATOM 488 NE ARG 1 34 11.274 1.550 3.759 1.00 0.00 N ATOM 489 CZ ARG 1 34 12.503 1.912 3.370 1.00 0.00 C ATOM 490 NH1 ARG 1 34 12.976 1.512 2.181 1.00 0.00 N ATOM 491 NH2 ARG 1 34 13.261 2.677 4.168 1.00 0.00 N ATOM 0 H ARG 1 34 7.063 -0.196 5.319 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.971 2.133 3.588 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.549 -0.734 2.781 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.071 0.739 1.988 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 9.048 0.957 4.644 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 9.328 -0.715 4.198 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.892 -0.172 2.588 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 10.025 1.262 2.074 1.00 0.00 H new ATOM 0 HE ARG 1 34 10.946 1.874 4.669 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 12.399 0.931 1.572 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.912 1.788 1.885 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.902 2.984 5.072 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 14.197 2.952 3.871 1.00 0.00 H new ATOM 505 N GLY 1 35 4.700 -0.176 3.621 1.00 0.00 N ATOM 506 CA GLY 1 35 3.404 -0.579 3.101 1.00 0.00 C ATOM 507 C GLY 1 35 3.386 -2.072 2.767 1.00 0.00 C ATOM 508 O GLY 1 35 2.589 -2.519 1.944 1.00 0.00 O ATOM 0 H GLY 1 35 4.986 -0.657 4.473 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.629 -0.358 3.835 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.171 -0.000 2.207 1.00 0.00 H new ATOM 512 N CYS 1 36 4.278 -2.802 3.422 1.00 0.00 N ATOM 513 CA CYS 1 36 4.375 -4.235 3.205 1.00 0.00 C ATOM 514 C CYS 1 36 4.126 -4.942 4.539 1.00 0.00 C ATOM 515 O CYS 1 36 3.821 -4.296 5.540 1.00 0.00 O ATOM 516 CB CYS 1 36 5.723 -4.625 2.596 1.00 0.00 C ATOM 517 SG CYS 1 36 6.149 -3.747 1.048 1.00 0.00 S ATOM 0 H CYS 1 36 4.939 -2.428 4.102 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.620 -4.547 2.483 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.506 -4.437 3.331 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.721 -5.697 2.400 1.00 0.00 H new ATOM 522 N CYS 1 37 4.266 -6.259 4.510 1.00 0.00 N ATOM 523 CA CYS 1 37 4.060 -7.060 5.704 1.00 0.00 C ATOM 524 C CYS 1 37 5.302 -7.927 5.922 1.00 0.00 C ATOM 525 O CYS 1 37 5.742 -8.627 5.011 1.00 0.00 O ATOM 526 CB CYS 1 37 2.786 -7.903 5.609 1.00 0.00 C ATOM 527 SG CYS 1 37 2.061 -8.384 7.218 1.00 0.00 S ATOM 0 H CYS 1 37 4.520 -6.791 3.678 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.920 -6.404 6.563 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 2.040 -7.346 5.043 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 3.007 -8.807 5.041 1.00 0.00 H new ATOM 532 N PHE 1 38 5.832 -7.851 7.134 1.00 0.00 N ATOM 533 CA PHE 1 38 7.015 -8.620 7.482 1.00 0.00 C ATOM 534 C PHE 1 38 6.645 -10.056 7.856 1.00 0.00 C ATOM 535 O PHE 1 38 5.767 -10.279 8.688 1.00 0.00 O ATOM 536 CB PHE 1 38 7.651 -7.937 8.695 1.00 0.00 C ATOM 537 CG PHE 1 38 9.069 -8.420 9.008 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.135 -7.839 8.398 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.262 -9.431 9.898 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.452 -8.287 8.689 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.577 -9.878 10.189 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.644 -9.297 9.579 1.00 0.00 C ATOM 0 H PHE 1 38 5.464 -7.269 7.887 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.697 -8.659 6.633 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.674 -6.861 8.523 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.020 -8.106 9.567 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.982 -7.036 7.692 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.415 -9.893 10.383 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.299 -7.826 8.204 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.730 -10.680 10.896 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.644 -9.638 9.801 1.00 0.00 H new ATOM 552 N ASP 1 39 7.332 -10.995 7.222 1.00 0.00 N ATOM 553 CA ASP 1 39 7.087 -12.404 7.477 1.00 0.00 C ATOM 554 C ASP 1 39 7.614 -12.765 8.868 1.00 0.00 C ATOM 555 O ASP 1 39 6.943 -12.524 9.871 1.00 0.00 O ATOM 556 CB ASP 1 39 7.810 -13.284 6.455 1.00 0.00 C ATOM 557 CG ASP 1 39 7.879 -14.769 6.814 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.793 -15.360 6.995 1.00 0.00 O ATOM 559 OD2 ASP 1 39 9.016 -15.280 6.899 1.00 0.00 O ATOM 0 H ASP 1 39 8.059 -10.807 6.532 1.00 0.00 H new ATOM 0 HA ASP 1 39 6.013 -12.577 7.406 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 7.310 -13.181 5.492 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 8.826 -12.909 6.329 1.00 0.00 H new ATOM 564 N SER 1 40 8.808 -13.336 8.883 1.00 0.00 N ATOM 565 CA SER 1 40 9.432 -13.734 10.134 1.00 0.00 C ATOM 566 C SER 1 40 9.078 -15.186 10.458 1.00 0.00 C ATOM 567 O SER 1 40 9.643 -15.776 11.377 1.00 0.00 O ATOM 568 CB SER 1 40 9.004 -12.815 11.279 1.00 0.00 C ATOM 569 OG SER 1 40 10.009 -12.707 12.283 1.00 0.00 O ATOM 0 H SER 1 40 9.361 -13.533 8.049 1.00 0.00 H new ATOM 0 HA SER 1 40 10.513 -13.648 10.019 1.00 0.00 H new ATOM 0 HB2 SER 1 40 8.779 -11.824 10.884 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.086 -13.196 11.725 1.00 0.00 H new ATOM 0 HG SER 1 40 9.697 -12.110 12.995 1.00 0.00 H new ATOM 575 N ARG 1 41 8.144 -15.720 9.685 1.00 0.00 N ATOM 576 CA ARG 1 41 7.707 -17.093 9.878 1.00 0.00 C ATOM 577 C ARG 1 41 8.555 -18.044 9.030 1.00 0.00 C ATOM 578 O ARG 1 41 9.163 -18.975 9.555 1.00 0.00 O ATOM 579 CB ARG 1 41 6.234 -17.260 9.501 1.00 0.00 C ATOM 580 CG ARG 1 41 5.399 -16.089 10.022 1.00 0.00 C ATOM 581 CD ARG 1 41 3.963 -16.527 10.317 1.00 0.00 C ATOM 582 NE ARG 1 41 3.734 -16.564 11.778 1.00 0.00 N ATOM 583 CZ ARG 1 41 2.637 -17.073 12.355 1.00 0.00 C ATOM 584 NH1 ARG 1 41 1.662 -17.592 11.597 1.00 0.00 N ATOM 585 NH2 ARG 1 41 2.516 -17.064 13.689 1.00 0.00 N ATOM 0 H ARG 1 41 7.677 -15.227 8.924 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.830 -17.335 10.934 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.138 -17.326 8.417 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.853 -18.195 9.913 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.854 -15.688 10.928 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.394 -15.286 9.285 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.261 -15.838 9.848 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.779 -17.512 9.887 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.457 -16.177 12.385 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 1.755 -17.600 10.581 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 0.827 -17.980 12.036 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 3.259 -16.670 14.266 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 1.681 -17.452 14.128 1.00 0.00 H new ATOM 599 N ILE 1 42 8.568 -17.776 7.733 1.00 0.00 N ATOM 600 CA ILE 1 42 9.330 -18.597 6.807 1.00 0.00 C ATOM 601 C ILE 1 42 10.423 -17.745 6.157 1.00 0.00 C ATOM 602 O ILE 1 42 10.131 -16.728 5.529 1.00 0.00 O ATOM 603 CB ILE 1 42 8.399 -19.275 5.800 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.981 -19.396 6.360 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.960 -20.628 5.360 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.063 -20.124 5.376 1.00 0.00 C ATOM 0 H ILE 1 42 8.063 -17.002 7.301 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.830 -19.407 7.339 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.341 -18.647 4.911 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.005 -19.935 7.307 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.582 -18.403 6.568 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.279 -21.089 4.644 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.934 -20.483 4.893 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.067 -21.277 6.229 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.061 -20.197 5.799 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.022 -19.570 4.438 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.451 -21.125 5.189 1.00 0.00 H new ATOM 618 N PRO 1 43 11.691 -18.201 6.337 1.00 0.00 N ATOM 619 CA PRO 1 43 12.828 -17.492 5.775 1.00 0.00 C ATOM 620 C PRO 1 43 12.923 -17.717 4.265 1.00 0.00 C ATOM 621 O PRO 1 43 13.680 -17.032 3.579 1.00 0.00 O ATOM 622 CB PRO 1 43 14.035 -18.023 6.532 1.00 0.00 C ATOM 623 CG PRO 1 43 13.591 -19.335 7.158 1.00 0.00 C ATOM 624 CD PRO 1 43 12.074 -19.401 7.075 1.00 0.00 C ATOM 0 HA PRO 1 43 12.747 -16.411 5.888 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.880 -18.177 5.861 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.359 -17.316 7.296 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.039 -20.179 6.634 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.920 -19.393 8.196 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.744 -20.304 6.561 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.623 -19.416 8.067 1.00 0.00 H new ATOM 632 N GLY 1 44 12.145 -18.679 3.792 1.00 0.00 N ATOM 633 CA GLY 1 44 12.131 -19.002 2.376 1.00 0.00 C ATOM 634 C GLY 1 44 11.078 -18.177 1.634 1.00 0.00 C ATOM 635 O GLY 1 44 11.030 -18.184 0.405 1.00 0.00 O ATOM 0 H GLY 1 44 11.519 -19.246 4.365 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.115 -18.813 1.947 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 11.925 -20.064 2.244 1.00 0.00 H new ATOM 639 N VAL 1 45 10.258 -17.486 2.413 1.00 0.00 N ATOM 640 CA VAL 1 45 9.209 -16.657 1.845 1.00 0.00 C ATOM 641 C VAL 1 45 9.617 -15.185 1.945 1.00 0.00 C ATOM 642 O VAL 1 45 10.602 -14.854 2.602 1.00 0.00 O ATOM 643 CB VAL 1 45 7.876 -16.955 2.536 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.463 -15.802 3.453 1.00 0.00 C ATOM 645 CG2 VAL 1 45 6.783 -17.258 1.508 1.00 0.00 C ATOM 0 H VAL 1 45 10.299 -17.484 3.432 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.072 -16.886 0.788 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.010 -17.842 3.155 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.513 -16.040 3.931 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.226 -15.653 4.217 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.355 -14.890 2.865 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 5.846 -17.466 2.024 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 6.652 -16.398 0.852 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.072 -18.126 0.915 1.00 0.00 H new ATOM 655 N PRO 1 46 8.817 -14.320 1.265 1.00 0.00 N ATOM 656 CA PRO 1 46 9.085 -12.892 1.270 1.00 0.00 C ATOM 657 C PRO 1 46 8.686 -12.265 2.607 1.00 0.00 C ATOM 658 O PRO 1 46 7.509 -12.256 2.967 1.00 0.00 O ATOM 659 CB PRO 1 46 8.295 -12.340 0.095 1.00 0.00 C ATOM 660 CG PRO 1 46 7.252 -13.394 -0.239 1.00 0.00 C ATOM 661 CD PRO 1 46 7.642 -14.677 0.476 1.00 0.00 C ATOM 0 HA PRO 1 46 10.145 -12.662 1.163 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.823 -11.392 0.353 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.946 -12.151 -0.759 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.262 -13.066 0.078 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.204 -13.556 -1.316 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.833 -15.038 1.111 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 7.869 -15.473 -0.234 1.00 0.00 H new ATOM 669 N TRP 1 47 9.687 -11.754 3.308 1.00 0.00 N ATOM 670 CA TRP 1 47 9.456 -11.125 4.598 1.00 0.00 C ATOM 671 C TRP 1 47 9.108 -9.657 4.351 1.00 0.00 C ATOM 672 O TRP 1 47 9.384 -8.801 5.192 1.00 0.00 O ATOM 673 CB TRP 1 47 10.662 -11.308 5.521 1.00 0.00 C ATOM 674 CG TRP 1 47 11.676 -12.341 5.024 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.585 -13.676 5.075 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.945 -12.066 4.395 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.698 -14.281 4.527 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.552 -13.270 4.101 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.561 -10.840 4.084 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.804 -13.367 3.481 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.811 -10.954 3.467 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.436 -12.159 3.164 1.00 0.00 C ATOM 0 H TRP 1 47 10.662 -11.763 3.007 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.621 -11.598 5.115 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.165 -10.348 5.639 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.309 -11.606 6.508 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.746 -14.212 5.493 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.863 -15.284 4.449 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.105 -9.886 4.304 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.257 -14.322 3.260 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.327 -10.042 3.207 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.405 -12.163 2.686 1.00 0.00 H new ATOM 693 N CYS 1 48 8.507 -9.409 3.197 1.00 0.00 N ATOM 694 CA CYS 1 48 8.119 -8.057 2.831 1.00 0.00 C ATOM 695 C CYS 1 48 7.169 -8.138 1.634 1.00 0.00 C ATOM 696 O CYS 1 48 7.611 -8.194 0.487 1.00 0.00 O ATOM 697 CB CYS 1 48 9.336 -7.180 2.533 1.00 0.00 C ATOM 698 SG CYS 1 48 9.055 -5.383 2.736 1.00 0.00 S ATOM 0 H CYS 1 48 8.279 -10.121 2.503 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.608 -7.583 3.669 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 10.153 -7.482 3.188 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.661 -7.369 1.510 1.00 0.00 H new ATOM 703 N PHE 1 49 5.880 -8.144 1.942 1.00 0.00 N ATOM 704 CA PHE 1 49 4.863 -8.218 0.906 1.00 0.00 C ATOM 705 C PHE 1 49 3.705 -7.266 1.207 1.00 0.00 C ATOM 706 O PHE 1 49 3.745 -6.522 2.186 1.00 0.00 O ATOM 707 CB PHE 1 49 4.337 -9.654 0.897 1.00 0.00 C ATOM 708 CG PHE 1 49 4.350 -10.330 2.269 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.532 -10.571 2.897 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.180 -10.691 2.860 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.543 -11.199 4.172 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.191 -11.319 4.134 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.372 -11.560 4.762 1.00 0.00 C ATOM 0 H PHE 1 49 5.517 -8.099 2.894 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.291 -7.935 -0.056 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.317 -9.654 0.513 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.938 -10.246 0.206 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.462 -10.285 2.427 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.242 -10.500 2.360 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.481 -11.389 4.672 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.261 -11.605 4.603 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.381 -12.038 5.730 1.00 0.00 H new ATOM 723 N LYS 1 50 2.698 -7.318 0.346 1.00 0.00 N ATOM 724 CA LYS 1 50 1.530 -6.469 0.507 1.00 0.00 C ATOM 725 C LYS 1 50 0.287 -7.346 0.675 1.00 0.00 C ATOM 726 O LYS 1 50 -0.547 -7.425 -0.224 1.00 0.00 O ATOM 727 CB LYS 1 50 1.428 -5.474 -0.650 1.00 0.00 C ATOM 728 CG LYS 1 50 2.519 -5.730 -1.692 1.00 0.00 C ATOM 729 CD LYS 1 50 3.833 -5.058 -1.288 1.00 0.00 C ATOM 730 CE LYS 1 50 3.605 -3.592 -0.911 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.683 -2.947 -1.872 1.00 0.00 N ATOM 0 H LYS 1 50 2.668 -7.935 -0.465 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.619 -5.865 1.410 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.447 -5.555 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.516 -4.457 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.675 -6.803 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.196 -5.352 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.274 -5.590 -0.445 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.545 -5.119 -2.111 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.192 -3.529 0.096 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.557 -3.061 -0.899 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.943 -1.946 -1.985 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.748 -3.428 -2.792 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.708 -3.013 -1.516 1.00 0.00 H new ATOM 745 N PRO 1 51 0.203 -8.000 1.865 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.924 -8.868 2.162 1.00 0.00 C ATOM 747 C PRO 1 51 -2.177 -8.050 2.483 1.00 0.00 C ATOM 748 O PRO 1 51 -2.880 -7.605 1.578 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.462 -9.726 3.328 1.00 0.00 C ATOM 750 CG PRO 1 51 0.724 -8.998 3.938 1.00 0.00 C ATOM 751 CD PRO 1 51 1.172 -7.930 2.953 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.210 -9.490 1.314 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.260 -9.853 4.059 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.177 -10.722 2.991 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.446 -8.547 4.890 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.537 -9.695 4.141 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.178 -6.943 3.415 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.184 -8.121 2.595 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.417 -7.876 3.775 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.573 -7.120 4.225 1.00 0.00 C ATOM 761 C LEU 1 52 -3.168 -5.661 4.447 1.00 0.00 C ATOM 762 O LEU 1 52 -3.726 -4.981 5.306 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.197 -7.778 5.458 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.686 -7.285 6.812 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.795 -6.573 7.590 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.067 -8.431 7.616 1.00 0.00 C ATOM 0 H LEU 1 52 -1.831 -8.245 4.523 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.351 -7.124 3.461 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.275 -7.624 5.421 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.026 -8.853 5.397 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.897 -6.554 6.634 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.405 -6.232 8.549 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.149 -5.716 7.017 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.622 -7.263 7.759 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.712 -8.053 8.574 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.818 -9.203 7.786 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.230 -8.855 7.061 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.199 -5.223 3.655 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.712 -3.858 3.754 1.00 0.00 C ATOM 780 C GLN 1 53 -2.879 -2.872 3.679 1.00 0.00 C ATOM 781 O GLN 1 53 -2.764 -1.732 4.127 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.675 -3.565 2.668 1.00 0.00 C ATOM 783 CG GLN 1 53 0.548 -4.471 2.820 1.00 0.00 C ATOM 784 CD GLN 1 53 1.176 -4.319 4.207 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.470 -5.283 4.893 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.364 -3.055 4.578 1.00 0.00 N ATOM 0 H GLN 1 53 -1.739 -5.790 2.943 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.221 -3.737 4.720 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.121 -3.712 1.685 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.368 -2.521 2.725 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.257 -5.509 2.661 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.284 -4.225 2.055 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 1.095 -2.295 3.954 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.778 -2.846 5.487 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.977 -3.346 3.107 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.164 -2.520 2.966 1.00 0.00 C ATOM 797 C GLU 1 54 -5.378 -1.681 4.228 1.00 0.00 C ATOM 798 O GLU 1 54 -5.975 -0.606 4.168 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.394 -3.376 2.661 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.067 -3.849 3.952 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.215 -2.917 4.345 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.119 -1.721 3.998 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.163 -3.424 4.984 1.00 0.00 O ATOM 0 H GLU 1 54 -4.069 -4.292 2.736 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.016 -1.844 2.124 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.104 -2.801 2.067 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.102 -4.238 2.062 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.446 -4.862 3.819 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.333 -3.887 4.757 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.881 -2.202 5.339 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.011 -1.514 6.613 1.00 0.00 C ATOM 812 C ALA 1 55 -4.872 -0.007 6.390 1.00 0.00 C ATOM 813 O ALA 1 55 -5.835 0.740 6.553 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.971 -2.058 7.595 1.00 0.00 C ATOM 0 H ALA 1 55 -4.387 -3.093 5.384 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.994 -1.693 7.048 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.068 -1.542 8.550 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.132 -3.126 7.741 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.971 -1.894 7.194 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.665 0.395 6.021 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.385 1.799 5.774 1.00 0.00 C ATOM 822 C GLU 1 56 -2.614 1.965 4.464 1.00 0.00 C ATOM 823 O GLU 1 56 -1.907 2.954 4.277 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.620 2.420 6.943 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.030 3.878 7.156 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.233 4.181 8.642 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.359 3.759 9.431 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -4.257 4.826 8.956 1.00 0.00 O ATOM 0 H GLU 1 56 -2.869 -0.228 5.887 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.334 2.327 5.683 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.811 1.849 7.851 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.548 2.364 6.751 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -2.264 4.538 6.748 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.951 4.084 6.611 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.777 0.983 3.590 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.105 1.007 2.302 1.00 0.00 C ATOM 837 C CYS 1 57 -3.139 1.345 1.226 1.00 0.00 C ATOM 838 O CYS 1 57 -2.913 2.225 0.397 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.390 -0.314 2.011 1.00 0.00 C ATOM 840 SG CYS 1 57 0.065 -0.173 0.910 1.00 0.00 S ATOM 0 H CYS 1 57 -3.365 0.165 3.749 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.327 1.771 2.310 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.072 -0.754 2.956 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.103 -1.005 1.561 1.00 0.00 H new ATOM 845 N THR 1 58 -4.251 0.626 1.274 1.00 0.00 N ATOM 846 CA THR 1 58 -5.321 0.838 0.314 1.00 0.00 C ATOM 847 C THR 1 58 -6.197 2.017 0.743 1.00 0.00 C ATOM 848 O THR 1 58 -6.532 2.875 -0.074 1.00 0.00 O ATOM 849 CB THR 1 58 -6.096 -0.473 0.171 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.714 -0.375 -1.108 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.272 -0.568 1.146 1.00 0.00 C ATOM 0 H THR 1 58 -4.434 -0.104 1.963 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.925 1.107 -0.665 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.420 -1.312 0.334 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.555 -0.878 -1.104 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.788 -1.517 1.002 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.902 -0.507 2.169 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.965 0.253 0.961 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.541 2.023 2.022 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.370 3.084 2.569 1.00 0.00 C ATOM 861 C PHE 1 59 -7.065 4.422 1.894 1.00 0.00 C ATOM 862 O PHE 1 59 -5.981 4.976 2.069 1.00 0.00 O ATOM 863 CB PHE 1 59 -7.037 3.188 4.058 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.667 4.398 4.753 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -9.013 4.448 4.943 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.882 5.423 5.180 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.599 5.569 5.587 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.467 6.544 5.825 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.813 6.595 6.014 1.00 0.00 C ATOM 0 H PHE 1 59 -6.261 1.310 2.696 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.423 2.857 2.403 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -7.371 2.279 4.559 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.954 3.237 4.175 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.636 3.634 4.604 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -5.813 5.384 5.028 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.668 5.608 5.738 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -6.843 7.357 6.166 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.258 7.449 6.503 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -22.443 6.583 -1.278 1.00 0.00 N ATOM 881 CA GLU 2 1 -21.386 6.323 -2.241 1.00 0.00 C ATOM 882 C GLU 2 1 -20.778 4.939 -2.001 1.00 0.00 C ATOM 883 O GLU 2 1 -20.273 4.659 -0.915 1.00 0.00 O ATOM 884 CB GLU 2 1 -20.312 7.410 -2.183 1.00 0.00 C ATOM 885 CG GLU 2 1 -20.765 8.669 -2.927 1.00 0.00 C ATOM 886 CD GLU 2 1 -20.188 9.927 -2.276 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -18.942 10.014 -2.214 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -21.005 10.774 -1.855 1.00 0.00 O ATOM 0 H1 GLU 2 1 -22.696 7.591 -1.304 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -23.278 6.011 -1.516 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -22.113 6.333 -0.324 1.00 0.00 H new ATOM 0 HA GLU 2 1 -21.820 6.340 -3.241 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -20.094 7.656 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -19.387 7.036 -2.623 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -20.447 8.615 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -21.854 8.723 -2.929 1.00 0.00 H new ATOM 895 N GLU 2 2 -20.848 4.109 -3.031 1.00 0.00 N ATOM 896 CA GLU 2 2 -20.312 2.762 -2.946 1.00 0.00 C ATOM 897 C GLU 2 2 -18.844 2.746 -3.376 1.00 0.00 C ATOM 898 O GLU 2 2 -18.070 3.621 -2.988 1.00 0.00 O ATOM 899 CB GLU 2 2 -21.141 1.788 -3.786 1.00 0.00 C ATOM 900 CG GLU 2 2 -20.997 0.356 -3.265 1.00 0.00 C ATOM 901 CD GLU 2 2 -22.042 0.057 -2.188 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -22.401 1.011 -1.465 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -22.458 -1.119 -2.113 1.00 0.00 O ATOM 0 H GLU 2 2 -21.269 4.344 -3.930 1.00 0.00 H new ATOM 0 HA GLU 2 2 -20.369 2.434 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -22.190 2.084 -3.763 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -20.820 1.834 -4.826 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -21.108 -0.348 -4.090 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -19.997 0.213 -2.856 1.00 0.00 H new ATOM 910 N TYR 2 3 -18.505 1.744 -4.174 1.00 0.00 N ATOM 911 CA TYR 2 3 -17.144 1.603 -4.662 1.00 0.00 C ATOM 912 C TYR 2 3 -16.792 2.729 -5.637 1.00 0.00 C ATOM 913 O TYR 2 3 -16.530 2.477 -6.812 1.00 0.00 O ATOM 914 CB TYR 2 3 -17.098 0.267 -5.405 1.00 0.00 C ATOM 915 CG TYR 2 3 -18.326 -0.001 -6.277 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -18.371 0.472 -7.573 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -19.391 -0.718 -5.768 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -19.527 0.219 -8.394 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -20.547 -0.971 -6.589 1.00 0.00 C ATOM 920 CZ TYR 2 3 -20.558 -0.490 -7.860 1.00 0.00 C ATOM 921 OH TYR 2 3 -21.650 -0.729 -8.635 1.00 0.00 O ATOM 0 H TYR 2 3 -19.150 1.022 -4.495 1.00 0.00 H new ATOM 0 HA TYR 2 3 -16.434 1.646 -3.836 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -16.207 0.242 -6.032 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -16.998 -0.539 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -17.538 1.032 -7.972 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -19.357 -1.089 -4.754 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -19.574 0.584 -9.410 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -21.386 -1.530 -6.203 1.00 0.00 H new ATOM 0 HH TYR 2 3 -22.307 -1.247 -8.124 1.00 0.00 H new ATOM 931 N VAL 2 4 -16.799 3.946 -5.114 1.00 0.00 N ATOM 932 CA VAL 2 4 -16.484 5.110 -5.923 1.00 0.00 C ATOM 933 C VAL 2 4 -15.245 5.803 -5.352 1.00 0.00 C ATOM 934 O VAL 2 4 -14.268 6.025 -6.066 1.00 0.00 O ATOM 935 CB VAL 2 4 -17.700 6.034 -6.006 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -18.878 5.331 -6.685 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -18.093 6.550 -4.621 1.00 0.00 C ATOM 0 H VAL 2 4 -17.018 4.151 -4.139 1.00 0.00 H new ATOM 0 HA VAL 2 4 -16.248 4.812 -6.945 1.00 0.00 H new ATOM 0 HB VAL 2 4 -17.426 6.894 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -19.729 6.010 -6.731 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -18.593 5.037 -7.695 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -19.152 4.444 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -18.960 7.205 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -18.339 5.707 -3.975 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -17.261 7.107 -4.190 1.00 0.00 H new ATOM 947 N GLY 2 5 -15.325 6.127 -4.069 1.00 0.00 N ATOM 948 CA GLY 2 5 -14.223 6.790 -3.394 1.00 0.00 C ATOM 949 C GLY 2 5 -13.057 5.825 -3.170 1.00 0.00 C ATOM 950 O GLY 2 5 -12.060 6.184 -2.544 1.00 0.00 O ATOM 0 H GLY 2 5 -16.137 5.942 -3.480 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -13.887 7.640 -3.987 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -14.563 7.184 -2.436 1.00 0.00 H new ATOM 954 N LEU 2 6 -13.219 4.620 -3.694 1.00 0.00 N ATOM 955 CA LEU 2 6 -12.192 3.600 -3.560 1.00 0.00 C ATOM 956 C LEU 2 6 -11.874 3.018 -4.939 1.00 0.00 C ATOM 957 O LEU 2 6 -11.082 2.084 -5.054 1.00 0.00 O ATOM 958 CB LEU 2 6 -12.612 2.548 -2.532 1.00 0.00 C ATOM 959 CG LEU 2 6 -14.034 2.002 -2.674 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -14.158 1.110 -3.911 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -14.474 1.278 -1.400 1.00 0.00 C ATOM 0 H LEU 2 6 -14.047 4.326 -4.213 1.00 0.00 H new ATOM 0 HA LEU 2 6 -11.270 4.037 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -11.915 1.712 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -12.507 2.979 -1.536 1.00 0.00 H new ATOM 0 HG LEU 2 6 -14.710 2.845 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -15.179 0.735 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -13.915 1.688 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -13.469 0.270 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -15.488 0.900 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -13.799 0.445 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -14.449 1.972 -0.560 1.00 0.00 H new ATOM 973 N SER 2 7 -12.504 3.597 -5.951 1.00 0.00 N ATOM 974 CA SER 2 7 -12.298 3.147 -7.317 1.00 0.00 C ATOM 975 C SER 2 7 -10.939 3.631 -7.826 1.00 0.00 C ATOM 976 O SER 2 7 -10.179 4.253 -7.086 1.00 0.00 O ATOM 977 CB SER 2 7 -13.417 3.644 -8.235 1.00 0.00 C ATOM 978 OG SER 2 7 -13.265 5.023 -8.562 1.00 0.00 O ATOM 0 H SER 2 7 -13.157 4.374 -5.852 1.00 0.00 H new ATOM 0 HA SER 2 7 -12.316 2.057 -7.326 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -13.424 3.053 -9.151 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -14.380 3.491 -7.749 1.00 0.00 H new ATOM 0 HG SER 2 7 -13.566 5.573 -7.809 1.00 0.00 H new ATOM 984 N ALA 2 8 -10.673 3.325 -9.088 1.00 0.00 N ATOM 985 CA ALA 2 8 -9.418 3.721 -9.705 1.00 0.00 C ATOM 986 C ALA 2 8 -9.447 5.225 -9.989 1.00 0.00 C ATOM 987 O ALA 2 8 -8.455 5.792 -10.445 1.00 0.00 O ATOM 988 CB ALA 2 8 -9.189 2.893 -10.971 1.00 0.00 C ATOM 0 H ALA 2 8 -11.305 2.808 -9.699 1.00 0.00 H new ATOM 0 HA ALA 2 8 -8.582 3.528 -9.033 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -8.248 3.189 -11.434 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -9.148 1.835 -10.711 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -10.007 3.064 -11.670 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.593 5.826 -9.708 1.00 0.00 N ATOM 995 CA ASN 2 9 -10.763 7.253 -9.926 1.00 0.00 C ATOM 996 C ASN 2 9 -10.617 7.990 -8.594 1.00 0.00 C ATOM 997 O ASN 2 9 -10.631 9.219 -8.556 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.152 7.561 -10.489 1.00 0.00 C ATOM 999 CG ASN 2 9 -12.115 8.797 -11.392 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -12.283 8.722 -12.598 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -11.888 9.935 -10.742 1.00 0.00 N ATOM 0 H ASN 2 9 -11.413 5.351 -9.331 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.005 7.579 -10.638 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -12.518 6.704 -11.054 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.852 7.725 -9.670 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -11.846 10.816 -11.255 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -11.756 9.927 -9.731 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.483 7.208 -7.533 1.00 0.00 N ATOM 1009 CA GLN 2 10 -10.334 7.771 -6.202 1.00 0.00 C ATOM 1010 C GLN 2 10 -9.023 8.552 -6.098 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.977 9.616 -5.482 1.00 0.00 O ATOM 1012 CB GLN 2 10 -10.408 6.679 -5.133 1.00 0.00 C ATOM 1013 CG GLN 2 10 -9.056 6.498 -4.441 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.151 5.469 -3.312 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -9.138 4.269 -3.528 1.00 0.00 O ATOM 1016 NE2 GLN 2 10 -9.247 6.005 -2.098 1.00 0.00 N ATOM 0 H GLN 2 10 -10.475 6.189 -7.568 1.00 0.00 H new ATOM 0 HA GLN 2 10 -11.159 8.461 -6.027 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -11.167 6.938 -4.395 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -10.716 5.738 -5.589 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -8.311 6.177 -5.169 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -8.718 7.453 -4.040 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -9.252 7.019 -1.987 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -9.315 5.402 -1.278 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.989 7.994 -6.711 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.681 8.625 -6.695 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.784 9.963 -7.430 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.846 10.759 -7.414 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.609 7.720 -7.306 1.00 0.00 C ATOM 1030 SG CYS 2 11 -3.950 8.481 -7.444 1.00 0.00 S ATOM 0 H CYS 2 11 -8.031 7.112 -7.222 1.00 0.00 H new ATOM 0 HA CYS 2 11 -6.372 8.800 -5.665 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.530 6.816 -6.702 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -5.936 7.412 -8.299 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.932 10.170 -8.057 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.170 11.398 -8.797 1.00 0.00 C ATOM 1037 C ALA 2 12 -9.011 12.349 -7.942 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.563 13.323 -8.450 1.00 0.00 O ATOM 1039 CB ALA 2 12 -8.841 11.069 -10.132 1.00 0.00 C ATOM 0 H ALA 2 12 -8.708 9.508 -8.068 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.228 11.899 -9.020 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -9.019 11.990 -10.686 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -8.192 10.415 -10.714 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.791 10.567 -9.948 1.00 0.00 H new ATOM 1045 N VAL 2 13 -9.081 12.033 -6.656 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.845 12.846 -5.727 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.580 14.326 -6.013 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.644 14.664 -6.736 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.511 12.448 -4.287 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.666 13.523 -3.602 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.785 12.159 -3.489 1.00 0.00 C ATOM 0 H VAL 2 13 -8.621 11.225 -6.237 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.913 12.675 -5.860 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.922 11.532 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.443 13.215 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.734 13.658 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -9.217 14.463 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -10.520 11.879 -2.470 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -11.412 13.051 -3.469 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -11.332 11.342 -3.960 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.445 15.190 -5.417 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.314 16.625 -5.601 1.00 0.00 C ATOM 1063 C PRO 2 14 -9.143 17.178 -4.786 1.00 0.00 C ATOM 1064 O PRO 2 14 -9.147 18.346 -4.401 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.656 17.200 -5.180 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.325 16.124 -4.340 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.564 14.825 -4.555 1.00 0.00 C ATOM 0 HA PRO 2 14 -10.085 16.898 -6.631 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.525 18.118 -4.607 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -12.264 17.451 -6.049 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -12.316 16.402 -3.286 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.369 16.007 -4.630 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -11.216 14.409 -3.610 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -12.195 14.069 -5.023 1.00 0.00 H new ATOM 1075 N ALA 2 15 -8.169 16.313 -4.546 1.00 0.00 N ATOM 1076 CA ALA 2 15 -6.995 16.700 -3.783 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.436 17.412 -2.503 1.00 0.00 C ATOM 1078 O ALA 2 15 -7.184 18.604 -2.333 1.00 0.00 O ATOM 1079 CB ALA 2 15 -6.086 17.572 -4.652 1.00 0.00 C ATOM 0 H ALA 2 15 -8.169 15.345 -4.867 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.421 15.821 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -5.205 17.863 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.777 17.010 -5.533 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.628 18.465 -4.963 1.00 0.00 H new ATOM 1085 N LYS 2 16 -8.087 16.652 -1.635 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.565 17.194 -0.376 1.00 0.00 C ATOM 1087 C LYS 2 16 -9.345 16.114 0.377 1.00 0.00 C ATOM 1088 O LYS 2 16 -10.347 16.407 1.029 1.00 0.00 O ATOM 1089 CB LYS 2 16 -9.365 18.477 -0.614 1.00 0.00 C ATOM 1090 CG LYS 2 16 -10.246 18.350 -1.859 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.723 18.538 -1.506 1.00 0.00 C ATOM 1092 CE LYS 2 16 -12.049 20.016 -1.282 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -13.405 20.165 -0.708 1.00 0.00 N ATOM 0 H LYS 2 16 -8.295 15.664 -1.780 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.726 17.481 0.257 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -9.987 18.689 0.256 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -8.683 19.319 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.947 19.094 -2.598 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -10.099 17.371 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -12.346 18.142 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -11.961 17.969 -0.607 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -11.313 20.460 -0.612 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -11.986 20.556 -2.227 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -13.611 21.174 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -14.105 19.760 -1.362 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -13.453 19.666 0.203 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.857 14.888 0.262 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.497 13.764 0.923 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.504 12.603 1.020 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.895 11.467 1.284 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.714 13.279 0.134 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.690 12.404 0.921 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -12.090 12.847 2.020 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.013 11.310 0.409 1.00 0.00 O ATOM 0 H ASP 2 17 -8.026 14.648 -0.279 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.817 14.093 1.912 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.253 14.148 -0.244 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.366 12.718 -0.733 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.238 12.930 0.801 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.186 11.929 0.861 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.610 11.847 2.275 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.939 12.666 3.132 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.061 12.254 -0.124 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.617 12.527 -1.522 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.824 13.633 -2.221 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.142 13.647 -3.666 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.370 14.222 -4.599 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.232 14.833 -4.244 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.737 14.186 -5.887 1.00 0.00 N ATOM 0 H ARG 2 18 -6.918 13.873 0.582 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.626 10.969 0.589 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.506 13.124 0.227 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.357 11.423 -0.165 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.578 11.615 -2.117 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.665 12.816 -1.450 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -5.064 14.600 -1.778 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.756 13.473 -2.077 1.00 0.00 H new ATOM 0 HE ARG 2 18 -6.002 13.191 -3.971 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.953 14.861 -3.263 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.645 15.270 -4.954 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.604 13.721 -6.158 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.150 14.623 -6.597 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.760 10.852 2.478 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.135 10.653 3.773 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.731 11.261 3.757 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.905 10.948 4.612 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.138 9.166 4.134 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.019 8.967 5.646 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.386 8.472 3.585 1.00 0.00 C ATOM 0 H VAL 2 19 -4.489 10.174 1.766 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.702 11.164 4.552 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.266 8.706 3.668 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.024 7.901 5.874 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.088 9.410 5.999 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.861 9.448 6.144 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.364 7.416 3.855 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.277 8.936 4.009 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.408 8.568 2.499 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.504 12.120 2.774 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.214 12.775 2.634 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.113 11.832 3.124 1.00 0.00 C ATOM 1162 O ASP 2 20 0.321 11.922 4.271 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.152 14.052 3.474 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.254 14.474 3.905 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.183 14.265 3.095 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.369 14.995 5.034 1.00 0.00 O ATOM 0 H ASP 2 20 -3.192 12.378 2.066 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.075 13.028 1.583 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.601 14.866 2.905 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.763 13.912 4.366 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.306 10.948 2.230 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.349 9.990 2.556 1.00 0.00 C ATOM 1173 C CYS 2 21 2.518 10.749 3.188 1.00 0.00 C ATOM 1174 O CYS 2 21 3.174 10.240 4.095 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.785 9.189 1.328 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.098 7.413 1.641 1.00 0.00 S ATOM 0 H CYS 2 21 -0.058 10.875 1.280 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.965 9.259 3.267 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.015 9.278 0.561 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.692 9.637 0.923 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.742 11.953 2.683 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.820 12.786 3.186 1.00 0.00 C ATOM 1183 C GLY 2 22 5.032 11.937 3.580 1.00 0.00 C ATOM 1184 O GLY 2 22 5.455 11.953 4.734 1.00 0.00 O ATOM 0 H GLY 2 22 2.195 12.371 1.931 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.111 13.510 2.425 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.473 13.354 4.049 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.553 11.217 2.598 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.707 10.363 2.827 1.00 0.00 C ATOM 1190 C TYR 2 23 8.010 11.121 2.565 1.00 0.00 C ATOM 1191 O TYR 2 23 8.015 12.129 1.861 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.588 9.214 1.825 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.071 7.908 2.432 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 4.757 7.810 2.842 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 6.920 6.830 2.571 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 4.271 6.581 3.414 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 6.434 5.600 3.143 1.00 0.00 C ATOM 1198 CZ TYR 2 23 5.134 5.537 3.536 1.00 0.00 C ATOM 1199 OH TYR 2 23 4.675 4.377 4.076 1.00 0.00 O ATOM 0 H TYR 2 23 5.198 11.207 1.642 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.728 10.015 3.860 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.920 9.517 1.019 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.566 9.033 1.378 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 4.093 8.655 2.734 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.949 6.908 2.251 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 3.245 6.490 3.739 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 7.087 4.748 3.257 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.251 4.114 4.824 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.112 10.592 3.162 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.418 11.206 2.999 1.00 0.00 C ATOM 1211 C PRO 2 24 10.990 10.921 1.610 1.00 0.00 C ATOM 1212 O PRO 2 24 11.987 11.520 1.209 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.267 10.630 4.121 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.548 9.372 4.583 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.144 9.398 4.002 1.00 0.00 C ATOM 0 HA PRO 2 24 10.381 12.293 3.063 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.273 10.399 3.771 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.370 11.344 4.939 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.083 8.483 4.250 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.510 9.332 5.672 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.940 8.499 3.420 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.391 9.447 4.788 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.335 10.005 0.912 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.766 9.632 -0.425 1.00 0.00 C ATOM 1225 C HIS 2 25 9.677 9.999 -1.435 1.00 0.00 C ATOM 1226 O HIS 2 25 9.786 9.672 -2.616 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.151 8.152 -0.478 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.626 7.909 -0.695 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.382 7.106 0.140 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.473 8.370 -1.658 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.629 7.092 -0.310 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.683 7.877 -1.425 1.00 0.00 N ATOM 0 H HIS 2 25 9.509 9.510 1.247 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.663 10.190 -0.692 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.848 7.675 0.454 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.592 7.670 -1.280 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.205 9.026 -2.473 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.456 6.554 0.129 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.516 8.055 -1.986 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.653 10.673 -0.934 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.545 11.087 -1.780 1.00 0.00 C ATOM 1243 C VAL 2 26 8.087 11.555 -3.132 1.00 0.00 C ATOM 1244 O VAL 2 26 8.766 12.577 -3.213 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.715 12.157 -1.067 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.614 13.245 -0.476 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.671 12.759 -2.009 1.00 0.00 C ATOM 0 H VAL 2 26 8.566 10.943 0.046 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.876 10.248 -1.971 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.186 11.677 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.999 13.993 0.025 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.301 12.799 0.243 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.184 13.720 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.095 13.516 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.172 13.216 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.001 11.974 -2.360 1.00 0.00 H new ATOM 1257 N THR 2 27 7.768 10.783 -4.160 1.00 0.00 N ATOM 1258 CA THR 2 27 8.215 11.105 -5.504 1.00 0.00 C ATOM 1259 C THR 2 27 7.450 10.272 -6.534 1.00 0.00 C ATOM 1260 O THR 2 27 6.814 9.278 -6.186 1.00 0.00 O ATOM 1261 CB THR 2 27 9.730 10.900 -5.561 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.220 12.097 -6.158 1.00 0.00 O ATOM 1263 CG2 THR 2 27 10.136 9.800 -6.544 1.00 0.00 C ATOM 0 H THR 2 27 7.205 9.935 -4.089 1.00 0.00 H new ATOM 0 HA THR 2 27 8.004 12.145 -5.752 1.00 0.00 H new ATOM 0 HB THR 2 27 10.100 10.652 -4.566 1.00 0.00 H new ATOM 0 HG1 THR 2 27 11.196 12.050 -6.232 1.00 0.00 H new ATOM 0 HG21 THR 2 27 11.221 9.696 -6.545 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.681 8.856 -6.242 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.795 10.063 -7.545 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.539 10.719 -7.815 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.863 10.025 -8.899 1.00 0.00 C ATOM 1273 C PRO 2 28 7.595 8.732 -9.263 1.00 0.00 C ATOM 1274 O PRO 2 28 7.875 8.481 -10.434 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.822 11.026 -10.042 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.880 12.070 -9.720 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.282 11.892 -8.266 1.00 0.00 C ATOM 0 HA PRO 2 28 5.856 9.706 -8.631 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 7.031 10.540 -10.995 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.836 11.482 -10.126 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.745 11.951 -10.373 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.490 13.074 -9.888 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.357 11.741 -8.168 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 8.029 12.772 -7.675 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.884 7.944 -8.238 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.577 6.682 -8.435 1.00 0.00 C ATOM 1287 C LYS 2 29 8.777 5.999 -7.082 1.00 0.00 C ATOM 1288 O LYS 2 29 9.011 4.793 -7.021 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.878 6.902 -9.211 1.00 0.00 C ATOM 1290 CG LYS 2 29 10.133 5.754 -10.189 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.249 6.272 -11.624 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.728 5.238 -12.625 1.00 0.00 C ATOM 1293 NZ LYS 2 29 9.358 5.892 -13.901 1.00 0.00 N ATOM 0 H LYS 2 29 7.651 8.155 -7.268 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.977 6.009 -9.047 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.826 7.844 -9.756 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.712 6.983 -8.514 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 11.049 5.232 -9.912 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.321 5.029 -10.125 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.685 7.199 -11.726 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 11.290 6.506 -11.847 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 10.491 4.481 -12.805 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.862 4.724 -12.208 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 9.007 5.176 -14.569 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.614 6.598 -13.727 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 10.193 6.362 -14.305 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.677 6.797 -6.030 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.844 6.284 -4.681 1.00 0.00 C ATOM 1309 C GLU 2 30 7.480 6.016 -4.043 1.00 0.00 C ATOM 1310 O GLU 2 30 7.276 4.976 -3.419 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.671 7.246 -3.826 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.118 6.768 -3.705 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.781 6.672 -5.081 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.178 7.740 -5.595 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 11.875 5.533 -5.587 1.00 0.00 O ATOM 0 H GLU 2 30 8.482 7.797 -6.084 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.389 5.341 -4.737 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.649 8.242 -4.269 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.228 7.329 -2.834 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.680 7.456 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.143 5.794 -3.216 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.581 6.973 -4.220 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.242 6.854 -3.668 1.00 0.00 C ATOM 1324 C CYS 2 31 4.638 5.536 -4.155 1.00 0.00 C ATOM 1325 O CYS 2 31 4.233 4.699 -3.349 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.368 8.054 -4.041 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.900 9.646 -3.312 1.00 0.00 S ATOM 0 H CYS 2 31 6.754 7.835 -4.738 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.293 6.849 -2.579 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.356 8.153 -5.126 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.344 7.851 -3.728 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.597 5.391 -5.472 1.00 0.00 N ATOM 1333 CA ASN 2 32 4.048 4.188 -6.075 1.00 0.00 C ATOM 1334 C ASN 2 32 4.910 2.986 -5.681 1.00 0.00 C ATOM 1335 O ASN 2 32 4.538 1.841 -5.933 1.00 0.00 O ATOM 1336 CB ASN 2 32 4.048 4.289 -7.602 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.673 4.711 -8.122 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 2.213 4.274 -9.165 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 2.044 5.586 -7.342 1.00 0.00 N ATOM 0 H ASN 2 32 4.935 6.086 -6.138 1.00 0.00 H new ATOM 0 HA ASN 2 32 3.024 4.070 -5.721 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.799 5.011 -7.923 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 4.325 3.327 -8.034 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.121 5.931 -7.604 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.485 5.912 -6.482 1.00 0.00 H new ATOM 1346 N ASN 2 33 6.046 3.289 -5.070 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.964 2.248 -4.638 1.00 0.00 C ATOM 1348 C ASN 2 33 6.586 1.794 -3.227 1.00 0.00 C ATOM 1349 O ASN 2 33 6.678 0.610 -2.907 1.00 0.00 O ATOM 1350 CB ASN 2 33 8.403 2.765 -4.600 1.00 0.00 C ATOM 1351 CG ASN 2 33 9.385 1.687 -5.065 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 9.017 0.694 -5.668 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.653 1.939 -4.749 1.00 0.00 N ATOM 0 H ASN 2 33 6.352 4.240 -4.864 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.896 1.423 -5.347 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.494 3.645 -5.237 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.654 3.078 -3.587 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 11.385 1.280 -5.014 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.893 2.791 -4.242 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.170 2.759 -2.421 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.778 2.473 -1.051 1.00 0.00 C ATOM 1362 C ARG 2 34 4.325 1.998 -1.003 1.00 0.00 C ATOM 1363 O ARG 2 34 3.945 1.238 -0.114 1.00 0.00 O ATOM 1364 CB ARG 2 34 5.932 3.711 -0.164 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.087 4.590 -0.647 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.113 4.809 0.468 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.368 4.096 0.148 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.525 4.281 0.800 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.591 5.158 1.811 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.615 3.589 0.440 1.00 0.00 N ATOM 0 H ARG 2 34 6.096 3.740 -2.690 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.434 1.687 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.006 4.285 -0.171 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.110 3.405 0.867 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.571 4.122 -1.505 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 6.700 5.552 -0.984 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.311 5.874 0.587 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 7.713 4.451 1.417 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.353 3.421 -0.617 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 9.761 5.685 2.084 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.471 5.299 2.307 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 11.564 2.922 -0.330 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.495 3.730 0.936 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.549 2.467 -1.971 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.146 2.099 -2.051 1.00 0.00 C ATOM 1386 C GLY 2 35 1.251 3.336 -1.969 1.00 0.00 C ATOM 1387 O GLY 2 35 0.105 3.251 -1.527 1.00 0.00 O ATOM 0 H GLY 2 35 3.866 3.099 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.957 1.570 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.899 1.413 -1.241 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.804 4.458 -2.404 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.069 5.711 -2.387 1.00 0.00 C ATOM 1393 C CYS 2 36 0.807 6.134 -3.833 1.00 0.00 C ATOM 1394 O CYS 2 36 1.311 5.512 -4.768 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.814 6.793 -1.603 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.180 6.365 0.139 1.00 0.00 S ATOM 0 H CYS 2 36 2.753 4.526 -2.771 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.118 5.571 -1.872 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.752 7.011 -2.114 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.221 7.708 -1.621 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.018 7.190 -3.974 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.317 7.704 -5.292 1.00 0.00 C ATOM 1403 C CYS 2 37 0.226 9.129 -5.404 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.082 9.982 -4.573 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.822 7.644 -5.555 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.292 7.619 -7.324 1.00 0.00 S ATOM 0 H CYS 2 37 -0.399 7.703 -3.197 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.144 7.080 -6.057 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.225 6.753 -5.074 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.294 8.504 -5.080 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.025 9.344 -6.439 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.614 10.652 -6.670 1.00 0.00 C ATOM 1413 C PHE 2 38 0.740 11.488 -7.608 1.00 0.00 C ATOM 1414 O PHE 2 38 0.508 11.104 -8.753 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.974 10.419 -7.332 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.786 11.698 -7.553 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.395 12.307 -6.501 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.897 12.224 -8.803 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.147 13.493 -6.707 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.650 13.410 -9.008 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.259 14.020 -7.956 1.00 0.00 C ATOM 0 H PHE 2 38 1.278 8.635 -7.127 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.707 11.191 -5.727 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.555 9.734 -6.714 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.820 9.928 -8.293 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.307 11.889 -5.509 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.413 11.740 -9.638 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 5.631 13.977 -5.872 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.739 13.828 -10.000 1.00 0.00 H new ATOM 0 HZ PHE 2 38 5.831 14.922 -8.112 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.281 12.616 -7.087 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.562 13.510 -7.862 1.00 0.00 C ATOM 1433 C ASP 2 39 0.321 14.476 -8.656 1.00 0.00 C ATOM 1434 O ASP 2 39 0.595 14.247 -9.833 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.470 14.339 -6.953 1.00 0.00 C ATOM 1436 CG ASP 2 39 -2.305 15.403 -7.668 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -3.184 14.996 -8.459 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -2.047 16.598 -7.408 1.00 0.00 O ATOM 0 H ASP 2 39 0.477 12.932 -6.137 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.176 12.902 -8.526 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.144 13.664 -6.425 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.854 14.829 -6.199 1.00 0.00 H new ATOM 1443 N SER 2 40 0.741 15.534 -7.980 1.00 0.00 N ATOM 1444 CA SER 2 40 1.587 16.536 -8.607 1.00 0.00 C ATOM 1445 C SER 2 40 0.723 17.601 -9.284 1.00 0.00 C ATOM 1446 O SER 2 40 1.211 18.680 -9.620 1.00 0.00 O ATOM 1447 CB SER 2 40 2.535 15.897 -9.624 1.00 0.00 C ATOM 1448 OG SER 2 40 3.789 16.572 -9.681 1.00 0.00 O ATOM 0 H SER 2 40 0.512 15.720 -7.004 1.00 0.00 H new ATOM 0 HA SER 2 40 2.192 17.007 -7.832 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.697 14.852 -9.362 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.071 15.910 -10.610 1.00 0.00 H new ATOM 0 HG SER 2 40 4.486 16.000 -9.297 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.544 17.263 -9.463 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.481 18.178 -10.094 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.674 19.423 -9.226 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.741 20.538 -9.740 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.838 17.508 -10.320 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.701 16.282 -11.224 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.889 16.170 -12.181 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.433 16.345 -13.578 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.251 16.355 -14.639 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.571 16.199 -14.469 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -3.749 16.521 -15.871 1.00 0.00 N ATOM 0 H ARG 2 41 -0.945 16.368 -9.182 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.064 18.465 -11.060 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.265 17.212 -9.362 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.529 18.221 -10.770 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.775 16.349 -11.795 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.635 15.381 -10.614 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.369 15.198 -12.066 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.636 16.925 -11.936 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.434 16.466 -13.743 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.953 16.073 -13.532 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.194 16.207 -15.277 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -2.744 16.640 -16.001 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -4.372 16.529 -16.679 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.756 19.191 -7.924 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.939 20.279 -6.980 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.786 20.275 -5.974 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.698 19.386 -5.129 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.322 20.199 -6.330 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.332 19.538 -7.272 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.790 21.579 -5.864 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.764 19.753 -6.777 1.00 0.00 C ATOM 0 H ILE 2 42 -1.699 18.265 -7.501 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.910 21.239 -7.496 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.248 19.569 -5.444 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.224 19.951 -8.275 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.124 18.470 -7.343 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.775 21.494 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -3.084 21.976 -5.134 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.845 22.253 -6.719 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.462 19.274 -7.463 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.875 19.317 -5.784 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.976 20.821 -6.730 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.090 21.307 -6.101 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.234 21.431 -5.213 1.00 0.00 C ATOM 1499 C PRO 2 43 0.803 21.922 -3.829 1.00 0.00 C ATOM 1500 O PRO 2 43 1.619 21.995 -2.912 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.177 22.392 -5.917 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.331 23.129 -6.943 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.017 22.379 -7.090 1.00 0.00 C ATOM 0 HA PRO 2 43 1.727 20.477 -5.026 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.626 23.088 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 2.995 21.855 -6.398 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.151 24.155 -6.623 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.850 23.180 -7.900 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.835 23.033 -6.903 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.101 21.981 -8.098 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.477 22.246 -3.724 1.00 0.00 N ATOM 1512 CA GLY 2 44 -1.026 22.728 -2.467 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.615 21.577 -1.649 1.00 0.00 C ATOM 1514 O GLY 2 44 -2.014 21.767 -0.501 1.00 0.00 O ATOM 0 H GLY 2 44 -1.150 22.184 -4.488 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 -0.245 23.225 -1.892 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.799 23.471 -2.665 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.651 20.408 -2.271 1.00 0.00 N ATOM 1519 CA VAL 2 45 -2.184 19.227 -1.615 1.00 0.00 C ATOM 1520 C VAL 2 45 -1.102 18.147 -1.559 1.00 0.00 C ATOM 1521 O VAL 2 45 0.026 18.371 -1.995 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.456 18.761 -2.328 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -4.287 19.955 -2.802 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -3.121 17.828 -3.492 1.00 0.00 C ATOM 0 H VAL 2 45 -1.319 20.254 -3.223 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.468 19.457 -0.588 1.00 0.00 H new ATOM 0 HB VAL 2 45 -4.056 18.199 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -5.185 19.596 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.571 20.564 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.698 20.556 -3.495 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.042 17.512 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.491 18.353 -4.210 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.591 16.953 -3.116 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.493 16.969 -1.003 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.568 15.854 -0.884 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.345 15.180 -2.240 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.271 14.612 -2.815 1.00 0.00 O ATOM 1538 CB PRO 2 46 -1.199 14.928 0.142 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.665 15.323 0.216 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.820 16.668 -0.476 1.00 0.00 C ATOM 0 HA PRO 2 46 0.426 16.164 -0.563 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -1.090 13.885 -0.155 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.716 15.035 1.113 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.288 14.571 -0.268 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.991 15.388 1.254 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.561 16.620 -1.274 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -3.152 17.436 0.222 1.00 0.00 H new ATOM 1548 N TRP 2 47 0.892 15.265 -2.710 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.248 14.671 -3.987 1.00 0.00 C ATOM 1550 C TRP 2 47 1.716 13.238 -3.727 1.00 0.00 C ATOM 1551 O TRP 2 47 2.543 12.707 -4.467 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.294 15.520 -4.714 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.581 16.863 -4.041 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 1.932 18.023 -4.206 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 3.625 17.141 -3.084 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.478 19.025 -3.429 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.540 18.471 -2.725 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 4.609 16.296 -2.540 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.410 19.074 -1.808 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.469 16.914 -1.625 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.398 18.251 -1.253 1.00 0.00 C ATOM 0 H TRP 2 47 1.659 15.736 -2.229 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.385 14.640 -4.653 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.223 14.954 -4.783 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 1.955 15.701 -5.734 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.087 18.158 -4.865 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.160 19.993 -3.381 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 4.694 15.253 -2.807 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.324 20.117 -1.543 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.243 16.309 -1.176 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.101 18.654 -0.539 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.168 12.653 -2.672 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.520 11.291 -2.305 1.00 0.00 C ATOM 1574 C CYS 2 48 0.555 10.824 -1.214 1.00 0.00 C ATOM 1575 O CYS 2 48 0.596 11.320 -0.089 1.00 0.00 O ATOM 1576 CB CYS 2 48 2.980 11.184 -1.860 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.601 9.474 -1.668 1.00 0.00 S ATOM 0 H CYS 2 48 0.483 13.097 -2.060 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.426 10.641 -3.175 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.605 11.703 -2.586 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.095 11.706 -0.910 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.291 9.873 -1.584 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.265 9.333 -0.651 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.583 7.872 -0.975 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.887 7.243 -1.771 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.540 10.165 -0.803 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.740 10.745 -2.204 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.923 11.734 -2.655 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.737 10.272 -3.000 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -2.109 12.272 -3.955 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.924 10.811 -4.300 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -3.106 11.799 -4.750 1.00 0.00 C ATOM 0 H PHE 2 49 -0.322 9.463 -2.517 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.870 9.375 0.364 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.399 9.543 -0.552 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.516 10.982 -0.082 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -1.132 12.110 -2.023 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.386 9.486 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.459 13.057 -4.313 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.716 10.436 -4.931 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -3.248 12.209 -5.739 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.634 7.373 -0.341 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.053 5.998 -0.552 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.513 5.977 -1.006 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.395 5.563 -0.255 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.785 5.158 0.699 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.016 5.980 1.970 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.848 5.822 2.944 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.634 6.631 2.482 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.896 8.081 2.616 1.00 0.00 N ATOM 0 H LYS 2 50 -3.208 7.897 0.319 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.466 5.539 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.438 4.285 0.702 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.759 4.789 0.681 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.138 7.032 1.710 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.941 5.661 2.451 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -2.152 6.151 3.938 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -1.578 4.769 3.026 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 0.239 6.357 3.074 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.404 6.391 1.444 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.262 8.608 1.982 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.885 8.280 2.361 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -0.726 8.375 3.599 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.731 6.443 -2.265 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.069 6.481 -2.828 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.538 5.080 -3.227 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.016 4.320 -2.387 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.972 7.434 -4.008 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.493 7.531 -4.345 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.711 6.941 -3.183 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.816 6.827 -2.113 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.543 7.062 -4.859 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.380 8.413 -3.754 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.275 6.990 -5.266 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.206 8.570 -4.510 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.052 6.139 -3.516 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.082 7.693 -2.706 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.383 4.783 -4.508 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.784 3.486 -5.030 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.574 2.550 -5.040 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.421 1.739 -5.952 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.453 3.643 -6.396 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.520 3.608 -7.608 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.700 2.313 -8.403 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.711 4.850 -8.482 1.00 0.00 C ATOM 0 H LEU 2 52 -5.985 5.417 -5.201 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.535 3.030 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.193 2.851 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.995 4.589 -6.407 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.491 3.623 -7.248 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.025 2.315 -9.259 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.474 1.459 -7.764 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.730 2.241 -8.753 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.036 4.801 -9.337 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.741 4.892 -8.835 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.491 5.743 -7.898 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.746 2.694 -4.016 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.554 1.871 -3.897 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.917 0.390 -4.028 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.056 -0.441 -4.313 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.830 2.143 -2.577 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.364 3.597 -2.497 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.388 3.922 -3.630 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.412 4.992 -4.216 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.531 2.943 -3.905 1.00 0.00 N ATOM 0 H GLN 2 53 -4.877 3.368 -3.261 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.873 2.132 -4.707 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.495 1.924 -1.742 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.972 1.477 -2.485 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.226 4.262 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.883 3.776 -1.535 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.565 2.072 -3.376 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.160 3.063 -4.645 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.192 0.104 -3.813 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.680 -1.261 -3.905 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.052 -1.971 -5.106 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.972 -3.198 -5.135 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.207 -1.295 -3.985 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.694 -0.837 -5.361 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.195 -1.086 -5.523 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.632 -2.190 -5.133 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.870 -0.167 -6.034 1.00 0.00 O ATOM 0 H GLU 2 54 -5.903 0.795 -3.575 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.385 -1.791 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.563 -2.306 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.630 -0.652 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.482 0.224 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.147 -1.369 -6.140 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.622 -1.167 -6.068 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.003 -1.702 -7.268 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.220 -2.968 -6.914 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.515 -4.048 -7.423 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.118 -0.631 -7.908 1.00 0.00 C ATOM 0 H ALA 2 55 -4.690 -0.150 -6.040 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.763 -1.978 -7.999 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.654 -1.033 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.726 0.235 -8.169 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.343 -0.331 -7.203 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.238 -2.793 -6.041 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.411 -3.907 -5.612 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.989 -3.725 -4.153 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.045 -4.363 -3.691 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.189 -4.066 -6.520 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.283 -5.351 -7.345 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.804 -5.392 -8.421 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 1.903 -5.894 -8.099 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 0.511 -4.922 -9.542 1.00 0.00 O ATOM 0 H GLU 2 56 -1.997 -1.896 -5.620 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.001 -4.821 -5.688 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.112 -3.207 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.718 -4.083 -5.916 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.184 -6.216 -6.690 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.265 -5.416 -7.813 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.709 -2.849 -3.468 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.421 -2.574 -2.070 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.346 -3.438 -1.209 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.886 -4.139 -0.311 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.565 -1.086 -1.745 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.144 -0.354 -0.854 1.00 0.00 S ATOM 0 H CYS 2 57 -2.491 -2.320 -3.855 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.383 -2.828 -1.854 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.714 -0.538 -2.675 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.464 -0.945 -1.145 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.633 -3.357 -1.516 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.626 -4.122 -0.782 1.00 0.00 C ATOM 1726 C THR 2 58 -4.507 -5.611 -1.117 1.00 0.00 C ATOM 1727 O THR 2 58 -4.750 -6.464 -0.266 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.003 -3.536 -1.100 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.810 -3.928 0.007 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.665 -4.214 -2.301 1.00 0.00 C ATOM 0 H THR 2 58 -4.010 -2.773 -2.263 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.466 -4.049 0.294 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.907 -2.468 -1.294 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.721 -3.588 -0.116 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.639 -3.761 -2.483 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.036 -4.089 -3.182 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.792 -5.277 -2.094 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.132 -5.877 -2.361 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.979 -7.247 -2.819 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.488 -8.151 -1.687 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.716 -9.080 -1.920 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.931 -7.230 -3.934 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.456 -7.710 -5.288 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.664 -7.278 -5.740 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -2.716 -8.568 -6.040 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.152 -7.723 -6.998 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.203 -9.012 -7.297 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.411 -8.581 -7.750 1.00 0.00 C ATOM 0 H PHE 2 59 -3.930 -5.167 -3.065 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.937 -7.633 -3.167 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.548 -6.215 -4.043 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.091 -7.858 -3.638 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.252 -6.597 -5.143 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -1.757 -8.912 -5.681 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.111 -7.380 -7.357 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -2.614 -9.692 -7.894 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -4.782 -8.920 -8.706 1.00 0.00 H new TER 1758 PHE 2 59