USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 HIS : no HD1:sc= 0.333 K(o=0.021,f=-2.2!) USER MOD Set 1.2: A 65 MET CE :methyl -111:sc= -0.312 (180deg=-4.48!) USER MOD Set 2.1: A 56 LYS NZ :NH3+ -166:sc= 0.304 (180deg=-0.187) USER MOD Set 2.2: A 61 CYS SG : rot 160:sc= 0.611 USER MOD Set 3.1: A 54 SER OG : rot -136:sc= -0.208 USER MOD Set 3.2: A 63 HIS : no HD1:sc= 0.405 K(o=0.2,f=-8.3!) USER MOD Set 4.1: A 35 GLN : amide:sc= -0.0513 X(o=0.18,f=0.02) USER MOD Set 4.2: A 39 SER OG : rot 97:sc= 0.228 USER MOD Set 5.1: A 20 HIS : no HE2:sc= -10.6! C(o=-14!,f=-18!) USER MOD Set 5.2: A 111 GLN : amide:sc= -3.55! C(o=-14!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 154:sc=0.000531 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.39) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -29:sc= 1.06 USER MOD Single : A 46 HIS : no HE2:sc= -0.993 K(o=-0.99,f=-5.2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0357 USER MOD Single : A 55 TYR OH : rot 90:sc= 0.628 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0778 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 25:sc= -0.423 USER MOD Single : A 67 LYS NZ :NH3+ 134:sc= -0.242 (180deg=-0.975) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.96 USER MOD Single : A 75 MET CE :methyl -102:sc= -3.07! (180deg=-6.39!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -3.72! K(o=-3.7!,f=-2.9) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 25:sc= 0.155 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -3.88! K(o=-3.9!,f=-3.2) USER MOD Single : A 94 GLN : amide:sc= -0.849 K(o=-0.85,f=-3.8!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 139:sc= -1.53 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 CYS SG : rot -70:sc= -1.09 USER MOD Single : A 112 LYS NZ :NH3+ -135:sc= -0.664 (180deg=-1.61) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 3:sc= 0.272 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.874 -12.250 -35.487 1.00 0.00 N ATOM 2 CA GLY A 1 8.898 -11.305 -34.975 1.00 0.00 C ATOM 3 C GLY A 1 7.714 -11.133 -35.904 1.00 0.00 C ATOM 4 O GLY A 1 7.877 -11.066 -37.123 1.00 0.00 O ATOM 0 H1 GLY A 1 10.812 -12.026 -35.097 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.603 -13.214 -35.207 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.907 -12.187 -36.525 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.545 -11.644 -34.001 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.379 -10.339 -34.821 1.00 0.00 H new ATOM 8 N SER A 2 6.517 -11.062 -35.331 1.00 0.00 N ATOM 9 CA SER A 2 5.300 -10.903 -36.117 1.00 0.00 C ATOM 10 C SER A 2 4.763 -9.479 -36.004 1.00 0.00 C ATOM 11 O SER A 2 4.564 -8.797 -37.009 1.00 0.00 O ATOM 12 CB SER A 2 4.234 -11.899 -35.656 1.00 0.00 C ATOM 13 OG SER A 2 4.422 -13.165 -36.266 1.00 0.00 O ATOM 0 H SER A 2 6.364 -11.112 -34.324 1.00 0.00 H new ATOM 0 HA SER A 2 5.544 -11.100 -37.161 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.275 -12.004 -34.572 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.243 -11.516 -35.902 1.00 0.00 H new ATOM 0 HG SER A 2 3.730 -13.784 -35.954 1.00 0.00 H new ATOM 19 N SER A 3 4.530 -9.037 -34.773 1.00 0.00 N ATOM 20 CA SER A 3 4.013 -7.696 -34.526 1.00 0.00 C ATOM 21 C SER A 3 5.145 -6.674 -34.493 1.00 0.00 C ATOM 22 O SER A 3 6.145 -6.862 -33.801 1.00 0.00 O ATOM 23 CB SER A 3 3.238 -7.659 -33.209 1.00 0.00 C ATOM 24 OG SER A 3 4.108 -7.817 -32.100 1.00 0.00 O ATOM 0 H SER A 3 4.691 -9.588 -33.930 1.00 0.00 H new ATOM 0 HA SER A 3 3.339 -7.438 -35.343 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.704 -6.713 -33.124 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.488 -8.450 -33.202 1.00 0.00 H new ATOM 0 HG SER A 3 3.588 -7.788 -31.270 1.00 0.00 H new ATOM 30 N GLY A 4 4.980 -5.591 -35.246 1.00 0.00 N ATOM 31 CA GLY A 4 5.995 -4.555 -35.289 1.00 0.00 C ATOM 32 C GLY A 4 5.635 -3.354 -34.437 1.00 0.00 C ATOM 33 O GLY A 4 4.874 -3.472 -33.476 1.00 0.00 O ATOM 0 H GLY A 4 4.161 -5.413 -35.827 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.945 -4.967 -34.948 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.139 -4.234 -36.321 1.00 0.00 H new ATOM 37 N SER A 5 6.185 -2.196 -34.787 1.00 0.00 N ATOM 38 CA SER A 5 5.920 -0.969 -34.044 1.00 0.00 C ATOM 39 C SER A 5 4.728 -0.223 -34.634 1.00 0.00 C ATOM 40 O SER A 5 4.565 -0.154 -35.851 1.00 0.00 O ATOM 41 CB SER A 5 7.157 -0.067 -34.052 1.00 0.00 C ATOM 42 OG SER A 5 7.500 0.314 -35.373 1.00 0.00 O ATOM 0 H SER A 5 6.816 -2.081 -35.580 1.00 0.00 H new ATOM 0 HA SER A 5 5.683 -1.240 -33.015 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.967 0.822 -33.451 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.995 -0.590 -33.591 1.00 0.00 H new ATOM 0 HG SER A 5 8.292 0.891 -35.352 1.00 0.00 H new ATOM 48 N SER A 6 3.896 0.335 -33.759 1.00 0.00 N ATOM 49 CA SER A 6 2.716 1.074 -34.192 1.00 0.00 C ATOM 50 C SER A 6 1.953 0.300 -35.262 1.00 0.00 C ATOM 51 O SER A 6 1.585 0.850 -36.299 1.00 0.00 O ATOM 52 CB SER A 6 3.118 2.449 -34.730 1.00 0.00 C ATOM 53 OG SER A 6 3.612 3.279 -33.693 1.00 0.00 O ATOM 0 H SER A 6 4.018 0.289 -32.747 1.00 0.00 H new ATOM 0 HA SER A 6 2.063 1.206 -33.329 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.880 2.333 -35.501 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.258 2.924 -35.201 1.00 0.00 H new ATOM 0 HG SER A 6 3.863 4.151 -34.063 1.00 0.00 H new ATOM 59 N GLY A 7 1.716 -0.982 -35.001 1.00 0.00 N ATOM 60 CA GLY A 7 0.998 -1.813 -35.950 1.00 0.00 C ATOM 61 C GLY A 7 -0.391 -2.177 -35.466 1.00 0.00 C ATOM 62 O GLY A 7 -0.561 -3.122 -34.697 1.00 0.00 O ATOM 0 H GLY A 7 2.009 -1.460 -34.149 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.922 -1.289 -36.903 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.566 -2.725 -36.133 1.00 0.00 H new ATOM 66 N GLY A 8 -1.390 -1.422 -35.917 1.00 0.00 N ATOM 67 CA GLY A 8 -2.758 -1.686 -35.513 1.00 0.00 C ATOM 68 C GLY A 8 -3.351 -0.552 -34.699 1.00 0.00 C ATOM 69 O GLY A 8 -2.727 -0.065 -33.757 1.00 0.00 O ATOM 0 H GLY A 8 -1.275 -0.634 -36.554 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.370 -1.852 -36.400 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.790 -2.605 -34.928 1.00 0.00 H new ATOM 73 N GLN A 9 -4.557 -0.131 -35.064 1.00 0.00 N ATOM 74 CA GLN A 9 -5.232 0.954 -34.361 1.00 0.00 C ATOM 75 C GLN A 9 -6.128 0.410 -33.252 1.00 0.00 C ATOM 76 O GLN A 9 -7.346 0.589 -33.282 1.00 0.00 O ATOM 77 CB GLN A 9 -6.061 1.787 -35.340 1.00 0.00 C ATOM 78 CG GLN A 9 -5.282 2.927 -35.979 1.00 0.00 C ATOM 79 CD GLN A 9 -4.685 3.871 -34.955 1.00 0.00 C ATOM 80 OE1 GLN A 9 -5.337 4.240 -33.978 1.00 0.00 O ATOM 81 NE2 GLN A 9 -3.437 4.269 -35.175 1.00 0.00 N ATOM 0 H GLN A 9 -5.087 -0.524 -35.842 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.470 1.589 -33.909 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.445 1.135 -36.125 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -6.924 2.197 -34.816 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.484 2.515 -36.597 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.942 3.486 -36.642 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.934 3.938 -35.998 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.982 4.906 -34.521 1.00 0.00 H new ATOM 90 N LEU A 10 -5.518 -0.252 -32.277 1.00 0.00 N ATOM 91 CA LEU A 10 -6.260 -0.822 -31.158 1.00 0.00 C ATOM 92 C LEU A 10 -5.621 -0.438 -29.827 1.00 0.00 C ATOM 93 O LEU A 10 -4.397 -0.423 -29.698 1.00 0.00 O ATOM 94 CB LEU A 10 -6.323 -2.346 -31.286 1.00 0.00 C ATOM 95 CG LEU A 10 -7.382 -2.896 -32.241 1.00 0.00 C ATOM 96 CD1 LEU A 10 -7.094 -4.351 -32.577 1.00 0.00 C ATOM 97 CD2 LEU A 10 -8.772 -2.749 -31.640 1.00 0.00 C ATOM 0 H LEU A 10 -4.511 -0.408 -32.238 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.272 -0.419 -31.183 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.347 -2.704 -31.613 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.501 -2.767 -30.296 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.346 -2.318 -33.164 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.858 -4.725 -33.258 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.116 -4.428 -33.052 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.101 -4.944 -31.662 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.512 -3.146 -32.334 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.823 -3.300 -30.701 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.978 -1.695 -31.453 1.00 0.00 H new ATOM 109 N ALA A 11 -6.457 -0.131 -28.842 1.00 0.00 N ATOM 110 CA ALA A 11 -5.974 0.248 -27.520 1.00 0.00 C ATOM 111 C ALA A 11 -7.095 0.188 -26.487 1.00 0.00 C ATOM 112 O ALA A 11 -8.262 0.408 -26.812 1.00 0.00 O ATOM 113 CB ALA A 11 -5.365 1.642 -27.561 1.00 0.00 C ATOM 0 H ALA A 11 -7.473 -0.137 -28.934 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.204 -0.465 -27.223 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.008 1.913 -26.567 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.530 1.654 -28.262 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.120 2.359 -27.883 1.00 0.00 H new ATOM 119 N GLN A 12 -6.732 -0.112 -25.244 1.00 0.00 N ATOM 120 CA GLN A 12 -7.709 -0.202 -24.165 1.00 0.00 C ATOM 121 C GLN A 12 -7.109 0.276 -22.847 1.00 0.00 C ATOM 122 O GLN A 12 -6.250 -0.390 -22.267 1.00 0.00 O ATOM 123 CB GLN A 12 -8.209 -1.640 -24.020 1.00 0.00 C ATOM 124 CG GLN A 12 -7.104 -2.642 -23.732 1.00 0.00 C ATOM 125 CD GLN A 12 -7.559 -4.079 -23.901 1.00 0.00 C ATOM 126 OE1 GLN A 12 -8.388 -4.573 -23.137 1.00 0.00 O ATOM 127 NE2 GLN A 12 -7.018 -4.757 -24.907 1.00 0.00 N ATOM 0 H GLN A 12 -5.770 -0.297 -24.959 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.551 0.444 -24.416 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.944 -1.681 -23.216 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.723 -1.931 -24.936 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.263 -2.451 -24.398 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.743 -2.497 -22.714 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.334 -4.307 -25.516 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.286 -5.727 -25.071 1.00 0.00 H new ATOM 136 N ASP A 13 -7.566 1.431 -22.379 1.00 0.00 N ATOM 137 CA ASP A 13 -7.075 1.998 -21.128 1.00 0.00 C ATOM 138 C ASP A 13 -8.219 2.210 -20.141 1.00 0.00 C ATOM 139 O ASP A 13 -9.129 2.999 -20.390 1.00 0.00 O ATOM 140 CB ASP A 13 -6.359 3.324 -21.389 1.00 0.00 C ATOM 141 CG ASP A 13 -7.078 4.177 -22.416 1.00 0.00 C ATOM 142 OD1 ASP A 13 -8.327 4.139 -22.450 1.00 0.00 O ATOM 143 OD2 ASP A 13 -6.394 4.884 -23.184 1.00 0.00 O ATOM 0 H ASP A 13 -8.276 1.994 -22.847 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.368 1.292 -20.692 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.275 3.879 -20.454 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.344 3.124 -21.733 1.00 0.00 H new ATOM 148 N GLY A 14 -8.166 1.497 -19.019 1.00 0.00 N ATOM 149 CA GLY A 14 -9.204 1.621 -18.013 1.00 0.00 C ATOM 150 C GLY A 14 -8.642 1.718 -16.609 1.00 0.00 C ATOM 151 O GLY A 14 -9.152 1.089 -15.682 1.00 0.00 O ATOM 0 H GLY A 14 -7.423 0.837 -18.790 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.805 2.506 -18.222 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.871 0.761 -18.075 1.00 0.00 H new ATOM 155 N VAL A 15 -7.584 2.508 -16.450 1.00 0.00 N ATOM 156 CA VAL A 15 -6.950 2.685 -15.149 1.00 0.00 C ATOM 157 C VAL A 15 -6.657 4.156 -14.877 1.00 0.00 C ATOM 158 O VAL A 15 -6.218 4.900 -15.754 1.00 0.00 O ATOM 159 CB VAL A 15 -5.638 1.884 -15.050 1.00 0.00 C ATOM 160 CG1 VAL A 15 -4.961 2.134 -13.711 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.903 0.401 -15.255 1.00 0.00 C ATOM 0 H VAL A 15 -7.148 3.035 -17.206 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.651 2.313 -14.402 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.965 2.221 -15.839 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.036 1.560 -13.658 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.736 3.196 -13.610 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.626 1.825 -12.904 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.965 -0.150 -15.182 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.593 0.046 -14.490 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.341 0.242 -16.241 1.00 0.00 H new ATOM 171 N PRO A 16 -6.903 4.588 -13.631 1.00 0.00 N ATOM 172 CA PRO A 16 -6.673 5.974 -13.213 1.00 0.00 C ATOM 173 C PRO A 16 -5.189 6.318 -13.143 1.00 0.00 C ATOM 174 O PRO A 16 -4.333 5.460 -13.358 1.00 0.00 O ATOM 175 CB PRO A 16 -7.302 6.034 -11.819 1.00 0.00 C ATOM 176 CG PRO A 16 -7.257 4.629 -11.323 1.00 0.00 C ATOM 177 CD PRO A 16 -7.427 3.756 -12.535 1.00 0.00 C ATOM 0 HA PRO A 16 -7.098 6.688 -13.918 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.747 6.704 -11.162 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.326 6.406 -11.862 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.311 4.422 -10.823 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.049 4.446 -10.596 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.873 2.822 -12.439 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.472 3.491 -12.696 1.00 0.00 H new ATOM 185 N GLU A 17 -4.892 7.579 -12.842 1.00 0.00 N ATOM 186 CA GLU A 17 -3.511 8.035 -12.745 1.00 0.00 C ATOM 187 C GLU A 17 -2.952 7.785 -11.346 1.00 0.00 C ATOM 188 O GLU A 17 -1.809 7.356 -11.191 1.00 0.00 O ATOM 189 CB GLU A 17 -3.416 9.524 -13.084 1.00 0.00 C ATOM 190 CG GLU A 17 -4.591 10.340 -12.571 1.00 0.00 C ATOM 191 CD GLU A 17 -5.741 10.394 -13.559 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.486 10.241 -14.772 1.00 0.00 O ATOM 193 OE2 GLU A 17 -6.893 10.589 -13.119 1.00 0.00 O ATOM 0 H GLU A 17 -5.589 8.302 -12.661 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.918 7.468 -13.462 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.494 9.926 -12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.349 9.638 -14.166 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.943 9.912 -11.632 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.256 11.354 -12.353 1.00 0.00 H new ATOM 200 N TRP A 18 -3.767 8.057 -10.334 1.00 0.00 N ATOM 201 CA TRP A 18 -3.354 7.863 -8.948 1.00 0.00 C ATOM 202 C TRP A 18 -2.967 6.410 -8.694 1.00 0.00 C ATOM 203 O TRP A 18 -2.370 6.087 -7.667 1.00 0.00 O ATOM 204 CB TRP A 18 -4.478 8.278 -7.997 1.00 0.00 C ATOM 205 CG TRP A 18 -5.791 7.626 -8.308 1.00 0.00 C ATOM 206 CD1 TRP A 18 -6.777 8.115 -9.118 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.261 6.366 -7.817 1.00 0.00 C ATOM 208 NE1 TRP A 18 -7.833 7.235 -9.157 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.540 6.154 -8.368 1.00 0.00 C ATOM 210 CE3 TRP A 18 -5.725 5.396 -6.966 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.289 5.013 -8.093 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.470 4.264 -6.694 1.00 0.00 C ATOM 213 CH2 TRP A 18 -7.740 4.080 -7.257 1.00 0.00 C ATOM 0 H TRP A 18 -4.717 8.412 -10.446 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.481 8.490 -8.763 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.190 8.029 -6.976 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.599 9.360 -8.040 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.733 9.054 -9.649 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.694 7.366 -9.687 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.746 5.528 -6.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.269 4.870 -8.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.066 3.508 -6.036 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.296 3.184 -7.026 1.00 0.00 H new ATOM 224 N PHE A 19 -3.310 5.538 -9.636 1.00 0.00 N ATOM 225 CA PHE A 19 -2.998 4.118 -9.513 1.00 0.00 C ATOM 226 C PHE A 19 -1.738 3.768 -10.298 1.00 0.00 C ATOM 227 O PHE A 19 -1.697 3.904 -11.522 1.00 0.00 O ATOM 228 CB PHE A 19 -4.173 3.271 -10.008 1.00 0.00 C ATOM 229 CG PHE A 19 -4.007 1.803 -9.742 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.199 1.290 -8.469 1.00 0.00 C ATOM 231 CD2 PHE A 19 -3.660 0.934 -10.765 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.046 -0.061 -8.222 1.00 0.00 C ATOM 233 CE2 PHE A 19 -3.506 -0.418 -10.523 1.00 0.00 C ATOM 234 CZ PHE A 19 -3.701 -0.916 -9.249 1.00 0.00 C ATOM 0 H PHE A 19 -3.804 5.789 -10.493 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.821 3.901 -8.460 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.088 3.618 -9.528 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.296 3.426 -11.080 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.471 1.953 -7.661 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.508 1.318 -11.763 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.196 -0.448 -7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.234 -1.084 -11.328 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.584 -1.972 -9.057 1.00 0.00 H new ATOM 244 N HIS A 20 -0.709 3.319 -9.587 1.00 0.00 N ATOM 245 CA HIS A 20 0.553 2.949 -10.216 1.00 0.00 C ATOM 246 C HIS A 20 0.768 1.439 -10.158 1.00 0.00 C ATOM 247 O HIS A 20 1.893 0.957 -10.281 1.00 0.00 O ATOM 248 CB HIS A 20 1.718 3.667 -9.533 1.00 0.00 C ATOM 249 CG HIS A 20 1.590 5.159 -9.545 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.380 5.976 -10.326 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.757 5.982 -8.866 1.00 0.00 C ATOM 252 CE1 HIS A 20 2.040 7.237 -10.125 1.00 0.00 C ATOM 253 NE2 HIS A 20 1.057 7.268 -9.244 1.00 0.00 N ATOM 0 H HIS A 20 -0.725 3.203 -8.574 1.00 0.00 H new ATOM 0 HA HIS A 20 0.511 3.253 -11.262 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.790 3.325 -8.501 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.648 3.386 -10.028 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.113 5.657 -10.960 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.002 5.683 -8.159 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.490 8.096 -10.600 1.00 0.00 H new ATOM 261 N GLY A 21 -0.320 0.698 -9.970 1.00 0.00 N ATOM 262 CA GLY A 21 -0.230 -0.748 -9.899 1.00 0.00 C ATOM 263 C GLY A 21 0.495 -1.223 -8.655 1.00 0.00 C ATOM 264 O GLY A 21 -0.047 -1.166 -7.553 1.00 0.00 O ATOM 0 H GLY A 21 -1.262 1.074 -9.866 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.234 -1.173 -9.915 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.288 -1.121 -10.783 1.00 0.00 H new ATOM 268 N ALA A 22 1.725 -1.695 -8.833 1.00 0.00 N ATOM 269 CA ALA A 22 2.525 -2.182 -7.716 1.00 0.00 C ATOM 270 C ALA A 22 3.901 -1.523 -7.699 1.00 0.00 C ATOM 271 O ALA A 22 4.887 -2.112 -8.143 1.00 0.00 O ATOM 272 CB ALA A 22 2.664 -3.695 -7.785 1.00 0.00 C ATOM 0 H ALA A 22 2.189 -1.750 -9.740 1.00 0.00 H new ATOM 0 HA ALA A 22 2.012 -1.918 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.264 -4.044 -6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.676 -4.154 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.152 -3.973 -8.719 1.00 0.00 H new ATOM 278 N ILE A 23 3.960 -0.300 -7.183 1.00 0.00 N ATOM 279 CA ILE A 23 5.216 0.438 -7.109 1.00 0.00 C ATOM 280 C ILE A 23 5.886 0.245 -5.753 1.00 0.00 C ATOM 281 O ILE A 23 5.306 -0.344 -4.840 1.00 0.00 O ATOM 282 CB ILE A 23 5.000 1.942 -7.352 1.00 0.00 C ATOM 283 CG1 ILE A 23 3.989 2.504 -6.351 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.530 2.186 -8.779 1.00 0.00 C ATOM 285 CD1 ILE A 23 4.102 3.999 -6.152 1.00 0.00 C ATOM 0 H ILE A 23 3.154 0.201 -6.810 1.00 0.00 H new ATOM 0 HA ILE A 23 5.862 0.041 -7.892 1.00 0.00 H new ATOM 0 HB ILE A 23 5.950 2.457 -7.209 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.982 2.266 -6.692 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.126 2.007 -5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.382 3.254 -8.936 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.281 1.818 -9.478 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.590 1.661 -8.947 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.355 4.327 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.097 4.242 -5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.935 4.506 -7.102 1.00 0.00 H new ATOM 297 N SER A 24 7.110 0.746 -5.627 1.00 0.00 N ATOM 298 CA SER A 24 7.861 0.628 -4.383 1.00 0.00 C ATOM 299 C SER A 24 7.833 1.940 -3.604 1.00 0.00 C ATOM 300 O SER A 24 7.578 3.003 -4.169 1.00 0.00 O ATOM 301 CB SER A 24 9.308 0.224 -4.672 1.00 0.00 C ATOM 302 OG SER A 24 9.387 -1.131 -5.080 1.00 0.00 O ATOM 0 H SER A 24 7.603 1.238 -6.372 1.00 0.00 H new ATOM 0 HA SER A 24 7.390 -0.145 -3.776 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.720 0.866 -5.451 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.916 0.375 -3.780 1.00 0.00 H new ATOM 0 HG SER A 24 10.322 -1.364 -5.260 1.00 0.00 H new ATOM 308 N ARG A 25 8.099 1.855 -2.305 1.00 0.00 N ATOM 309 CA ARG A 25 8.104 3.034 -1.448 1.00 0.00 C ATOM 310 C ARG A 25 8.866 4.182 -2.106 1.00 0.00 C ATOM 311 O ARG A 25 8.340 5.284 -2.252 1.00 0.00 O ATOM 312 CB ARG A 25 8.730 2.703 -0.092 1.00 0.00 C ATOM 313 CG ARG A 25 8.941 3.920 0.794 1.00 0.00 C ATOM 314 CD ARG A 25 7.619 4.549 1.201 1.00 0.00 C ATOM 315 NE ARG A 25 7.078 3.949 2.417 1.00 0.00 N ATOM 316 CZ ARG A 25 7.605 4.128 3.623 1.00 0.00 C ATOM 317 NH1 ARG A 25 8.681 4.889 3.773 1.00 0.00 N ATOM 318 NH2 ARG A 25 7.055 3.549 4.682 1.00 0.00 N ATOM 0 H ARG A 25 8.314 0.982 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 25 7.071 3.346 -1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.091 1.991 0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.689 2.211 -0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.497 3.630 1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.547 4.655 0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.759 5.619 1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.899 4.436 0.390 1.00 0.00 H new ATOM 0 HE ARG A 25 6.249 3.360 2.336 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.105 5.338 2.961 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.084 5.025 4.700 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.226 2.965 4.571 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.461 3.688 5.607 1.00 0.00 H new ATOM 332 N GLU A 26 10.106 3.912 -2.500 1.00 0.00 N ATOM 333 CA GLU A 26 10.940 4.923 -3.141 1.00 0.00 C ATOM 334 C GLU A 26 10.240 5.510 -4.362 1.00 0.00 C ATOM 335 O GLU A 26 10.239 6.724 -4.567 1.00 0.00 O ATOM 336 CB GLU A 26 12.286 4.321 -3.549 1.00 0.00 C ATOM 337 CG GLU A 26 12.160 3.105 -4.453 1.00 0.00 C ATOM 338 CD GLU A 26 13.505 2.580 -4.913 1.00 0.00 C ATOM 339 OE1 GLU A 26 14.294 2.130 -4.056 1.00 0.00 O ATOM 340 OE2 GLU A 26 13.770 2.618 -6.134 1.00 0.00 O ATOM 0 H GLU A 26 10.555 3.003 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 26 11.112 5.725 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.876 5.083 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.836 4.040 -2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.628 2.316 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.558 3.365 -5.324 1.00 0.00 H new ATOM 347 N ASP A 27 9.649 4.639 -5.173 1.00 0.00 N ATOM 348 CA ASP A 27 8.945 5.070 -6.375 1.00 0.00 C ATOM 349 C ASP A 27 7.864 6.091 -6.036 1.00 0.00 C ATOM 350 O ASP A 27 7.864 7.207 -6.555 1.00 0.00 O ATOM 351 CB ASP A 27 8.324 3.868 -7.087 1.00 0.00 C ATOM 352 CG ASP A 27 9.349 3.053 -7.851 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.403 3.616 -8.212 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.097 1.853 -8.087 1.00 0.00 O ATOM 0 H ASP A 27 9.644 3.631 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 27 9.668 5.542 -7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.831 3.230 -6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.554 4.216 -7.776 1.00 0.00 H new ATOM 359 N ALA A 28 6.941 5.699 -5.162 1.00 0.00 N ATOM 360 CA ALA A 28 5.855 6.581 -4.753 1.00 0.00 C ATOM 361 C ALA A 28 6.383 7.952 -4.346 1.00 0.00 C ATOM 362 O ALA A 28 5.910 8.979 -4.832 1.00 0.00 O ATOM 363 CB ALA A 28 5.071 5.955 -3.609 1.00 0.00 C ATOM 0 H ALA A 28 6.924 4.778 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 28 5.190 6.716 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.263 6.624 -3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.653 5.002 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.735 5.790 -2.760 1.00 0.00 H new ATOM 369 N GLU A 29 7.365 7.961 -3.451 1.00 0.00 N ATOM 370 CA GLU A 29 7.957 9.208 -2.978 1.00 0.00 C ATOM 371 C GLU A 29 8.543 10.006 -4.139 1.00 0.00 C ATOM 372 O GLU A 29 8.496 11.236 -4.147 1.00 0.00 O ATOM 373 CB GLU A 29 9.044 8.922 -1.941 1.00 0.00 C ATOM 374 CG GLU A 29 8.498 8.513 -0.583 1.00 0.00 C ATOM 375 CD GLU A 29 9.436 8.867 0.554 1.00 0.00 C ATOM 376 OE1 GLU A 29 9.353 10.007 1.058 1.00 0.00 O ATOM 377 OE2 GLU A 29 10.253 8.006 0.940 1.00 0.00 O ATOM 0 H GLU A 29 7.768 7.120 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 29 7.169 9.801 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.692 8.130 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.663 9.811 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.536 9.000 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.316 7.438 -0.578 1.00 0.00 H new ATOM 384 N ASN A 30 9.094 9.297 -5.118 1.00 0.00 N ATOM 385 CA ASN A 30 9.691 9.939 -6.284 1.00 0.00 C ATOM 386 C ASN A 30 8.614 10.448 -7.236 1.00 0.00 C ATOM 387 O ASN A 30 8.838 11.387 -8.001 1.00 0.00 O ATOM 388 CB ASN A 30 10.613 8.960 -7.015 1.00 0.00 C ATOM 389 CG ASN A 30 12.025 8.971 -6.462 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.316 9.668 -5.489 1.00 0.00 O ATOM 391 ND2 ASN A 30 12.910 8.199 -7.081 1.00 0.00 N ATOM 0 H ASN A 30 9.140 8.278 -5.128 1.00 0.00 H new ATOM 0 HA ASN A 30 10.277 10.791 -5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.203 7.953 -6.937 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.639 9.213 -8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.876 8.167 -6.754 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.624 7.638 -7.884 1.00 0.00 H new ATOM 398 N LEU A 31 7.443 9.823 -7.184 1.00 0.00 N ATOM 399 CA LEU A 31 6.328 10.212 -8.042 1.00 0.00 C ATOM 400 C LEU A 31 5.680 11.499 -7.541 1.00 0.00 C ATOM 401 O LEU A 31 5.112 12.264 -8.320 1.00 0.00 O ATOM 402 CB LEU A 31 5.289 9.092 -8.099 1.00 0.00 C ATOM 403 CG LEU A 31 5.482 8.054 -9.205 1.00 0.00 C ATOM 404 CD1 LEU A 31 4.851 6.728 -8.808 1.00 0.00 C ATOM 405 CD2 LEU A 31 4.893 8.554 -10.516 1.00 0.00 C ATOM 0 H LEU A 31 7.240 9.045 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 31 6.717 10.389 -9.045 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.288 8.575 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.304 9.543 -8.219 1.00 0.00 H new ATOM 0 HG LEU A 31 6.551 7.898 -9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.998 6.001 -9.607 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.318 6.362 -7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.784 6.869 -8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.040 7.802 -11.291 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.827 8.740 -10.388 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.390 9.479 -10.809 1.00 0.00 H new ATOM 417 N LEU A 32 5.770 11.731 -6.235 1.00 0.00 N ATOM 418 CA LEU A 32 5.193 12.927 -5.630 1.00 0.00 C ATOM 419 C LEU A 32 6.244 14.022 -5.481 1.00 0.00 C ATOM 420 O LEU A 32 5.919 15.208 -5.460 1.00 0.00 O ATOM 421 CB LEU A 32 4.593 12.591 -4.264 1.00 0.00 C ATOM 422 CG LEU A 32 3.651 11.388 -4.222 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.409 10.948 -2.786 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.334 11.718 -4.909 1.00 0.00 C ATOM 0 H LEU A 32 6.236 11.108 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 32 4.404 13.293 -6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.410 12.412 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.050 13.465 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 32 4.122 10.564 -4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.736 10.091 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.357 10.670 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.960 11.768 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.676 10.850 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.859 12.557 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.523 11.983 -5.949 1.00 0.00 H new ATOM 436 N GLU A 33 7.506 13.615 -5.381 1.00 0.00 N ATOM 437 CA GLU A 33 8.605 14.562 -5.236 1.00 0.00 C ATOM 438 C GLU A 33 8.555 15.624 -6.331 1.00 0.00 C ATOM 439 O GLU A 33 8.695 16.816 -6.061 1.00 0.00 O ATOM 440 CB GLU A 33 9.947 13.831 -5.279 1.00 0.00 C ATOM 441 CG GLU A 33 10.537 13.722 -6.676 1.00 0.00 C ATOM 442 CD GLU A 33 11.834 12.937 -6.703 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.609 13.038 -5.730 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.071 12.219 -7.697 1.00 0.00 O ATOM 0 H GLU A 33 7.792 12.636 -5.398 1.00 0.00 H new ATOM 0 HA GLU A 33 8.501 15.056 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.655 14.351 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.819 12.829 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.813 13.243 -7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.714 14.723 -7.070 1.00 0.00 H new ATOM 451 N SER A 34 8.356 15.181 -7.568 1.00 0.00 N ATOM 452 CA SER A 34 8.293 16.092 -8.705 1.00 0.00 C ATOM 453 C SER A 34 6.881 16.644 -8.880 1.00 0.00 C ATOM 454 O SER A 34 6.571 17.271 -9.893 1.00 0.00 O ATOM 455 CB SER A 34 8.736 15.377 -9.983 1.00 0.00 C ATOM 456 OG SER A 34 10.140 15.454 -10.150 1.00 0.00 O ATOM 0 H SER A 34 8.236 14.197 -7.809 1.00 0.00 H new ATOM 0 HA SER A 34 8.969 16.925 -8.511 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.428 14.332 -9.944 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.239 15.824 -10.844 1.00 0.00 H new ATOM 0 HG SER A 34 10.398 14.988 -10.973 1.00 0.00 H new ATOM 462 N GLN A 35 6.032 16.405 -7.887 1.00 0.00 N ATOM 463 CA GLN A 35 4.653 16.877 -7.933 1.00 0.00 C ATOM 464 C GLN A 35 4.410 17.950 -6.875 1.00 0.00 C ATOM 465 O GLN A 35 5.095 18.016 -5.854 1.00 0.00 O ATOM 466 CB GLN A 35 3.684 15.711 -7.724 1.00 0.00 C ATOM 467 CG GLN A 35 3.620 14.756 -8.905 1.00 0.00 C ATOM 468 CD GLN A 35 2.936 15.365 -10.112 1.00 0.00 C ATOM 469 OE1 GLN A 35 1.753 15.703 -10.066 1.00 0.00 O ATOM 470 NE2 GLN A 35 3.680 15.511 -11.204 1.00 0.00 N ATOM 0 H GLN A 35 6.274 15.888 -7.042 1.00 0.00 H new ATOM 0 HA GLN A 35 4.478 17.314 -8.916 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.982 15.156 -6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.687 16.108 -7.533 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.631 14.455 -9.179 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.088 13.852 -8.608 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.657 15.217 -11.199 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.274 15.917 -12.047 1.00 0.00 H new ATOM 479 N PRO A 36 3.413 18.810 -7.124 1.00 0.00 N ATOM 480 CA PRO A 36 3.057 19.896 -6.206 1.00 0.00 C ATOM 481 C PRO A 36 2.422 19.381 -4.917 1.00 0.00 C ATOM 482 O PRO A 36 1.811 18.312 -4.899 1.00 0.00 O ATOM 483 CB PRO A 36 2.046 20.722 -7.006 1.00 0.00 C ATOM 484 CG PRO A 36 1.457 19.760 -7.978 1.00 0.00 C ATOM 485 CD PRO A 36 2.555 18.792 -8.321 1.00 0.00 C ATOM 0 HA PRO A 36 3.932 20.462 -5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.281 21.148 -6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.530 21.554 -7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.602 19.242 -7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.099 20.276 -8.869 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.163 17.794 -8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.101 19.103 -9.211 1.00 0.00 H new ATOM 493 N LEU A 37 2.570 20.148 -3.843 1.00 0.00 N ATOM 494 CA LEU A 37 2.011 19.769 -2.550 1.00 0.00 C ATOM 495 C LEU A 37 0.531 19.421 -2.678 1.00 0.00 C ATOM 496 O LEU A 37 -0.242 20.164 -3.283 1.00 0.00 O ATOM 497 CB LEU A 37 2.194 20.904 -1.540 1.00 0.00 C ATOM 498 CG LEU A 37 2.319 20.485 -0.075 1.00 0.00 C ATOM 499 CD1 LEU A 37 1.110 19.665 0.351 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.603 19.699 0.147 1.00 0.00 C ATOM 0 H LEU A 37 3.072 21.036 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 37 2.544 18.887 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.087 21.467 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.348 21.585 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 37 2.356 21.385 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.217 19.376 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.205 20.261 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.041 18.770 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.675 19.409 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.595 18.805 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.460 20.319 -0.118 1.00 0.00 H new ATOM 512 N GLY A 38 0.143 18.288 -2.102 1.00 0.00 N ATOM 513 CA GLY A 38 -1.244 17.863 -2.161 1.00 0.00 C ATOM 514 C GLY A 38 -1.444 16.665 -3.069 1.00 0.00 C ATOM 515 O GLY A 38 -2.429 15.938 -2.939 1.00 0.00 O ATOM 0 H GLY A 38 0.764 17.657 -1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.588 17.616 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.860 18.690 -2.514 1.00 0.00 H new ATOM 519 N SER A 39 -0.510 16.460 -3.991 1.00 0.00 N ATOM 520 CA SER A 39 -0.591 15.345 -4.927 1.00 0.00 C ATOM 521 C SER A 39 -0.677 14.016 -4.184 1.00 0.00 C ATOM 522 O SER A 39 0.199 13.679 -3.387 1.00 0.00 O ATOM 523 CB SER A 39 0.622 15.344 -5.860 1.00 0.00 C ATOM 524 OG SER A 39 0.762 16.593 -6.515 1.00 0.00 O ATOM 0 H SER A 39 0.312 17.052 -4.110 1.00 0.00 H new ATOM 0 HA SER A 39 -1.497 15.468 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.524 15.126 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.515 14.551 -6.600 1.00 0.00 H new ATOM 0 HG SER A 39 1.414 17.144 -6.033 1.00 0.00 H new ATOM 530 N PHE A 40 -1.740 13.263 -4.451 1.00 0.00 N ATOM 531 CA PHE A 40 -1.942 11.970 -3.806 1.00 0.00 C ATOM 532 C PHE A 40 -1.774 10.831 -4.809 1.00 0.00 C ATOM 533 O PHE A 40 -1.901 11.029 -6.017 1.00 0.00 O ATOM 534 CB PHE A 40 -3.332 11.905 -3.172 1.00 0.00 C ATOM 535 CG PHE A 40 -4.444 11.783 -4.175 1.00 0.00 C ATOM 536 CD1 PHE A 40 -4.846 10.540 -4.637 1.00 0.00 C ATOM 537 CD2 PHE A 40 -5.087 12.912 -4.657 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.868 10.425 -5.559 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.110 12.802 -5.580 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.501 11.557 -6.032 1.00 0.00 C ATOM 0 H PHE A 40 -2.474 13.526 -5.109 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.189 11.859 -3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.373 11.055 -2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.491 12.801 -2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.354 9.650 -4.272 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.786 13.888 -4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.172 9.450 -5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.603 13.690 -5.948 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.300 11.469 -6.754 1.00 0.00 H new ATOM 550 N LEU A 41 -1.485 9.640 -4.296 1.00 0.00 N ATOM 551 CA LEU A 41 -1.297 8.469 -5.146 1.00 0.00 C ATOM 552 C LEU A 41 -1.382 7.185 -4.327 1.00 0.00 C ATOM 553 O LEU A 41 -0.999 7.156 -3.157 1.00 0.00 O ATOM 554 CB LEU A 41 0.052 8.543 -5.861 1.00 0.00 C ATOM 555 CG LEU A 41 1.235 7.905 -5.132 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.325 8.423 -3.706 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.112 6.388 -5.143 1.00 0.00 C ATOM 0 H LEU A 41 -1.376 9.460 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.094 8.459 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.049 8.065 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.287 9.592 -6.044 1.00 0.00 H new ATOM 0 HG LEU A 41 2.151 8.180 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.173 7.958 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.460 9.505 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.407 8.179 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.962 5.950 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.189 6.094 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.097 6.032 -6.173 1.00 0.00 H new ATOM 569 N ILE A 42 -1.883 6.123 -4.950 1.00 0.00 N ATOM 570 CA ILE A 42 -2.014 4.835 -4.279 1.00 0.00 C ATOM 571 C ILE A 42 -1.170 3.769 -4.969 1.00 0.00 C ATOM 572 O ILE A 42 -1.019 3.776 -6.191 1.00 0.00 O ATOM 573 CB ILE A 42 -3.481 4.367 -4.241 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.353 5.412 -3.542 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.590 3.023 -3.537 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.827 5.068 -3.546 1.00 0.00 C ATOM 0 H ILE A 42 -2.205 6.129 -5.918 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.659 4.973 -3.258 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.836 4.249 -5.265 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.017 5.524 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.212 6.377 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.633 2.706 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.995 2.283 -4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.221 3.116 -2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.385 5.852 -3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.178 4.985 -4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.981 4.119 -3.032 1.00 0.00 H new ATOM 588 N ARG A 43 -0.624 2.852 -4.178 1.00 0.00 N ATOM 589 CA ARG A 43 0.205 1.777 -4.712 1.00 0.00 C ATOM 590 C ARG A 43 -0.158 0.441 -4.071 1.00 0.00 C ATOM 591 O ARG A 43 -0.062 0.277 -2.854 1.00 0.00 O ATOM 592 CB ARG A 43 1.685 2.082 -4.478 1.00 0.00 C ATOM 593 CG ARG A 43 2.035 2.319 -3.017 1.00 0.00 C ATOM 594 CD ARG A 43 3.219 3.262 -2.875 1.00 0.00 C ATOM 595 NE ARG A 43 3.874 3.125 -1.576 1.00 0.00 N ATOM 596 CZ ARG A 43 3.323 3.512 -0.431 1.00 0.00 C ATOM 597 NH1 ARG A 43 2.114 4.056 -0.423 1.00 0.00 N ATOM 598 NH2 ARG A 43 3.983 3.355 0.710 1.00 0.00 N ATOM 0 H ARG A 43 -0.740 2.831 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 43 0.020 1.708 -5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.282 1.252 -4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.962 2.963 -5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.172 2.736 -2.498 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.266 1.368 -2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.940 3.061 -3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.881 4.290 -3.004 1.00 0.00 H new ATOM 0 HE ARG A 43 4.805 2.710 -1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.604 4.178 -1.298 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.694 4.352 0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.913 2.937 0.708 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.560 3.652 1.589 1.00 0.00 H new ATOM 612 N VAL A 44 -0.577 -0.512 -4.897 1.00 0.00 N ATOM 613 CA VAL A 44 -0.953 -1.834 -4.411 1.00 0.00 C ATOM 614 C VAL A 44 0.057 -2.355 -3.396 1.00 0.00 C ATOM 615 O VAL A 44 1.170 -2.740 -3.753 1.00 0.00 O ATOM 616 CB VAL A 44 -1.070 -2.845 -5.568 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.392 -4.233 -5.035 1.00 0.00 C ATOM 618 CG2 VAL A 44 -2.122 -2.391 -6.569 1.00 0.00 C ATOM 0 H VAL A 44 -0.665 -0.393 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.925 -1.729 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.110 -2.894 -6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.471 -4.933 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.599 -4.557 -4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.338 -4.205 -4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.191 -3.117 -7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.088 -2.311 -6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.842 -1.419 -6.976 1.00 0.00 H new ATOM 628 N SER A 45 -0.339 -2.365 -2.127 1.00 0.00 N ATOM 629 CA SER A 45 0.533 -2.836 -1.058 1.00 0.00 C ATOM 630 C SER A 45 0.667 -4.356 -1.094 1.00 0.00 C ATOM 631 O SER A 45 -0.300 -5.069 -1.367 1.00 0.00 O ATOM 632 CB SER A 45 -0.008 -2.393 0.303 1.00 0.00 C ATOM 633 OG SER A 45 -1.127 -3.175 0.686 1.00 0.00 O ATOM 0 H SER A 45 -1.258 -2.052 -1.814 1.00 0.00 H new ATOM 0 HA SER A 45 1.520 -2.398 -1.209 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.776 -2.481 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.293 -1.342 0.260 1.00 0.00 H new ATOM 0 HG SER A 45 -1.596 -3.490 -0.115 1.00 0.00 H new ATOM 639 N HIS A 46 1.872 -4.844 -0.818 1.00 0.00 N ATOM 640 CA HIS A 46 2.133 -6.279 -0.819 1.00 0.00 C ATOM 641 C HIS A 46 2.396 -6.784 0.596 1.00 0.00 C ATOM 642 O HIS A 46 1.970 -7.879 0.963 1.00 0.00 O ATOM 643 CB HIS A 46 3.328 -6.601 -1.718 1.00 0.00 C ATOM 644 CG HIS A 46 3.055 -6.391 -3.176 1.00 0.00 C ATOM 645 ND1 HIS A 46 2.404 -7.321 -3.960 1.00 0.00 N ATOM 646 CD2 HIS A 46 3.346 -5.350 -3.990 1.00 0.00 C ATOM 647 CE1 HIS A 46 2.309 -6.861 -5.195 1.00 0.00 C ATOM 648 NE2 HIS A 46 2.872 -5.667 -5.240 1.00 0.00 N ATOM 0 H HIS A 46 2.682 -4.268 -0.591 1.00 0.00 H new ATOM 0 HA HIS A 46 1.249 -6.784 -1.208 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.173 -5.979 -1.422 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.624 -7.638 -1.558 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.051 -8.222 -3.637 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.856 -4.440 -3.710 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.849 -7.374 -6.027 1.00 0.00 H new ATOM 656 N SER A 47 3.099 -5.979 1.386 1.00 0.00 N ATOM 657 CA SER A 47 3.422 -6.346 2.759 1.00 0.00 C ATOM 658 C SER A 47 2.183 -6.852 3.492 1.00 0.00 C ATOM 659 O SER A 47 2.177 -7.956 4.037 1.00 0.00 O ATOM 660 CB SER A 47 4.016 -5.150 3.504 1.00 0.00 C ATOM 661 OG SER A 47 5.348 -4.901 3.090 1.00 0.00 O ATOM 0 H SER A 47 3.456 -5.068 1.098 1.00 0.00 H new ATOM 0 HA SER A 47 4.159 -7.148 2.730 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.405 -4.266 3.324 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.995 -5.339 4.577 1.00 0.00 H new ATOM 0 HG SER A 47 5.704 -4.131 3.580 1.00 0.00 H new ATOM 667 N HIS A 48 1.134 -6.035 3.501 1.00 0.00 N ATOM 668 CA HIS A 48 -0.112 -6.399 4.167 1.00 0.00 C ATOM 669 C HIS A 48 -1.289 -6.318 3.198 1.00 0.00 C ATOM 670 O HIS A 48 -1.338 -5.438 2.338 1.00 0.00 O ATOM 671 CB HIS A 48 -0.360 -5.484 5.367 1.00 0.00 C ATOM 672 CG HIS A 48 -1.099 -4.228 5.020 1.00 0.00 C ATOM 673 ND1 HIS A 48 -0.482 -3.113 4.493 1.00 0.00 N ATOM 674 CD2 HIS A 48 -2.411 -3.915 5.125 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.382 -2.168 4.292 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.561 -2.630 4.667 1.00 0.00 N ATOM 0 H HIS A 48 1.122 -5.118 3.055 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.022 -7.427 4.517 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.925 -6.032 6.121 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.597 -5.220 5.816 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.195 -4.557 5.500 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.187 -1.185 3.890 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.440 -2.115 4.623 1.00 0.00 H new ATOM 684 N VAL A 49 -2.234 -7.241 3.344 1.00 0.00 N ATOM 685 CA VAL A 49 -3.410 -7.274 2.483 1.00 0.00 C ATOM 686 C VAL A 49 -4.110 -5.919 2.457 1.00 0.00 C ATOM 687 O VAL A 49 -4.540 -5.412 3.491 1.00 0.00 O ATOM 688 CB VAL A 49 -4.413 -8.348 2.943 1.00 0.00 C ATOM 689 CG1 VAL A 49 -4.983 -7.997 4.308 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.524 -8.513 1.918 1.00 0.00 C ATOM 0 H VAL A 49 -2.208 -7.976 4.051 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.061 -7.519 1.480 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.886 -9.298 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.690 -8.767 4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.174 -7.935 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.495 -7.036 4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.224 -9.276 2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.050 -7.566 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.095 -8.815 0.962 1.00 0.00 H new ATOM 700 N GLY A 50 -4.220 -5.339 1.266 1.00 0.00 N ATOM 701 CA GLY A 50 -4.869 -4.048 1.126 1.00 0.00 C ATOM 702 C GLY A 50 -4.051 -3.074 0.302 1.00 0.00 C ATOM 703 O GLY A 50 -3.270 -3.481 -0.559 1.00 0.00 O ATOM 0 H GLY A 50 -3.871 -5.740 0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.845 -4.184 0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.045 -3.624 2.115 1.00 0.00 H new ATOM 707 N TYR A 51 -4.231 -1.784 0.564 1.00 0.00 N ATOM 708 CA TYR A 51 -3.506 -0.749 -0.163 1.00 0.00 C ATOM 709 C TYR A 51 -2.870 0.250 0.800 1.00 0.00 C ATOM 710 O TYR A 51 -3.121 0.214 2.005 1.00 0.00 O ATOM 711 CB TYR A 51 -4.445 -0.019 -1.124 1.00 0.00 C ATOM 712 CG TYR A 51 -5.111 -0.931 -2.130 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.001 -1.916 -1.719 1.00 0.00 C ATOM 714 CD2 TYR A 51 -4.850 -0.809 -3.489 1.00 0.00 C ATOM 715 CE1 TYR A 51 -6.612 -2.753 -2.633 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.457 -1.640 -4.410 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.337 -2.610 -3.978 1.00 0.00 C ATOM 718 OH TYR A 51 -6.943 -3.440 -4.893 1.00 0.00 O ATOM 0 H TYR A 51 -4.872 -1.431 1.274 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.713 -1.231 -0.735 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.214 0.495 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.882 0.747 -1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.219 -2.029 -0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.161 -0.051 -3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.300 -3.514 -2.297 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.244 -1.531 -5.463 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.642 -3.206 -5.796 1.00 0.00 H new ATOM 728 N THR A 52 -2.045 1.140 0.259 1.00 0.00 N ATOM 729 CA THR A 52 -1.372 2.148 1.068 1.00 0.00 C ATOM 730 C THR A 52 -1.476 3.528 0.426 1.00 0.00 C ATOM 731 O THR A 52 -0.658 3.893 -0.419 1.00 0.00 O ATOM 732 CB THR A 52 0.114 1.802 1.275 1.00 0.00 C ATOM 733 OG1 THR A 52 0.237 0.504 1.867 1.00 0.00 O ATOM 734 CG2 THR A 52 0.792 2.835 2.162 1.00 0.00 C ATOM 0 H THR A 52 -1.827 1.183 -0.736 1.00 0.00 H new ATOM 0 HA THR A 52 -1.873 2.162 2.036 1.00 0.00 H new ATOM 0 HB THR A 52 0.604 1.805 0.301 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.185 0.291 1.994 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.841 2.569 2.294 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.723 3.817 1.695 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.299 2.860 3.134 1.00 0.00 H new ATOM 742 N LEU A 53 -2.485 4.290 0.834 1.00 0.00 N ATOM 743 CA LEU A 53 -2.695 5.631 0.299 1.00 0.00 C ATOM 744 C LEU A 53 -1.596 6.581 0.765 1.00 0.00 C ATOM 745 O LEU A 53 -1.137 6.503 1.904 1.00 0.00 O ATOM 746 CB LEU A 53 -4.063 6.164 0.729 1.00 0.00 C ATOM 747 CG LEU A 53 -4.276 7.670 0.573 1.00 0.00 C ATOM 748 CD1 LEU A 53 -4.742 8.000 -0.836 1.00 0.00 C ATOM 749 CD2 LEU A 53 -5.277 8.176 1.601 1.00 0.00 C ATOM 0 H LEU A 53 -3.170 4.003 1.533 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.661 5.572 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.830 5.647 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.220 5.902 1.775 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.324 8.172 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.888 9.076 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.990 7.673 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.683 7.487 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.416 9.250 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.231 7.667 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.902 7.974 2.604 1.00 0.00 H new ATOM 761 N SER A 54 -1.183 7.479 -0.124 1.00 0.00 N ATOM 762 CA SER A 54 -0.138 8.444 0.196 1.00 0.00 C ATOM 763 C SER A 54 -0.326 9.733 -0.599 1.00 0.00 C ATOM 764 O SER A 54 -1.084 9.772 -1.569 1.00 0.00 O ATOM 765 CB SER A 54 1.241 7.849 -0.096 1.00 0.00 C ATOM 766 OG SER A 54 1.635 6.949 0.925 1.00 0.00 O ATOM 0 H SER A 54 -1.556 7.558 -1.070 1.00 0.00 H new ATOM 0 HA SER A 54 -0.208 8.679 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.221 7.330 -1.054 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.975 8.650 -0.182 1.00 0.00 H new ATOM 0 HG SER A 54 2.573 7.109 1.158 1.00 0.00 H new ATOM 772 N TYR A 55 0.368 10.785 -0.181 1.00 0.00 N ATOM 773 CA TYR A 55 0.276 12.077 -0.851 1.00 0.00 C ATOM 774 C TYR A 55 1.266 13.072 -0.254 1.00 0.00 C ATOM 775 O TYR A 55 1.506 13.079 0.953 1.00 0.00 O ATOM 776 CB TYR A 55 -1.147 12.630 -0.744 1.00 0.00 C ATOM 777 CG TYR A 55 -1.568 12.952 0.671 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.030 14.041 1.346 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.503 12.166 1.335 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.412 14.338 2.640 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.890 12.457 2.628 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.342 13.543 3.277 1.00 0.00 C ATOM 783 OH TYR A 55 -2.724 13.837 4.566 1.00 0.00 O ATOM 0 H TYR A 55 1.001 10.769 0.619 1.00 0.00 H new ATOM 0 HA TYR A 55 0.525 11.931 -1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.223 13.532 -1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.842 11.903 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.301 14.666 0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.934 11.314 0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.985 15.188 3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.619 11.837 3.129 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.491 14.446 4.549 1.00 0.00 H new ATOM 793 N LYS A 56 1.837 13.913 -1.110 1.00 0.00 N ATOM 794 CA LYS A 56 2.800 14.915 -0.670 1.00 0.00 C ATOM 795 C LYS A 56 2.199 15.812 0.408 1.00 0.00 C ATOM 796 O LYS A 56 1.143 16.411 0.212 1.00 0.00 O ATOM 797 CB LYS A 56 3.260 15.766 -1.857 1.00 0.00 C ATOM 798 CG LYS A 56 4.637 16.379 -1.667 1.00 0.00 C ATOM 799 CD LYS A 56 5.732 15.464 -2.187 1.00 0.00 C ATOM 800 CE LYS A 56 7.089 15.832 -1.605 1.00 0.00 C ATOM 801 NZ LYS A 56 7.992 14.651 -1.513 1.00 0.00 N ATOM 0 H LYS A 56 1.649 13.920 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 56 3.660 14.395 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.267 15.149 -2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.536 16.564 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.685 17.336 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.803 16.582 -0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.495 14.431 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.773 15.525 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.555 16.598 -2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.954 16.264 -0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.804 14.881 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.472 13.847 -1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.332 14.399 -2.463 1.00 0.00 H new ATOM 815 N ALA A 57 2.880 15.900 1.546 1.00 0.00 N ATOM 816 CA ALA A 57 2.414 16.725 2.653 1.00 0.00 C ATOM 817 C ALA A 57 3.414 17.831 2.971 1.00 0.00 C ATOM 818 O ALA A 57 4.625 17.627 2.888 1.00 0.00 O ATOM 819 CB ALA A 57 2.164 15.866 3.884 1.00 0.00 C ATOM 0 H ALA A 57 3.756 15.410 1.725 1.00 0.00 H new ATOM 0 HA ALA A 57 1.476 17.193 2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.816 16.496 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.407 15.116 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.090 15.370 4.176 1.00 0.00 H new ATOM 825 N GLN A 58 2.900 19.001 3.337 1.00 0.00 N ATOM 826 CA GLN A 58 3.750 20.139 3.667 1.00 0.00 C ATOM 827 C GLN A 58 5.020 19.682 4.376 1.00 0.00 C ATOM 828 O GLN A 58 6.130 19.985 3.937 1.00 0.00 O ATOM 829 CB GLN A 58 2.990 21.133 4.546 1.00 0.00 C ATOM 830 CG GLN A 58 2.221 22.181 3.757 1.00 0.00 C ATOM 831 CD GLN A 58 1.191 22.907 4.600 1.00 0.00 C ATOM 832 OE1 GLN A 58 1.534 23.736 5.443 1.00 0.00 O ATOM 833 NE2 GLN A 58 -0.081 22.598 4.376 1.00 0.00 N ATOM 0 H GLN A 58 1.900 19.186 3.412 1.00 0.00 H new ATOM 0 HA GLN A 58 4.032 20.631 2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.294 20.585 5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.697 21.635 5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.922 22.906 3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.723 21.702 2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.320 21.905 3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.819 23.054 4.913 1.00 0.00 H new ATOM 842 N SER A 59 4.850 18.954 5.473 1.00 0.00 N ATOM 843 CA SER A 59 5.983 18.459 6.246 1.00 0.00 C ATOM 844 C SER A 59 6.787 17.441 5.441 1.00 0.00 C ATOM 845 O SER A 59 7.973 17.638 5.180 1.00 0.00 O ATOM 846 CB SER A 59 5.499 17.826 7.552 1.00 0.00 C ATOM 847 OG SER A 59 4.532 16.821 7.304 1.00 0.00 O ATOM 0 H SER A 59 3.938 18.693 5.848 1.00 0.00 H new ATOM 0 HA SER A 59 6.630 19.305 6.479 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.346 17.396 8.087 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.072 18.595 8.196 1.00 0.00 H new ATOM 0 HG SER A 59 4.240 16.431 8.154 1.00 0.00 H new ATOM 853 N SER A 60 6.129 16.353 5.052 1.00 0.00 N ATOM 854 CA SER A 60 6.783 15.303 4.280 1.00 0.00 C ATOM 855 C SER A 60 5.776 14.241 3.847 1.00 0.00 C ATOM 856 O SER A 60 4.742 14.051 4.490 1.00 0.00 O ATOM 857 CB SER A 60 7.900 14.657 5.101 1.00 0.00 C ATOM 858 OG SER A 60 8.691 13.796 4.299 1.00 0.00 O ATOM 0 H SER A 60 5.146 16.176 5.258 1.00 0.00 H new ATOM 0 HA SER A 60 7.214 15.757 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.529 15.432 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.468 14.094 5.928 1.00 0.00 H new ATOM 0 HG SER A 60 9.399 13.397 4.847 1.00 0.00 H new ATOM 864 N CYS A 61 6.085 13.553 2.753 1.00 0.00 N ATOM 865 CA CYS A 61 5.206 12.511 2.233 1.00 0.00 C ATOM 866 C CYS A 61 4.524 11.757 3.370 1.00 0.00 C ATOM 867 O CYS A 61 5.090 11.598 4.451 1.00 0.00 O ATOM 868 CB CYS A 61 6.000 11.535 1.362 1.00 0.00 C ATOM 869 SG CYS A 61 6.147 12.042 -0.367 1.00 0.00 S ATOM 0 H CYS A 61 6.936 13.698 2.210 1.00 0.00 H new ATOM 0 HA CYS A 61 4.437 12.988 1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.999 11.420 1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.522 10.556 1.403 1.00 0.00 H new ATOM 0 HG CYS A 61 7.150 11.423 -0.917 1.00 0.00 H new ATOM 875 N CYS A 62 3.304 11.296 3.118 1.00 0.00 N ATOM 876 CA CYS A 62 2.541 10.561 4.121 1.00 0.00 C ATOM 877 C CYS A 62 2.204 9.158 3.627 1.00 0.00 C ATOM 878 O CYS A 62 2.005 8.974 2.427 1.00 0.00 O ATOM 879 CB CYS A 62 1.258 11.315 4.469 1.00 0.00 C ATOM 880 SG CYS A 62 1.532 12.889 5.315 1.00 0.00 S ATOM 0 H CYS A 62 2.822 11.418 2.228 1.00 0.00 H new ATOM 0 HA CYS A 62 3.155 10.473 5.017 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.698 11.500 3.552 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.636 10.680 5.099 1.00 0.00 H new ATOM 0 HG CYS A 62 2.717 13.337 5.025 1.00 0.00 H new ATOM 886 N HIS A 63 2.150 8.210 4.551 1.00 0.00 N ATOM 887 CA HIS A 63 1.839 6.836 4.196 1.00 0.00 C ATOM 888 C HIS A 63 0.739 6.304 5.117 1.00 0.00 C ATOM 889 O HIS A 63 0.913 6.159 6.327 1.00 0.00 O ATOM 890 CB HIS A 63 3.100 5.970 4.218 1.00 0.00 C ATOM 891 CG HIS A 63 4.141 6.375 3.201 1.00 0.00 C ATOM 892 ND1 HIS A 63 3.990 6.152 1.844 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.348 6.992 3.358 1.00 0.00 C ATOM 894 CE1 HIS A 63 5.064 6.616 1.222 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.904 7.136 2.163 1.00 0.00 N ATOM 0 H HIS A 63 2.316 8.366 5.545 1.00 0.00 H new ATOM 0 HA HIS A 63 1.460 6.798 3.175 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.542 6.015 5.213 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.819 4.932 4.041 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.778 7.309 4.297 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.243 6.588 0.157 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.811 7.565 1.978 1.00 0.00 H new ATOM 903 N PHE A 64 -0.409 6.014 4.512 1.00 0.00 N ATOM 904 CA PHE A 64 -1.553 5.499 5.252 1.00 0.00 C ATOM 905 C PHE A 64 -1.899 4.082 4.803 1.00 0.00 C ATOM 906 O PHE A 64 -2.127 3.833 3.620 1.00 0.00 O ATOM 907 CB PHE A 64 -2.764 6.414 5.062 1.00 0.00 C ATOM 908 CG PHE A 64 -2.460 7.866 5.298 1.00 0.00 C ATOM 909 CD1 PHE A 64 -2.540 8.407 6.571 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.094 8.691 4.246 1.00 0.00 C ATOM 911 CE1 PHE A 64 -2.262 9.744 6.789 1.00 0.00 C ATOM 912 CE2 PHE A 64 -1.813 10.027 4.458 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.896 10.554 5.732 1.00 0.00 C ATOM 0 H PHE A 64 -0.570 6.127 3.511 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.287 5.472 6.309 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.147 6.291 4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.556 6.101 5.742 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.823 7.778 7.402 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.028 8.284 3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.331 10.155 7.786 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.529 10.658 3.629 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.675 11.598 5.901 1.00 0.00 H new ATOM 923 N MET A 65 -1.933 3.157 5.757 1.00 0.00 N ATOM 924 CA MET A 65 -2.250 1.765 5.460 1.00 0.00 C ATOM 925 C MET A 65 -3.754 1.575 5.290 1.00 0.00 C ATOM 926 O MET A 65 -4.552 2.196 5.992 1.00 0.00 O ATOM 927 CB MET A 65 -1.731 0.853 6.573 1.00 0.00 C ATOM 928 CG MET A 65 -2.699 0.701 7.735 1.00 0.00 C ATOM 929 SD MET A 65 -2.231 -0.627 8.862 1.00 0.00 S ATOM 930 CE MET A 65 -3.108 -2.011 8.136 1.00 0.00 C ATOM 0 H MET A 65 -1.745 3.346 6.742 1.00 0.00 H new ATOM 0 HA MET A 65 -1.760 1.498 4.524 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.520 -0.132 6.156 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.787 1.250 6.947 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.748 1.640 8.287 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.699 0.507 7.347 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.917 -2.317 8.799 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.522 -1.714 7.172 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.420 -2.844 7.995 1.00 0.00 H new ATOM 940 N VAL A 66 -4.135 0.710 4.354 1.00 0.00 N ATOM 941 CA VAL A 66 -5.543 0.437 4.094 1.00 0.00 C ATOM 942 C VAL A 66 -5.843 -1.054 4.199 1.00 0.00 C ATOM 943 O VAL A 66 -5.154 -1.881 3.600 1.00 0.00 O ATOM 944 CB VAL A 66 -5.962 0.937 2.698 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.425 0.617 2.434 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.703 2.431 2.567 1.00 0.00 C ATOM 0 H VAL A 66 -3.488 0.187 3.764 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.115 0.973 4.851 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.360 0.420 1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.703 0.977 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.576 -0.461 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.046 1.105 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.005 2.767 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.278 2.967 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.641 2.630 2.710 1.00 0.00 H new ATOM 956 N LYS A 67 -6.875 -1.391 4.963 1.00 0.00 N ATOM 957 CA LYS A 67 -7.270 -2.783 5.147 1.00 0.00 C ATOM 958 C LYS A 67 -8.487 -3.121 4.293 1.00 0.00 C ATOM 959 O LYS A 67 -9.150 -2.231 3.758 1.00 0.00 O ATOM 960 CB LYS A 67 -7.576 -3.058 6.621 1.00 0.00 C ATOM 961 CG LYS A 67 -6.451 -2.657 7.560 1.00 0.00 C ATOM 962 CD LYS A 67 -6.628 -1.235 8.065 1.00 0.00 C ATOM 963 CE LYS A 67 -7.548 -1.183 9.275 1.00 0.00 C ATOM 964 NZ LYS A 67 -7.043 -2.029 10.393 1.00 0.00 N ATOM 0 H LYS A 67 -7.454 -0.719 5.466 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.440 -3.414 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.482 -2.521 6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.783 -4.120 6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.420 -3.344 8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.495 -2.744 7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.656 -0.818 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.037 -0.613 7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.643 -0.152 9.615 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.545 -1.518 8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.099 -1.496 11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.623 -2.889 10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.054 -2.293 10.209 1.00 0.00 H new ATOM 978 N LEU A 68 -8.777 -4.412 4.167 1.00 0.00 N ATOM 979 CA LEU A 68 -9.916 -4.867 3.379 1.00 0.00 C ATOM 980 C LEU A 68 -11.000 -5.454 4.277 1.00 0.00 C ATOM 981 O LEU A 68 -10.960 -6.634 4.629 1.00 0.00 O ATOM 982 CB LEU A 68 -9.467 -5.910 2.354 1.00 0.00 C ATOM 983 CG LEU A 68 -10.277 -5.971 1.058 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.815 -7.133 0.193 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.763 -6.088 1.363 1.00 0.00 C ATOM 0 H LEU A 68 -8.238 -5.162 4.601 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.331 -4.006 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.426 -5.714 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.500 -6.892 2.826 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.112 -5.046 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.403 -7.160 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.761 -7.006 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.949 -8.068 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.324 -6.130 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.946 -6.996 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.085 -5.222 1.941 1.00 0.00 H new ATOM 997 N LEU A 69 -11.971 -4.623 4.643 1.00 0.00 N ATOM 998 CA LEU A 69 -13.068 -5.060 5.500 1.00 0.00 C ATOM 999 C LEU A 69 -13.659 -6.374 4.999 1.00 0.00 C ATOM 1000 O LEU A 69 -13.349 -6.826 3.898 1.00 0.00 O ATOM 1001 CB LEU A 69 -14.157 -3.987 5.553 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.804 -2.710 6.319 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -12.941 -3.036 7.529 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -13.096 -1.719 5.407 1.00 0.00 C ATOM 0 H LEU A 69 -12.021 -3.644 4.360 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.672 -5.219 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.419 -3.713 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.048 -4.424 6.005 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.729 -2.252 6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.699 -2.116 8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.484 -3.708 8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.020 -3.517 7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.853 -0.817 5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.179 -2.167 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.749 -1.462 4.573 1.00 0.00 H new ATOM 1016 N ASP A 70 -14.513 -6.981 5.816 1.00 0.00 N ATOM 1017 CA ASP A 70 -15.151 -8.242 5.455 1.00 0.00 C ATOM 1018 C ASP A 70 -16.262 -8.017 4.435 1.00 0.00 C ATOM 1019 O ASP A 70 -16.641 -8.932 3.703 1.00 0.00 O ATOM 1020 CB ASP A 70 -15.716 -8.927 6.701 1.00 0.00 C ATOM 1021 CG ASP A 70 -16.532 -10.160 6.364 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -15.931 -11.242 6.201 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -17.771 -10.042 6.263 1.00 0.00 O ATOM 0 H ASP A 70 -14.779 -6.621 6.732 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.396 -8.887 5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.896 -9.207 7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.340 -8.221 7.249 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.781 -6.795 4.393 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.849 -6.450 3.463 1.00 0.00 C ATOM 1030 C ASP A 71 -17.280 -6.070 2.099 1.00 0.00 C ATOM 1031 O ASP A 71 -17.935 -5.390 1.309 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.686 -5.296 4.019 1.00 0.00 C ATOM 1033 CG ASP A 71 -19.271 -5.610 5.381 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -19.467 -6.806 5.681 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -19.533 -4.658 6.148 1.00 0.00 O ATOM 0 H ASP A 71 -16.479 -6.027 4.992 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.487 -7.325 3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.066 -4.402 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.494 -5.069 3.323 1.00 0.00 H new ATOM 1040 N GLY A 72 -16.057 -6.514 1.829 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.420 -6.211 0.561 1.00 0.00 C ATOM 1042 C GLY A 72 -15.125 -4.732 0.399 1.00 0.00 C ATOM 1043 O GLY A 72 -14.902 -4.254 -0.714 1.00 0.00 O ATOM 0 H GLY A 72 -15.495 -7.079 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.490 -6.775 0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.064 -6.541 -0.254 1.00 0.00 H new ATOM 1047 N THR A 73 -15.128 -4.005 1.512 1.00 0.00 N ATOM 1048 CA THR A 73 -14.862 -2.572 1.489 1.00 0.00 C ATOM 1049 C THR A 73 -13.480 -2.259 2.052 1.00 0.00 C ATOM 1050 O THR A 73 -12.745 -3.161 2.456 1.00 0.00 O ATOM 1051 CB THR A 73 -15.920 -1.791 2.292 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.871 -2.177 3.671 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.314 -2.044 1.738 1.00 0.00 C ATOM 0 H THR A 73 -15.312 -4.385 2.441 1.00 0.00 H new ATOM 0 HA THR A 73 -14.905 -2.260 0.445 1.00 0.00 H new ATOM 0 HB THR A 73 -15.699 -0.727 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.545 -1.675 4.175 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.044 -1.483 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.356 -1.723 0.697 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.542 -3.108 1.799 1.00 0.00 H new ATOM 1061 N PHE A 74 -13.133 -0.978 2.077 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.838 -0.546 2.592 1.00 0.00 C ATOM 1063 C PHE A 74 -12.005 0.576 3.612 1.00 0.00 C ATOM 1064 O PHE A 74 -12.767 1.518 3.396 1.00 0.00 O ATOM 1065 CB PHE A 74 -10.940 -0.078 1.445 1.00 0.00 C ATOM 1066 CG PHE A 74 -10.887 -1.042 0.294 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -11.934 -1.121 -0.610 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -9.790 -1.870 0.116 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -11.888 -2.006 -1.670 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -9.738 -2.757 -0.942 1.00 0.00 C ATOM 1071 CZ PHE A 74 -10.788 -2.826 -1.836 1.00 0.00 C ATOM 0 H PHE A 74 -13.730 -0.220 1.747 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.370 -1.397 3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.297 0.887 1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.930 0.078 1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.796 -0.483 -0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.966 -1.821 0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.711 -2.057 -2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.877 -3.396 -1.070 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.750 -3.519 -2.663 1.00 0.00 H new ATOM 1081 N MET A 75 -11.286 0.467 4.725 1.00 0.00 N ATOM 1082 CA MET A 75 -11.354 1.473 5.779 1.00 0.00 C ATOM 1083 C MET A 75 -9.983 1.691 6.411 1.00 0.00 C ATOM 1084 O MET A 75 -9.292 0.733 6.761 1.00 0.00 O ATOM 1085 CB MET A 75 -12.362 1.053 6.851 1.00 0.00 C ATOM 1086 CG MET A 75 -12.190 1.789 8.168 1.00 0.00 C ATOM 1087 SD MET A 75 -13.707 1.836 9.142 1.00 0.00 S ATOM 1088 CE MET A 75 -13.640 3.502 9.796 1.00 0.00 C ATOM 0 H MET A 75 -10.651 -0.307 4.920 1.00 0.00 H new ATOM 0 HA MET A 75 -11.682 2.411 5.331 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.371 1.226 6.477 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.267 -0.018 7.028 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.405 1.306 8.749 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.859 2.808 7.969 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.306 3.473 10.833 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.942 4.096 9.207 1.00 0.00 H new ATOM 0 HE3 MET A 75 -14.631 3.952 9.746 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.596 2.953 6.555 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.309 3.295 7.146 1.00 0.00 C ATOM 1100 C ILE A 76 -8.390 3.314 8.669 1.00 0.00 C ATOM 1101 O ILE A 76 -9.356 3.800 9.257 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.809 4.666 6.652 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.635 4.654 5.132 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.500 5.031 7.337 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.127 5.963 4.572 1.00 0.00 C ATOM 0 H ILE A 76 -10.156 3.757 6.270 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.604 2.526 6.832 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.553 5.420 6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.941 3.858 4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.592 4.416 4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.160 6.002 6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.654 5.077 8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.748 4.276 7.110 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.028 5.882 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.831 6.759 4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.155 6.193 5.009 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.352 2.774 9.323 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.280 2.718 10.786 1.00 0.00 C ATOM 1119 C PRO A 77 -7.083 4.095 11.410 1.00 0.00 C ATOM 1120 O PRO A 77 -5.955 4.507 11.683 1.00 0.00 O ATOM 1121 CB PRO A 77 -6.060 1.832 11.049 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.214 1.983 9.832 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.166 2.176 8.685 1.00 0.00 C ATOM 0 HA PRO A 77 -8.202 2.337 11.224 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.526 2.149 11.945 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.351 0.793 11.203 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.541 2.835 9.928 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.592 1.102 9.678 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.747 2.831 7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.405 1.231 8.198 1.00 0.00 H new ATOM 1131 N GLY A 78 -8.186 4.803 11.632 1.00 0.00 N ATOM 1132 CA GLY A 78 -8.111 6.127 12.223 1.00 0.00 C ATOM 1133 C GLY A 78 -9.301 6.992 11.859 1.00 0.00 C ATOM 1134 O GLY A 78 -9.585 7.982 12.533 1.00 0.00 O ATOM 0 H GLY A 78 -9.130 4.484 11.413 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.051 6.035 13.307 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.195 6.617 11.894 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.998 6.618 10.791 1.00 0.00 N ATOM 1139 CA GLU A 79 -11.163 7.370 10.339 1.00 0.00 C ATOM 1140 C GLU A 79 -12.453 6.717 10.825 1.00 0.00 C ATOM 1141 O GLU A 79 -12.493 5.517 11.095 1.00 0.00 O ATOM 1142 CB GLU A 79 -11.173 7.469 8.811 1.00 0.00 C ATOM 1143 CG GLU A 79 -10.204 8.502 8.263 1.00 0.00 C ATOM 1144 CD GLU A 79 -10.645 9.924 8.547 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -11.869 10.161 8.627 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -9.768 10.801 8.690 1.00 0.00 O ATOM 0 H GLU A 79 -9.777 5.800 10.223 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.102 8.373 10.761 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.928 6.494 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.181 7.716 8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.219 8.337 8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.103 8.365 7.186 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.509 7.517 10.935 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.803 7.020 11.388 1.00 0.00 C ATOM 1155 C LYS A 80 -15.728 6.755 10.205 1.00 0.00 C ATOM 1156 O LYS A 80 -16.947 6.890 10.316 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.452 8.023 12.343 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.583 8.377 13.538 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.674 7.223 13.927 1.00 0.00 C ATOM 1160 CE LYS A 80 -14.474 6.034 14.438 1.00 0.00 C ATOM 1161 NZ LYS A 80 -14.825 6.178 15.878 1.00 0.00 N ATOM 0 H LYS A 80 -13.494 8.513 10.716 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.639 6.080 11.916 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.688 8.934 11.794 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.396 7.613 12.700 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.979 9.254 13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.217 8.643 14.384 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.079 6.920 13.065 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.976 7.551 14.697 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.386 5.931 13.851 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.898 5.120 14.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.369 5.348 16.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.954 6.251 16.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.397 7.036 16.012 1.00 0.00 H new ATOM 1175 N VAL A 81 -15.142 6.376 9.074 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.916 6.090 7.871 1.00 0.00 C ATOM 1177 C VAL A 81 -15.178 5.109 6.965 1.00 0.00 C ATOM 1178 O VAL A 81 -13.985 4.866 7.137 1.00 0.00 O ATOM 1179 CB VAL A 81 -16.218 7.375 7.079 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.541 7.978 7.524 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -15.085 8.378 7.239 1.00 0.00 C ATOM 0 H VAL A 81 -14.135 6.260 8.965 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.856 5.644 8.197 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.300 7.119 6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.738 8.886 6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.344 7.261 7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.492 8.221 8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.315 9.280 6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.969 8.631 8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.158 7.942 6.866 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.900 4.549 5.999 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.315 3.596 5.064 1.00 0.00 C ATOM 1193 C ALA A 82 -15.765 3.882 3.636 1.00 0.00 C ATOM 1194 O ALA A 82 -16.566 4.786 3.395 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.680 2.174 5.461 1.00 0.00 C ATOM 0 H ALA A 82 -16.890 4.739 5.844 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.231 3.704 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.236 1.473 4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.302 1.967 6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.764 2.061 5.452 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.247 3.105 2.689 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.597 3.276 1.284 1.00 0.00 C ATOM 1203 C HIS A 83 -15.551 1.939 0.547 1.00 0.00 C ATOM 1204 O HIS A 83 -14.784 1.046 0.907 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.648 4.272 0.617 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.219 5.387 1.519 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -14.965 6.531 1.708 1.00 0.00 N ATOM 1208 CD2 HIS A 83 -13.114 5.528 2.289 1.00 0.00 C ATOM 1209 CE1 HIS A 83 -14.337 7.329 2.553 1.00 0.00 C ATOM 1210 NE2 HIS A 83 -13.212 6.743 2.922 1.00 0.00 N ATOM 0 H HIS A 83 -14.584 2.351 2.870 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.614 3.665 1.233 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.764 3.740 0.266 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.136 4.694 -0.262 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.306 4.818 2.387 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.684 8.296 2.886 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.527 7.130 3.572 1.00 0.00 H new ATOM 1218 N THR A 84 -16.378 1.811 -0.486 1.00 0.00 N ATOM 1219 CA THR A 84 -16.433 0.584 -1.271 1.00 0.00 C ATOM 1220 C THR A 84 -15.058 0.218 -1.818 1.00 0.00 C ATOM 1221 O THR A 84 -14.598 -0.913 -1.662 1.00 0.00 O ATOM 1222 CB THR A 84 -17.422 0.713 -2.445 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.170 1.924 -3.167 1.00 0.00 O ATOM 1224 CG2 THR A 84 -18.859 0.704 -1.946 1.00 0.00 C ATOM 0 H THR A 84 -17.018 2.541 -0.798 1.00 0.00 H new ATOM 0 HA THR A 84 -16.776 -0.205 -0.601 1.00 0.00 H new ATOM 0 HB THR A 84 -17.279 -0.141 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 84 -17.802 1.998 -3.913 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.539 0.796 -2.793 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.056 -0.231 -1.422 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.013 1.541 -1.265 1.00 0.00 H new ATOM 1232 N SER A 85 -14.406 1.183 -2.459 1.00 0.00 N ATOM 1233 CA SER A 85 -13.083 0.961 -3.032 1.00 0.00 C ATOM 1234 C SER A 85 -12.259 2.244 -3.008 1.00 0.00 C ATOM 1235 O SER A 85 -12.749 3.305 -2.616 1.00 0.00 O ATOM 1236 CB SER A 85 -13.207 0.447 -4.468 1.00 0.00 C ATOM 1237 OG SER A 85 -13.443 -0.950 -4.492 1.00 0.00 O ATOM 0 H SER A 85 -14.772 2.125 -2.595 1.00 0.00 H new ATOM 0 HA SER A 85 -12.573 0.211 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.022 0.965 -4.974 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.294 0.674 -5.019 1.00 0.00 H new ATOM 0 HG SER A 85 -13.869 -1.224 -3.653 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.003 2.140 -3.429 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.107 3.292 -3.455 1.00 0.00 C ATOM 1245 C LEU A 86 -10.770 4.480 -4.144 1.00 0.00 C ATOM 1246 O LEU A 86 -10.782 5.591 -3.613 1.00 0.00 O ATOM 1247 CB LEU A 86 -8.804 2.934 -4.172 1.00 0.00 C ATOM 1248 CG LEU A 86 -7.997 1.786 -3.563 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -6.802 1.450 -4.442 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -7.543 2.142 -2.156 1.00 0.00 C ATOM 0 H LEU A 86 -10.582 1.271 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.883 3.571 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.039 2.678 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.172 3.822 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.638 0.906 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.239 0.631 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.150 1.152 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.159 2.326 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.970 1.314 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.918 3.035 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.415 2.333 -1.530 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.322 4.239 -5.328 1.00 0.00 N ATOM 1263 CA ASP A 87 -11.989 5.289 -6.089 1.00 0.00 C ATOM 1264 C ASP A 87 -12.927 6.095 -5.196 1.00 0.00 C ATOM 1265 O ASP A 87 -12.834 7.321 -5.127 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.772 4.684 -7.256 1.00 0.00 C ATOM 1267 CG ASP A 87 -11.866 4.043 -8.290 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -11.199 3.042 -7.954 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -11.827 4.543 -9.434 1.00 0.00 O ATOM 0 H ASP A 87 -11.321 3.325 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.225 5.959 -6.482 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.468 3.937 -6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.368 5.462 -7.732 1.00 0.00 H new ATOM 1274 N ALA A 88 -13.831 5.399 -4.513 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.784 6.049 -3.624 1.00 0.00 C ATOM 1276 C ALA A 88 -14.110 6.502 -2.333 1.00 0.00 C ATOM 1277 O ALA A 88 -14.694 7.245 -1.544 1.00 0.00 O ATOM 1278 CB ALA A 88 -15.943 5.112 -3.316 1.00 0.00 C ATOM 0 H ALA A 88 -13.922 4.384 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.171 6.933 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.647 5.611 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.449 4.842 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.564 4.211 -2.834 1.00 0.00 H new ATOM 1284 N LEU A 89 -12.879 6.049 -2.123 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.125 6.408 -0.927 1.00 0.00 C ATOM 1286 C LEU A 89 -11.160 7.553 -1.214 1.00 0.00 C ATOM 1287 O LEU A 89 -10.651 8.195 -0.296 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.354 5.194 -0.404 1.00 0.00 C ATOM 1289 CG LEU A 89 -10.029 5.493 0.297 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.621 4.329 1.186 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -8.941 5.793 -0.724 1.00 0.00 C ATOM 0 H LEU A 89 -12.382 5.432 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.833 6.737 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.996 4.653 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.156 4.526 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.163 6.374 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.676 4.560 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.390 4.160 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.505 3.431 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.005 6.004 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.808 4.931 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.229 6.659 -1.319 1.00 0.00 H new ATOM 1303 N VAL A 90 -10.913 7.804 -2.496 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.012 8.875 -2.905 1.00 0.00 C ATOM 1305 C VAL A 90 -10.755 10.199 -3.038 1.00 0.00 C ATOM 1306 O VAL A 90 -10.225 11.259 -2.702 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.324 8.548 -4.244 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.494 9.730 -4.721 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.464 7.300 -4.111 1.00 0.00 C ATOM 0 H VAL A 90 -11.324 7.280 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.254 8.965 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.094 8.352 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.016 9.480 -5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.141 10.597 -4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.730 9.961 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.986 7.084 -5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.700 7.464 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.090 6.456 -3.820 1.00 0.00 H new ATOM 1319 N THR A 91 -11.988 10.133 -3.530 1.00 0.00 N ATOM 1320 CA THR A 91 -12.805 11.327 -3.708 1.00 0.00 C ATOM 1321 C THR A 91 -13.251 11.893 -2.364 1.00 0.00 C ATOM 1322 O THR A 91 -13.205 13.103 -2.144 1.00 0.00 O ATOM 1323 CB THR A 91 -14.050 11.033 -4.567 1.00 0.00 C ATOM 1324 OG1 THR A 91 -13.655 10.701 -5.904 1.00 0.00 O ATOM 1325 CG2 THR A 91 -14.985 12.231 -4.591 1.00 0.00 C ATOM 0 H THR A 91 -12.443 9.265 -3.812 1.00 0.00 H new ATOM 0 HA THR A 91 -12.184 12.062 -4.221 1.00 0.00 H new ATOM 0 HB THR A 91 -14.579 10.189 -4.125 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.451 10.514 -6.443 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.857 12.000 -5.203 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.306 12.462 -3.575 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.464 13.091 -5.011 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.682 11.010 -1.470 1.00 0.00 N ATOM 1334 CA PHE A 92 -14.138 11.422 -0.147 1.00 0.00 C ATOM 1335 C PHE A 92 -12.995 12.041 0.653 1.00 0.00 C ATOM 1336 O PHE A 92 -13.212 12.919 1.489 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.717 10.226 0.612 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.476 10.612 1.849 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.805 11.045 2.983 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.859 10.544 1.880 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -15.500 11.400 4.124 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.559 10.900 3.017 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.879 11.327 4.140 1.00 0.00 C ATOM 0 H PHE A 92 -13.725 10.005 -1.637 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.917 12.173 -0.276 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.379 9.670 -0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.905 9.554 0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.727 11.106 2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.397 10.209 1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.966 11.734 5.001 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.638 10.844 3.027 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.425 11.604 5.030 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.777 11.579 0.389 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.600 12.086 1.083 1.00 0.00 C ATOM 1355 C HIS A 93 -10.322 13.534 0.694 1.00 0.00 C ATOM 1356 O HIS A 93 -9.889 14.337 1.522 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.382 11.218 0.768 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.289 9.985 1.613 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.758 9.923 2.907 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.778 8.761 1.340 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.539 8.715 3.396 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.946 7.990 2.465 1.00 0.00 N ATOM 0 H HIS A 93 -11.580 10.854 -0.301 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.796 12.047 2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.416 10.927 -0.282 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.478 11.811 0.906 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.323 8.449 0.411 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.800 8.378 4.388 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -8.659 7.016 2.565 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.572 13.861 -0.570 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.348 15.213 -1.068 1.00 0.00 C ATOM 1372 C GLN A 94 -11.060 16.241 -0.195 1.00 0.00 C ATOM 1373 O GLN A 94 -10.730 17.426 -0.221 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.829 15.333 -2.514 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.891 14.693 -3.524 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.475 14.655 -4.922 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -11.479 13.987 -5.170 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -9.848 15.374 -5.846 1.00 0.00 N ATOM 0 H GLN A 94 -10.930 13.208 -1.268 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.277 15.413 -1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.812 14.870 -2.600 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.950 16.388 -2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.951 15.245 -3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.658 13.677 -3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.019 15.913 -5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.196 15.387 -6.805 1.00 0.00 H new ATOM 1387 N GLN A 95 -12.039 15.778 0.576 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.798 16.658 1.456 1.00 0.00 C ATOM 1389 C GLN A 95 -12.523 16.333 2.921 1.00 0.00 C ATOM 1390 O GLN A 95 -12.608 17.203 3.788 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.295 16.535 1.166 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.631 16.549 -0.315 1.00 0.00 C ATOM 1393 CD GLN A 95 -16.124 16.538 -0.576 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.869 17.346 -0.020 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.571 15.620 -1.425 1.00 0.00 N ATOM 0 H GLN A 95 -12.325 14.799 0.609 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.481 17.683 1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.667 15.609 1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.820 17.354 1.657 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.192 17.435 -0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.176 15.683 -0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.919 14.970 -1.863 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.567 15.565 -1.639 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.194 15.074 3.191 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.905 14.633 4.550 1.00 0.00 C ATOM 1406 C LYS A 96 -10.518 14.005 4.636 1.00 0.00 C ATOM 1407 O LYS A 96 -10.258 12.937 4.080 1.00 0.00 O ATOM 1408 CB LYS A 96 -12.961 13.628 5.017 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.155 14.273 5.698 1.00 0.00 C ATOM 1410 CD LYS A 96 -13.940 14.403 7.197 1.00 0.00 C ATOM 1411 CE LYS A 96 -14.124 13.069 7.904 1.00 0.00 C ATOM 1412 NZ LYS A 96 -15.555 12.800 8.219 1.00 0.00 N ATOM 0 H LYS A 96 -12.121 14.341 2.486 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.929 15.507 5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.309 13.054 4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.498 12.921 5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.331 15.259 5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.048 13.678 5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.937 14.783 7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.641 15.132 7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.734 12.268 7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.542 13.063 8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.638 11.882 8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.921 13.550 8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.107 12.780 7.338 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.605 14.681 5.348 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.228 14.206 5.524 1.00 0.00 C ATOM 1428 C PRO A 97 -8.152 12.969 6.414 1.00 0.00 C ATOM 1429 O PRO A 97 -9.160 12.307 6.659 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.528 15.391 6.194 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.617 16.132 6.889 1.00 0.00 C ATOM 1432 CD PRO A 97 -9.844 15.959 6.037 1.00 0.00 C ATOM 0 HA PRO A 97 -7.776 13.905 4.579 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.767 15.054 6.898 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.027 16.021 5.459 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.779 15.737 7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.363 17.186 6.999 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.751 15.926 6.641 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -9.961 16.780 5.330 1.00 0.00 H new ATOM 1440 N ILE A 98 -6.951 12.666 6.893 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.743 11.509 7.757 1.00 0.00 C ATOM 1442 C ILE A 98 -6.699 11.920 9.225 1.00 0.00 C ATOM 1443 O ILE A 98 -6.117 12.947 9.574 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.439 10.769 7.403 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.123 10.930 5.915 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.550 9.297 7.770 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.239 10.467 5.006 1.00 0.00 C ATOM 0 H ILE A 98 -6.107 13.205 6.698 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.587 10.838 7.595 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.623 11.207 7.978 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.909 11.979 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.219 10.368 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.621 8.787 7.514 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.733 9.202 8.840 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.375 8.846 7.219 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.945 10.611 3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.438 9.410 5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.140 11.046 5.212 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.317 11.110 10.079 1.00 0.00 N ATOM 1460 CA GLU A 99 -7.348 11.390 11.509 1.00 0.00 C ATOM 1461 C GLU A 99 -6.045 12.042 11.964 1.00 0.00 C ATOM 1462 O GLU A 99 -6.030 13.148 12.504 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.589 10.102 12.298 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.924 10.091 13.665 1.00 0.00 C ATOM 1465 CD GLU A 99 -7.491 9.025 14.581 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -8.674 9.139 14.965 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -6.751 8.075 14.914 1.00 0.00 O ATOM 0 H GLU A 99 -7.802 10.256 9.805 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.167 12.083 11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.662 9.959 12.424 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.221 9.256 11.717 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.853 9.928 13.543 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.046 11.068 14.132 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.924 11.340 11.741 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.594 11.830 12.120 1.00 0.00 C ATOM 1476 C PRO A 100 -3.145 13.008 11.262 1.00 0.00 C ATOM 1477 O PRO A 100 -2.729 14.044 11.783 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.689 10.619 11.882 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.398 9.813 10.849 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.866 10.015 11.101 1.00 0.00 C ATOM 0 HA PRO A 100 -3.572 12.200 13.145 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.701 10.925 11.536 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.543 10.048 12.799 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.126 10.139 9.845 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.130 8.759 10.925 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.440 9.991 10.174 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.273 9.238 11.748 1.00 0.00 H new ATOM 1488 N ARG A 101 -3.231 12.843 9.946 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.832 13.893 9.017 1.00 0.00 C ATOM 1490 C ARG A 101 -4.051 14.646 8.491 1.00 0.00 C ATOM 1491 O ARG A 101 -4.865 14.090 7.754 1.00 0.00 O ATOM 1492 CB ARG A 101 -2.045 13.297 7.849 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.856 12.454 8.282 1.00 0.00 C ATOM 1494 CD ARG A 101 0.211 13.301 8.959 1.00 0.00 C ATOM 1495 NE ARG A 101 1.127 12.491 9.757 1.00 0.00 N ATOM 1496 CZ ARG A 101 1.918 12.990 10.700 1.00 0.00 C ATOM 1497 NH1 ARG A 101 1.905 14.290 10.961 1.00 0.00 N ATOM 1498 NH2 ARG A 101 2.726 12.188 11.383 1.00 0.00 N ATOM 0 H ARG A 101 -3.573 11.992 9.499 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.196 14.596 9.554 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.715 12.683 7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.692 14.106 7.209 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.191 11.674 8.966 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.428 11.954 7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.775 13.847 8.202 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.267 14.044 9.598 1.00 0.00 H new ATOM 0 HE ARG A 101 1.161 11.487 9.581 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.287 14.909 10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.513 14.671 11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.740 11.188 11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.333 12.572 12.107 1.00 0.00 H new ATOM 1512 N ARG A 102 -4.169 15.912 8.877 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.289 16.741 8.447 1.00 0.00 C ATOM 1514 C ARG A 102 -5.109 17.187 6.999 1.00 0.00 C ATOM 1515 O ARG A 102 -6.035 17.712 6.382 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.426 17.964 9.355 1.00 0.00 C ATOM 1517 CG ARG A 102 -4.295 18.968 9.199 1.00 0.00 C ATOM 1518 CD ARG A 102 -4.620 20.013 8.144 1.00 0.00 C ATOM 1519 NE ARG A 102 -5.280 21.183 8.717 1.00 0.00 N ATOM 1520 CZ ARG A 102 -4.641 22.126 9.400 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -3.332 22.036 9.595 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -5.311 23.161 9.891 1.00 0.00 N ATOM 0 H ARG A 102 -3.503 16.386 9.487 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.198 16.143 8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.373 18.460 9.142 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.466 17.633 10.393 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.109 19.459 10.154 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.378 18.446 8.925 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.701 20.323 7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.262 19.571 7.382 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.287 21.281 8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.814 21.241 9.220 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -2.843 22.761 10.120 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.318 23.233 9.744 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.819 23.885 10.415 1.00 0.00 H new ATOM 1536 N GLU A 103 -3.911 16.976 6.464 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.610 17.358 5.088 1.00 0.00 C ATOM 1538 C GLU A 103 -4.628 16.758 4.123 1.00 0.00 C ATOM 1539 O GLU A 103 -4.888 15.555 4.143 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.200 16.905 4.706 1.00 0.00 C ATOM 1541 CG GLU A 103 -1.122 17.922 5.040 1.00 0.00 C ATOM 1542 CD GLU A 103 -1.462 18.752 6.262 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -1.398 18.209 7.384 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -1.791 19.946 6.097 1.00 0.00 O ATOM 0 H GLU A 103 -3.133 16.543 6.961 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.665 18.444 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.977 15.970 5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.172 16.696 3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.178 17.403 5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.974 18.583 4.186 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.202 17.607 3.277 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.193 17.163 2.302 1.00 0.00 C ATOM 1553 C LEU A 104 -5.538 16.857 0.959 1.00 0.00 C ATOM 1554 O LEU A 104 -4.329 17.031 0.793 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.276 18.229 2.123 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.476 18.133 3.065 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.557 19.122 2.655 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.027 16.715 3.082 1.00 0.00 C ATOM 0 H LEU A 104 -4.998 18.606 3.246 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.651 16.248 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.817 19.209 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.640 18.179 1.097 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.145 18.385 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.403 19.039 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.157 20.135 2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.886 18.901 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.881 16.665 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.343 16.435 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.253 16.028 3.424 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.340 16.402 0.005 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.839 16.074 -1.326 1.00 0.00 C ATOM 1572 C LEU A 105 -6.270 17.125 -2.344 1.00 0.00 C ATOM 1573 O LEU A 105 -7.309 17.768 -2.189 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.341 14.695 -1.755 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.160 13.568 -0.739 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.679 12.253 -1.299 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.696 13.438 -0.342 1.00 0.00 C ATOM 0 H LEU A 105 -7.341 16.251 0.127 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.750 16.060 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.402 14.775 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.828 14.414 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.739 13.813 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.541 11.463 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.739 12.350 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.129 12.002 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.586 12.631 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.098 13.217 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.355 14.373 0.102 1.00 0.00 H new ATOM 1589 N THR A 106 -5.464 17.293 -3.389 1.00 0.00 N ATOM 1590 CA THR A 106 -5.763 18.265 -4.434 1.00 0.00 C ATOM 1591 C THR A 106 -6.028 17.574 -5.767 1.00 0.00 C ATOM 1592 O THR A 106 -7.073 17.779 -6.384 1.00 0.00 O ATOM 1593 CB THR A 106 -4.609 19.270 -4.611 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.620 18.730 -5.495 1.00 0.00 O ATOM 1595 CG2 THR A 106 -3.972 19.604 -3.272 1.00 0.00 C ATOM 0 H THR A 106 -4.601 16.769 -3.534 1.00 0.00 H new ATOM 0 HA THR A 106 -6.659 18.802 -4.121 1.00 0.00 H new ATOM 0 HB THR A 106 -5.017 20.186 -5.039 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.303 19.433 -6.099 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.160 20.315 -3.423 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.721 20.043 -2.612 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.578 18.694 -2.819 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.078 16.755 -6.204 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.211 16.035 -7.464 1.00 0.00 C ATOM 1605 C GLN A 107 -4.395 14.746 -7.445 1.00 0.00 C ATOM 1606 O GLN A 107 -3.395 14.628 -6.737 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.764 16.917 -8.631 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.330 17.406 -8.509 1.00 0.00 C ATOM 1609 CD GLN A 107 -2.935 18.344 -9.633 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -2.628 17.908 -10.743 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -2.941 19.642 -9.351 1.00 0.00 N ATOM 0 H GLN A 107 -4.208 16.573 -5.704 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.262 15.777 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.870 16.357 -9.560 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.428 17.778 -8.700 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.204 17.916 -7.554 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.657 16.549 -8.503 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -3.202 19.960 -8.418 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.685 20.321 -10.068 1.00 0.00 H new ATOM 1620 N PRO A 108 -4.830 13.758 -8.239 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.154 12.461 -8.330 1.00 0.00 C ATOM 1622 C PRO A 108 -2.802 12.559 -9.028 1.00 0.00 C ATOM 1623 O PRO A 108 -2.632 13.341 -9.964 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.123 11.612 -9.158 1.00 0.00 C ATOM 1625 CG PRO A 108 -5.894 12.599 -9.965 1.00 0.00 C ATOM 1626 CD PRO A 108 -6.015 13.829 -9.110 1.00 0.00 C ATOM 0 HA PRO A 108 -3.936 12.046 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.588 10.910 -9.797 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.780 11.024 -8.518 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.382 12.823 -10.901 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.877 12.207 -10.226 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.017 14.738 -9.712 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.939 13.827 -8.532 1.00 0.00 H new ATOM 1634 N CYS A 109 -1.844 11.761 -8.568 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.506 11.759 -9.149 1.00 0.00 C ATOM 1636 C CYS A 109 -0.484 10.984 -10.463 1.00 0.00 C ATOM 1637 O CYS A 109 -1.236 10.026 -10.642 1.00 0.00 O ATOM 1638 CB CYS A 109 0.498 11.153 -8.168 1.00 0.00 C ATOM 1639 SG CYS A 109 2.200 11.119 -8.779 1.00 0.00 S ATOM 0 H CYS A 109 -1.969 11.108 -7.795 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.224 12.792 -9.353 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.469 11.721 -7.238 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.188 10.135 -7.930 1.00 0.00 H new ATOM 0 HG CYS A 109 2.300 10.246 -9.737 1.00 0.00 H new ATOM 1645 N ARG A 110 0.380 11.406 -11.379 1.00 0.00 N ATOM 1646 CA ARG A 110 0.497 10.755 -12.678 1.00 0.00 C ATOM 1647 C ARG A 110 1.734 9.861 -12.728 1.00 0.00 C ATOM 1648 O ARG A 110 2.730 10.129 -12.057 1.00 0.00 O ATOM 1649 CB ARG A 110 0.563 11.798 -13.793 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.174 13.087 -13.465 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.682 12.898 -13.530 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.400 14.149 -13.296 1.00 0.00 N ATOM 1653 CZ ARG A 110 -3.699 14.302 -13.522 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -4.420 13.290 -13.986 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -4.281 15.471 -13.284 1.00 0.00 N ATOM 0 H ARG A 110 1.010 12.197 -11.246 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.386 10.134 -12.825 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.608 12.029 -14.001 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.143 11.371 -14.704 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.109 13.426 -12.468 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.127 13.867 -14.164 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.956 12.500 -14.507 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -1.987 12.160 -12.788 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.875 14.948 -12.940 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.977 12.390 -14.170 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.418 13.412 -14.158 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.730 16.252 -12.927 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.279 15.588 -13.458 1.00 0.00 H new ATOM 1669 N GLN A 111 1.661 8.802 -13.528 1.00 0.00 N ATOM 1670 CA GLN A 111 2.775 7.871 -13.664 1.00 0.00 C ATOM 1671 C GLN A 111 4.091 8.618 -13.847 1.00 0.00 C ATOM 1672 O GLN A 111 4.107 9.840 -14.001 1.00 0.00 O ATOM 1673 CB GLN A 111 2.539 6.931 -14.848 1.00 0.00 C ATOM 1674 CG GLN A 111 1.483 5.871 -14.583 1.00 0.00 C ATOM 1675 CD GLN A 111 1.463 5.416 -13.136 1.00 0.00 C ATOM 1676 OE1 GLN A 111 2.374 4.724 -12.679 1.00 0.00 O ATOM 1677 NE2 GLN A 111 0.424 5.802 -12.407 1.00 0.00 N ATOM 0 H GLN A 111 0.843 8.568 -14.091 1.00 0.00 H new ATOM 0 HA GLN A 111 2.838 7.283 -12.748 1.00 0.00 H new ATOM 0 HB2 GLN A 111 2.240 7.520 -15.715 1.00 0.00 H new ATOM 0 HB3 GLN A 111 3.478 6.440 -15.104 1.00 0.00 H new ATOM 0 HG2 GLN A 111 0.503 6.266 -14.849 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.667 5.011 -15.228 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.308 6.375 -12.826 1.00 0.00 H new ATOM 0 HE22 GLN A 111 0.358 5.526 -11.427 1.00 0.00 H new ATOM 1686 N LYS A 112 5.194 7.878 -13.830 1.00 0.00 N ATOM 1687 CA LYS A 112 6.516 8.470 -13.995 1.00 0.00 C ATOM 1688 C LYS A 112 7.028 8.268 -15.417 1.00 0.00 C ATOM 1689 O LYS A 112 8.012 7.563 -15.639 1.00 0.00 O ATOM 1690 CB LYS A 112 7.500 7.858 -12.995 1.00 0.00 C ATOM 1691 CG LYS A 112 7.660 6.355 -13.142 1.00 0.00 C ATOM 1692 CD LYS A 112 8.154 5.718 -11.855 1.00 0.00 C ATOM 1693 CE LYS A 112 7.651 4.289 -11.711 1.00 0.00 C ATOM 1694 NZ LYS A 112 7.606 3.858 -10.286 1.00 0.00 N ATOM 0 H LYS A 112 5.199 6.866 -13.703 1.00 0.00 H new ATOM 0 HA LYS A 112 6.434 9.540 -13.806 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.473 8.332 -13.119 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.163 8.082 -11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.705 5.913 -13.425 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.362 6.140 -13.948 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.244 5.724 -11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.820 6.310 -11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.655 4.209 -12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.300 3.617 -12.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.008 2.903 -10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.159 4.520 -9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.620 3.850 -9.957 1.00 0.00 H new ATOM 1708 N ASP A 113 6.356 8.893 -16.377 1.00 0.00 N ATOM 1709 CA ASP A 113 6.746 8.784 -17.778 1.00 0.00 C ATOM 1710 C ASP A 113 5.885 9.690 -18.654 1.00 0.00 C ATOM 1711 O ASP A 113 4.671 9.774 -18.472 1.00 0.00 O ATOM 1712 CB ASP A 113 6.626 7.334 -18.252 1.00 0.00 C ATOM 1713 CG ASP A 113 7.276 7.112 -19.604 1.00 0.00 C ATOM 1714 OD1 ASP A 113 6.930 7.844 -20.556 1.00 0.00 O ATOM 1715 OD2 ASP A 113 8.128 6.206 -19.711 1.00 0.00 O ATOM 0 H ASP A 113 5.539 9.480 -16.211 1.00 0.00 H new ATOM 0 HA ASP A 113 7.785 9.103 -17.866 1.00 0.00 H new ATOM 0 HB2 ASP A 113 7.088 6.675 -17.517 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.573 7.059 -18.309 1.00 0.00 H new ATOM 1720 N SER A 114 6.523 10.367 -19.604 1.00 0.00 N ATOM 1721 CA SER A 114 5.817 11.271 -20.504 1.00 0.00 C ATOM 1722 C SER A 114 5.693 10.662 -21.897 1.00 0.00 C ATOM 1723 O SER A 114 6.584 10.808 -22.733 1.00 0.00 O ATOM 1724 CB SER A 114 6.544 12.615 -20.585 1.00 0.00 C ATOM 1725 OG SER A 114 6.287 13.404 -19.436 1.00 0.00 O ATOM 0 H SER A 114 7.528 10.306 -19.770 1.00 0.00 H new ATOM 0 HA SER A 114 4.815 11.432 -20.106 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.617 12.447 -20.682 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.224 13.152 -21.478 1.00 0.00 H new ATOM 0 HG SER A 114 6.764 14.257 -19.511 1.00 0.00 H new ATOM 1731 N GLY A 115 4.579 9.977 -22.141 1.00 0.00 N ATOM 1732 CA GLY A 115 4.357 9.356 -23.433 1.00 0.00 C ATOM 1733 C GLY A 115 3.430 10.169 -24.315 1.00 0.00 C ATOM 1734 O GLY A 115 2.842 11.162 -23.887 1.00 0.00 O ATOM 0 H GLY A 115 3.826 9.842 -21.466 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.313 9.226 -23.939 1.00 0.00 H new ATOM 0 HA3 GLY A 115 3.935 8.362 -23.287 1.00 0.00 H new ATOM 1738 N PRO A 116 3.291 9.747 -25.582 1.00 0.00 N ATOM 1739 CA PRO A 116 2.432 10.429 -26.553 1.00 0.00 C ATOM 1740 C PRO A 116 0.950 10.265 -26.232 1.00 0.00 C ATOM 1741 O PRO A 116 0.312 9.311 -26.676 1.00 0.00 O ATOM 1742 CB PRO A 116 2.773 9.737 -27.875 1.00 0.00 C ATOM 1743 CG PRO A 116 3.265 8.388 -27.481 1.00 0.00 C ATOM 1744 CD PRO A 116 3.962 8.571 -26.160 1.00 0.00 C ATOM 0 HA PRO A 116 2.603 11.506 -26.563 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.898 9.666 -28.522 1.00 0.00 H new ATOM 0 HB3 PRO A 116 3.533 10.290 -28.427 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.439 7.682 -27.392 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.948 7.987 -28.230 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.854 7.693 -25.523 1.00 0.00 H new ATOM 0 HD3 PRO A 116 5.031 8.741 -26.289 1.00 0.00 H new ATOM 1752 N SER A 117 0.410 11.202 -25.459 1.00 0.00 N ATOM 1753 CA SER A 117 -0.997 11.159 -25.077 1.00 0.00 C ATOM 1754 C SER A 117 -1.533 12.564 -24.818 1.00 0.00 C ATOM 1755 O SER A 117 -0.897 13.367 -24.136 1.00 0.00 O ATOM 1756 CB SER A 117 -1.181 10.293 -23.829 1.00 0.00 C ATOM 1757 OG SER A 117 -0.895 8.932 -24.105 1.00 0.00 O ATOM 0 H SER A 117 0.925 11.999 -25.085 1.00 0.00 H new ATOM 0 HA SER A 117 -1.559 10.721 -25.902 1.00 0.00 H new ATOM 0 HB2 SER A 117 -0.527 10.651 -23.034 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.204 10.386 -23.466 1.00 0.00 H new ATOM 0 HG SER A 117 -0.597 8.842 -25.034 1.00 0.00 H new ATOM 1763 N SER A 118 -2.707 12.853 -25.370 1.00 0.00 N ATOM 1764 CA SER A 118 -3.328 14.162 -25.203 1.00 0.00 C ATOM 1765 C SER A 118 -4.695 14.034 -24.536 1.00 0.00 C ATOM 1766 O SER A 118 -5.469 13.132 -24.851 1.00 0.00 O ATOM 1767 CB SER A 118 -3.472 14.858 -26.557 1.00 0.00 C ATOM 1768 OG SER A 118 -4.227 14.067 -27.459 1.00 0.00 O ATOM 0 H SER A 118 -3.247 12.199 -25.936 1.00 0.00 H new ATOM 0 HA SER A 118 -2.684 14.763 -24.560 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.957 15.825 -26.423 1.00 0.00 H new ATOM 0 HB3 SER A 118 -2.485 15.052 -26.977 1.00 0.00 H new ATOM 0 HG SER A 118 -4.306 14.534 -28.317 1.00 0.00 H new ATOM 1774 N GLY A 119 -4.982 14.945 -23.611 1.00 0.00 N ATOM 1775 CA GLY A 119 -6.255 14.917 -22.914 1.00 0.00 C ATOM 1776 C GLY A 119 -6.415 16.079 -21.953 1.00 0.00 C ATOM 1777 O GLY A 119 -7.070 15.951 -20.919 1.00 0.00 O ATOM 0 H GLY A 119 -4.357 15.701 -23.332 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -7.065 14.938 -23.643 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -6.344 13.980 -22.364 1.00 0.00 H new TER 1781 GLY A 119