USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 814 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 74 THR OG1 : rot -83:sc= 1.03 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 62 THR OG1 : rot 130:sc= 0.16 USER MOD Set 2.2: A 66 GLN : amide:sc= 1.13 K(o=1.3,f=-0.8) USER MOD Set 3.1: A 19 HIS :FLIP no HE2:sc= -13.9! C(o=-21!,f=-19!) USER MOD Set 3.2: A 21 MET CE :methyl -127:sc= -3.84! (180deg=0) USER MOD Set 3.3: A 87 HIS : no HD1:sc= -1.52 K(o=-19,f=-20) USER MOD Set 4.1: A 14 THR OG1 : rot 130:sc= -0.676 USER MOD Set 4.2: A 90 GLN : amide:sc= -0.539 X(o=-1.2,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0686 (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 35:sc= 0.986 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.1!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.48) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.0035) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0484 USER MOD Single : A 32 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.2!) USER MOD Single : A 35 GLN : amide:sc= -6.54! C(o=-6.5!,f=-6.4!) USER MOD Single : A 44 SER OG : rot -160:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -4.61! C(o=-4.6!,f=-4.3!) USER MOD Single : A 46 HIS : no HE2:sc= -1.35 K(o=-1.4,f=-5.5!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0017) USER MOD Single : A 53 ASN : amide:sc= -0.0457 K(o=-0.046,f=-1.6) USER MOD Single : A 59 MET CE :methyl -176:sc= -3.33 (180deg=-3.35) USER MOD Single : A 61 THR OG1 : rot -10:sc= 1.06 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= -0.0432 (180deg=-0.219) USER MOD Single : A 89 SER OG : rot 180:sc= 0.108 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 121:sc= 1.47 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 45:sc= 0.792 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.446 12.164 12.014 1.00 0.00 N ATOM 2 CA GLY A 1 -10.600 11.178 10.961 1.00 0.00 C ATOM 3 C GLY A 1 -11.603 10.099 11.318 1.00 0.00 C ATOM 4 O GLY A 1 -11.927 9.907 12.489 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.766 13.092 11.670 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.016 11.884 12.837 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.445 12.223 12.290 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.918 11.676 10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.634 10.718 10.755 1.00 0.00 H new ATOM 8 N SER A 2 -12.098 9.395 10.304 1.00 0.00 N ATOM 9 CA SER A 2 -13.075 8.333 10.517 1.00 0.00 C ATOM 10 C SER A 2 -12.537 6.993 10.023 1.00 0.00 C ATOM 11 O SER A 2 -11.897 6.918 8.974 1.00 0.00 O ATOM 12 CB SER A 2 -14.384 8.666 9.798 1.00 0.00 C ATOM 13 OG SER A 2 -15.499 8.157 10.509 1.00 0.00 O ATOM 0 H SER A 2 -11.839 9.541 9.328 1.00 0.00 H new ATOM 0 HA SER A 2 -13.265 8.256 11.588 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.479 9.747 9.691 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.367 8.246 8.792 1.00 0.00 H new ATOM 0 HG SER A 2 -16.324 8.384 10.031 1.00 0.00 H new ATOM 19 N SER A 3 -12.802 5.939 10.788 1.00 0.00 N ATOM 20 CA SER A 3 -12.342 4.602 10.432 1.00 0.00 C ATOM 21 C SER A 3 -13.491 3.759 9.888 1.00 0.00 C ATOM 22 O SER A 3 -14.657 4.005 10.196 1.00 0.00 O ATOM 23 CB SER A 3 -11.720 3.913 11.648 1.00 0.00 C ATOM 24 OG SER A 3 -10.602 4.638 12.129 1.00 0.00 O ATOM 0 H SER A 3 -13.333 5.985 11.658 1.00 0.00 H new ATOM 0 HA SER A 3 -11.586 4.700 9.653 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.465 3.821 12.438 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.414 2.902 11.380 1.00 0.00 H new ATOM 0 HG SER A 3 -10.224 4.178 12.907 1.00 0.00 H new ATOM 30 N GLY A 4 -13.153 2.762 9.076 1.00 0.00 N ATOM 31 CA GLY A 4 -14.167 1.896 8.502 1.00 0.00 C ATOM 32 C GLY A 4 -14.044 1.780 6.995 1.00 0.00 C ATOM 33 O GLY A 4 -15.037 1.883 6.275 1.00 0.00 O ATOM 0 H GLY A 4 -12.195 2.538 8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.088 0.904 8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.155 2.281 8.754 1.00 0.00 H new ATOM 37 N SER A 5 -12.822 1.566 6.517 1.00 0.00 N ATOM 38 CA SER A 5 -12.572 1.441 5.087 1.00 0.00 C ATOM 39 C SER A 5 -13.483 0.387 4.466 1.00 0.00 C ATOM 40 O SER A 5 -13.296 -0.811 4.673 1.00 0.00 O ATOM 41 CB SER A 5 -11.108 1.078 4.833 1.00 0.00 C ATOM 42 OG SER A 5 -10.792 -0.187 5.387 1.00 0.00 O ATOM 0 H SER A 5 -11.990 1.476 7.100 1.00 0.00 H new ATOM 0 HA SER A 5 -12.787 2.403 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.914 1.067 3.761 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.461 1.840 5.267 1.00 0.00 H new ATOM 0 HG SER A 5 -11.567 -0.782 5.307 1.00 0.00 H new ATOM 48 N SER A 6 -14.471 0.844 3.702 1.00 0.00 N ATOM 49 CA SER A 6 -15.415 -0.057 3.053 1.00 0.00 C ATOM 50 C SER A 6 -15.674 0.372 1.611 1.00 0.00 C ATOM 51 O SER A 6 -15.205 1.420 1.171 1.00 0.00 O ATOM 52 CB SER A 6 -16.733 -0.096 3.830 1.00 0.00 C ATOM 53 OG SER A 6 -16.943 -1.369 4.415 1.00 0.00 O ATOM 0 H SER A 6 -14.638 1.833 3.518 1.00 0.00 H new ATOM 0 HA SER A 6 -14.977 -1.055 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.723 0.668 4.608 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.560 0.141 3.161 1.00 0.00 H new ATOM 0 HG SER A 6 -17.791 -1.367 4.907 1.00 0.00 H new ATOM 59 N GLY A 7 -16.425 -0.448 0.882 1.00 0.00 N ATOM 60 CA GLY A 7 -16.733 -0.137 -0.501 1.00 0.00 C ATOM 61 C GLY A 7 -18.222 0.013 -0.743 1.00 0.00 C ATOM 62 O GLY A 7 -19.024 -0.749 -0.206 1.00 0.00 O ATOM 0 H GLY A 7 -16.825 -1.321 1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.227 0.786 -0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.341 -0.925 -1.144 1.00 0.00 H new ATOM 66 N GLN A 8 -18.591 1.000 -1.554 1.00 0.00 N ATOM 67 CA GLN A 8 -19.994 1.249 -1.864 1.00 0.00 C ATOM 68 C GLN A 8 -20.152 1.784 -3.284 1.00 0.00 C ATOM 69 O GLN A 8 -19.166 2.068 -3.964 1.00 0.00 O ATOM 70 CB GLN A 8 -20.592 2.239 -0.863 1.00 0.00 C ATOM 71 CG GLN A 8 -19.876 3.579 -0.832 1.00 0.00 C ATOM 72 CD GLN A 8 -18.920 3.702 0.339 1.00 0.00 C ATOM 73 OE1 GLN A 8 -19.055 3.002 1.342 1.00 0.00 O ATOM 74 NE2 GLN A 8 -17.945 4.597 0.216 1.00 0.00 N ATOM 0 H GLN A 8 -17.938 1.639 -2.008 1.00 0.00 H new ATOM 0 HA GLN A 8 -20.529 0.302 -1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -21.641 2.403 -1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.563 1.798 0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -19.324 3.714 -1.762 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -20.614 4.380 -0.780 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.870 5.156 -0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.271 4.724 0.971 1.00 0.00 H new ATOM 83 N LYS A 9 -21.398 1.922 -3.724 1.00 0.00 N ATOM 84 CA LYS A 9 -21.685 2.424 -5.062 1.00 0.00 C ATOM 85 C LYS A 9 -21.502 3.936 -5.126 1.00 0.00 C ATOM 86 O LYS A 9 -21.779 4.562 -6.148 1.00 0.00 O ATOM 87 CB LYS A 9 -23.114 2.055 -5.472 1.00 0.00 C ATOM 88 CG LYS A 9 -24.156 2.408 -4.426 1.00 0.00 C ATOM 89 CD LYS A 9 -24.954 1.187 -3.999 1.00 0.00 C ATOM 90 CE LYS A 9 -24.434 0.613 -2.690 1.00 0.00 C ATOM 91 NZ LYS A 9 -25.527 0.022 -1.870 1.00 0.00 N ATOM 0 H LYS A 9 -22.225 1.693 -3.173 1.00 0.00 H new ATOM 0 HA LYS A 9 -20.983 1.961 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -23.359 2.565 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -23.161 0.985 -5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -23.666 2.846 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -24.832 3.164 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -26.004 1.458 -3.888 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -24.902 0.426 -4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -23.685 -0.150 -2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -23.937 1.399 -2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -25.131 -0.358 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -26.230 0.756 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -25.985 -0.745 -2.403 1.00 0.00 H new ATOM 105 N GLY A 10 -21.033 4.519 -4.027 1.00 0.00 N ATOM 106 CA GLY A 10 -20.819 5.953 -3.979 1.00 0.00 C ATOM 107 C GLY A 10 -19.380 6.335 -4.265 1.00 0.00 C ATOM 108 O GLY A 10 -18.462 5.873 -3.588 1.00 0.00 O ATOM 0 H GLY A 10 -20.797 4.022 -3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -21.472 6.439 -4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.102 6.327 -2.995 1.00 0.00 H new ATOM 112 N ARG A 11 -19.183 7.180 -5.272 1.00 0.00 N ATOM 113 CA ARG A 11 -17.846 7.621 -5.648 1.00 0.00 C ATOM 114 C ARG A 11 -17.430 8.848 -4.840 1.00 0.00 C ATOM 115 O ARG A 11 -18.217 9.775 -4.652 1.00 0.00 O ATOM 116 CB ARG A 11 -17.792 7.940 -7.143 1.00 0.00 C ATOM 117 CG ARG A 11 -17.923 6.714 -8.032 1.00 0.00 C ATOM 118 CD ARG A 11 -17.938 7.093 -9.504 1.00 0.00 C ATOM 119 NE ARG A 11 -19.294 7.123 -10.048 1.00 0.00 N ATOM 120 CZ ARG A 11 -19.991 6.032 -10.345 1.00 0.00 C ATOM 121 NH1 ARG A 11 -19.463 4.832 -10.151 1.00 0.00 N ATOM 122 NH2 ARG A 11 -21.219 6.142 -10.837 1.00 0.00 N ATOM 0 H ARG A 11 -19.933 7.573 -5.842 1.00 0.00 H new ATOM 0 HA ARG A 11 -17.150 6.811 -5.431 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -18.591 8.641 -7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.850 8.441 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.094 6.033 -7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -18.840 6.179 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.475 8.071 -9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -17.337 6.380 -10.068 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.729 8.032 -10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -18.520 4.745 -9.773 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.000 3.996 -10.380 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.628 7.064 -10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.754 5.304 -11.065 1.00 0.00 H new ATOM 136 N VAL A 12 -16.189 8.845 -4.364 1.00 0.00 N ATOM 137 CA VAL A 12 -15.670 9.957 -3.578 1.00 0.00 C ATOM 138 C VAL A 12 -14.385 10.508 -4.187 1.00 0.00 C ATOM 139 O VAL A 12 -14.014 11.656 -3.943 1.00 0.00 O ATOM 140 CB VAL A 12 -15.394 9.534 -2.122 1.00 0.00 C ATOM 141 CG1 VAL A 12 -16.524 9.987 -1.211 1.00 0.00 C ATOM 142 CG2 VAL A 12 -15.198 8.028 -2.033 1.00 0.00 C ATOM 0 H VAL A 12 -15.525 8.085 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.435 10.734 -3.585 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.475 10.017 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.311 9.679 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.612 11.073 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.460 9.534 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.004 7.747 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.098 7.523 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.351 7.734 -2.653 1.00 0.00 H new ATOM 152 N GLU A 13 -13.711 9.682 -4.980 1.00 0.00 N ATOM 153 CA GLU A 13 -12.468 10.088 -5.625 1.00 0.00 C ATOM 154 C GLU A 13 -11.669 11.025 -4.724 1.00 0.00 C ATOM 155 O GLU A 13 -11.802 12.246 -4.805 1.00 0.00 O ATOM 156 CB GLU A 13 -12.759 10.773 -6.961 1.00 0.00 C ATOM 157 CG GLU A 13 -13.141 9.807 -8.070 1.00 0.00 C ATOM 158 CD GLU A 13 -14.354 10.269 -8.855 1.00 0.00 C ATOM 159 OE1 GLU A 13 -15.317 10.754 -8.225 1.00 0.00 O ATOM 160 OE2 GLU A 13 -14.340 10.147 -10.097 1.00 0.00 O ATOM 0 H GLU A 13 -14.004 8.728 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.874 9.192 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.567 11.492 -6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.879 11.337 -7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.297 9.688 -8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.344 8.827 -7.639 1.00 0.00 H new ATOM 167 N THR A 14 -10.837 10.444 -3.864 1.00 0.00 N ATOM 168 CA THR A 14 -10.018 11.226 -2.946 1.00 0.00 C ATOM 169 C THR A 14 -8.540 10.888 -3.104 1.00 0.00 C ATOM 170 O THR A 14 -8.179 9.969 -3.840 1.00 0.00 O ATOM 171 CB THR A 14 -10.433 10.989 -1.482 1.00 0.00 C ATOM 172 OG1 THR A 14 -9.781 11.936 -0.629 1.00 0.00 O ATOM 173 CG2 THR A 14 -10.081 9.576 -1.041 1.00 0.00 C ATOM 0 H THR A 14 -10.713 9.435 -3.785 1.00 0.00 H new ATOM 0 HA THR A 14 -10.177 12.275 -3.196 1.00 0.00 H new ATOM 0 HB THR A 14 -11.513 11.117 -1.409 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.443 12.360 -0.045 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.384 9.433 -0.004 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.602 8.857 -1.674 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.005 9.425 -1.129 1.00 0.00 H new ATOM 181 N ARG A 15 -7.689 11.636 -2.410 1.00 0.00 N ATOM 182 CA ARG A 15 -6.250 11.415 -2.474 1.00 0.00 C ATOM 183 C ARG A 15 -5.932 9.928 -2.590 1.00 0.00 C ATOM 184 O ARG A 15 -6.707 9.080 -2.145 1.00 0.00 O ATOM 185 CB ARG A 15 -5.567 11.998 -1.236 1.00 0.00 C ATOM 186 CG ARG A 15 -4.143 12.466 -1.489 1.00 0.00 C ATOM 187 CD ARG A 15 -3.618 13.304 -0.334 1.00 0.00 C ATOM 188 NE ARG A 15 -4.086 14.686 -0.404 1.00 0.00 N ATOM 189 CZ ARG A 15 -3.571 15.674 0.320 1.00 0.00 C ATOM 190 NH1 ARG A 15 -2.577 15.433 1.164 1.00 0.00 N ATOM 191 NH2 ARG A 15 -4.050 16.906 0.200 1.00 0.00 N ATOM 0 H ARG A 15 -7.971 12.401 -1.797 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.870 11.920 -3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.156 12.838 -0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.558 11.245 -0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.496 11.602 -1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.109 13.050 -2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.936 12.861 0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.528 13.289 -0.341 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.850 14.905 -1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.206 14.488 1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.183 16.193 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.814 17.095 -0.448 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.654 17.664 0.756 1.00 0.00 H new ATOM 205 N ARG A 16 -4.789 9.616 -3.193 1.00 0.00 N ATOM 206 CA ARG A 16 -4.370 8.231 -3.369 1.00 0.00 C ATOM 207 C ARG A 16 -3.244 7.877 -2.402 1.00 0.00 C ATOM 208 O ARG A 16 -2.100 8.293 -2.585 1.00 0.00 O ATOM 209 CB ARG A 16 -3.914 7.993 -4.810 1.00 0.00 C ATOM 210 CG ARG A 16 -4.566 8.925 -5.818 1.00 0.00 C ATOM 211 CD ARG A 16 -3.791 10.226 -5.958 1.00 0.00 C ATOM 212 NE ARG A 16 -4.634 11.394 -5.714 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.254 12.640 -5.970 1.00 0.00 C ATOM 214 NH1 ARG A 16 -3.052 12.880 -6.477 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.077 13.650 -5.721 1.00 0.00 N ATOM 0 H ARG A 16 -4.137 10.305 -3.568 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.224 7.589 -3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.832 8.113 -4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.134 6.962 -5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.626 8.430 -6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.588 9.141 -5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.957 10.228 -5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.366 10.289 -6.960 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.565 11.244 -5.326 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.417 12.106 -6.671 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.763 13.838 -6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.003 13.470 -5.332 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.784 14.607 -5.918 1.00 0.00 H new ATOM 229 N VAL A 17 -3.577 7.105 -1.371 1.00 0.00 N ATOM 230 CA VAL A 17 -2.594 6.693 -0.376 1.00 0.00 C ATOM 231 C VAL A 17 -2.822 5.250 0.057 1.00 0.00 C ATOM 232 O VAL A 17 -3.585 4.982 0.985 1.00 0.00 O ATOM 233 CB VAL A 17 -2.639 7.604 0.866 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.711 7.075 1.949 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.275 9.032 0.491 1.00 0.00 C ATOM 0 H VAL A 17 -4.520 6.753 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.614 6.777 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.655 7.604 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.756 7.731 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.022 6.070 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.690 7.044 1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.312 9.662 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.269 9.053 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.983 9.406 -0.248 1.00 0.00 H new ATOM 245 N VAL A 18 -2.154 4.322 -0.621 1.00 0.00 N ATOM 246 CA VAL A 18 -2.283 2.904 -0.306 1.00 0.00 C ATOM 247 C VAL A 18 -1.364 2.512 0.845 1.00 0.00 C ATOM 248 O VAL A 18 -0.142 2.475 0.694 1.00 0.00 O ATOM 249 CB VAL A 18 -1.959 2.026 -1.529 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.757 2.577 -2.279 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.716 0.586 -1.101 1.00 0.00 C ATOM 0 H VAL A 18 -1.518 4.527 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.320 2.737 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.816 2.042 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.543 1.943 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.973 3.590 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.109 2.593 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.488 -0.021 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.877 0.550 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.609 0.196 -0.612 1.00 0.00 H new ATOM 261 N HIS A 19 -1.958 2.220 1.998 1.00 0.00 N ATOM 262 CA HIS A 19 -1.193 1.830 3.176 1.00 0.00 C ATOM 263 C HIS A 19 -0.946 0.324 3.189 1.00 0.00 C ATOM 264 O HIS A 19 -1.822 -0.461 2.822 1.00 0.00 O ATOM 265 CB HIS A 19 -1.927 2.249 4.450 1.00 0.00 C ATOM 266 CG HIS A 19 -1.259 1.785 5.707 1.00 0.00 C ATOM 267 ND1 HIS A 19 0.052 1.710 6.037 1.00 0.00 N flip ATOM 268 CD2 HIS A 19 -1.956 1.325 6.804 1.00 0.00 C flip ATOM 269 CE1 HIS A 19 0.122 1.213 7.315 1.00 0.00 C flip ATOM 270 NE2 HIS A 19 -1.103 0.990 7.756 1.00 0.00 N flip ATOM 0 H HIS A 19 -2.968 2.246 2.141 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.230 2.339 3.137 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.008 3.336 4.472 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.942 1.854 4.421 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.841 1.974 5.446 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.031 1.250 6.874 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.031 1.034 7.870 1.00 0.00 H new ATOM 278 N ILE A 20 0.249 -0.071 3.613 1.00 0.00 N ATOM 279 CA ILE A 20 0.609 -1.482 3.674 1.00 0.00 C ATOM 280 C ILE A 20 1.339 -1.808 4.973 1.00 0.00 C ATOM 281 O ILE A 20 2.283 -1.119 5.355 1.00 0.00 O ATOM 282 CB ILE A 20 1.498 -1.889 2.484 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.863 -1.435 1.167 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.722 -3.393 2.479 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.766 -0.553 0.333 1.00 0.00 C ATOM 0 H ILE A 20 0.984 0.566 3.919 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.322 -2.046 3.631 1.00 0.00 H new ATOM 0 HB ILE A 20 2.466 -1.398 2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.588 -2.314 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.059 -0.895 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.352 -3.664 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.212 -3.691 3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.763 -3.903 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.251 -0.270 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.021 0.344 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.677 -1.097 0.085 1.00 0.00 H new ATOM 297 N MET A 21 0.895 -2.865 5.645 1.00 0.00 N ATOM 298 CA MET A 21 1.509 -3.285 6.900 1.00 0.00 C ATOM 299 C MET A 21 1.814 -4.779 6.883 1.00 0.00 C ATOM 300 O MET A 21 1.386 -5.499 5.982 1.00 0.00 O ATOM 301 CB MET A 21 0.590 -2.953 8.077 1.00 0.00 C ATOM 302 CG MET A 21 -0.158 -1.641 7.914 1.00 0.00 C ATOM 303 SD MET A 21 -1.948 -1.857 7.906 1.00 0.00 S ATOM 304 CE MET A 21 -2.323 -1.510 6.189 1.00 0.00 C ATOM 0 H MET A 21 0.113 -3.446 5.342 1.00 0.00 H new ATOM 0 HA MET A 21 2.447 -2.743 7.016 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.132 -3.760 8.202 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.184 -2.912 8.990 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.119 -0.967 8.724 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.151 -1.165 6.983 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.096 -0.744 6.133 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.424 -1.156 5.685 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.678 -2.419 5.703 1.00 0.00 H new ATOM 314 N ASP A 22 2.558 -5.238 7.884 1.00 0.00 N ATOM 315 CA ASP A 22 2.920 -6.647 7.984 1.00 0.00 C ATOM 316 C ASP A 22 3.964 -7.016 6.935 1.00 0.00 C ATOM 317 O ASP A 22 4.269 -8.191 6.733 1.00 0.00 O ATOM 318 CB ASP A 22 1.680 -7.527 7.818 1.00 0.00 C ATOM 319 CG ASP A 22 1.458 -8.444 9.005 1.00 0.00 C ATOM 320 OD1 ASP A 22 0.876 -7.984 10.010 1.00 0.00 O ATOM 321 OD2 ASP A 22 1.868 -9.622 8.930 1.00 0.00 O ATOM 0 H ASP A 22 2.922 -4.655 8.637 1.00 0.00 H new ATOM 0 HA ASP A 22 3.348 -6.817 8.972 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.804 -6.893 7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.782 -8.127 6.913 1.00 0.00 H new ATOM 326 N PHE A 23 4.508 -6.003 6.269 1.00 0.00 N ATOM 327 CA PHE A 23 5.518 -6.220 5.239 1.00 0.00 C ATOM 328 C PHE A 23 6.923 -6.132 5.826 1.00 0.00 C ATOM 329 O PHE A 23 7.215 -5.250 6.632 1.00 0.00 O ATOM 330 CB PHE A 23 5.358 -5.195 4.114 1.00 0.00 C ATOM 331 CG PHE A 23 5.817 -3.815 4.491 1.00 0.00 C ATOM 332 CD1 PHE A 23 4.937 -2.912 5.067 1.00 0.00 C ATOM 333 CD2 PHE A 23 7.127 -3.421 4.272 1.00 0.00 C ATOM 334 CE1 PHE A 23 5.356 -1.642 5.413 1.00 0.00 C ATOM 335 CE2 PHE A 23 7.552 -2.153 4.618 1.00 0.00 C ATOM 336 CZ PHE A 23 6.665 -1.262 5.190 1.00 0.00 C ATOM 0 H PHE A 23 4.267 -5.024 6.424 1.00 0.00 H new ATOM 0 HA PHE A 23 5.376 -7.221 4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.921 -5.532 3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.310 -5.153 3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.913 -3.204 5.247 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.825 -4.114 3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.660 -0.946 5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.576 -1.859 4.442 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.994 -0.270 5.462 1.00 0.00 H new ATOM 346 N GLN A 24 7.788 -7.055 5.417 1.00 0.00 N ATOM 347 CA GLN A 24 9.162 -7.082 5.904 1.00 0.00 C ATOM 348 C GLN A 24 10.087 -6.311 4.969 1.00 0.00 C ATOM 349 O GLN A 24 9.654 -5.800 3.935 1.00 0.00 O ATOM 350 CB GLN A 24 9.647 -8.527 6.042 1.00 0.00 C ATOM 351 CG GLN A 24 8.871 -9.334 7.070 1.00 0.00 C ATOM 352 CD GLN A 24 8.949 -8.737 8.461 1.00 0.00 C ATOM 353 OE1 GLN A 24 9.975 -8.180 8.853 1.00 0.00 O ATOM 354 NE2 GLN A 24 7.863 -8.851 9.216 1.00 0.00 N ATOM 0 H GLN A 24 7.562 -7.793 4.750 1.00 0.00 H new ATOM 0 HA GLN A 24 9.183 -6.603 6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.572 -9.021 5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.702 -8.523 6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.827 -9.397 6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.258 -10.353 7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.035 -9.321 8.850 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.857 -8.469 10.162 1.00 0.00 H new ATOM 363 N ARG A 25 11.360 -6.229 5.339 1.00 0.00 N ATOM 364 CA ARG A 25 12.346 -5.516 4.534 1.00 0.00 C ATOM 365 C ARG A 25 13.496 -6.439 4.143 1.00 0.00 C ATOM 366 O ARG A 25 13.641 -7.533 4.687 1.00 0.00 O ATOM 367 CB ARG A 25 12.884 -4.307 5.301 1.00 0.00 C ATOM 368 CG ARG A 25 11.811 -3.304 5.690 1.00 0.00 C ATOM 369 CD ARG A 25 12.333 -1.876 5.623 1.00 0.00 C ATOM 370 NE ARG A 25 12.402 -1.257 6.944 1.00 0.00 N ATOM 371 CZ ARG A 25 11.331 -0.923 7.656 1.00 0.00 C ATOM 372 NH1 ARG A 25 10.116 -1.147 7.176 1.00 0.00 N ATOM 373 NH2 ARG A 25 11.476 -0.363 8.850 1.00 0.00 N ATOM 0 H ARG A 25 11.734 -6.647 6.191 1.00 0.00 H new ATOM 0 HA ARG A 25 11.855 -5.170 3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.388 -4.655 6.203 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.634 -3.805 4.690 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.953 -3.411 5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.460 -3.518 6.700 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.324 -1.873 5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.685 -1.283 4.978 1.00 0.00 H new ATOM 0 HE ARG A 25 13.323 -1.071 7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.002 -1.577 6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.295 -0.890 7.725 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.410 -0.189 9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.654 -0.107 9.396 1.00 0.00 H new ATOM 387 N GLY A 26 14.313 -5.987 3.195 1.00 0.00 N ATOM 388 CA GLY A 26 15.440 -6.785 2.746 1.00 0.00 C ATOM 389 C GLY A 26 16.418 -5.986 1.908 1.00 0.00 C ATOM 390 O GLY A 26 17.264 -5.269 2.442 1.00 0.00 O ATOM 0 H GLY A 26 14.215 -5.084 2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.959 -7.195 3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.074 -7.631 2.164 1.00 0.00 H new ATOM 394 N LYS A 27 16.303 -6.109 0.590 1.00 0.00 N ATOM 395 CA LYS A 27 17.184 -5.394 -0.325 1.00 0.00 C ATOM 396 C LYS A 27 16.378 -4.541 -1.301 1.00 0.00 C ATOM 397 O LYS A 27 16.551 -3.324 -1.365 1.00 0.00 O ATOM 398 CB LYS A 27 18.060 -6.381 -1.098 1.00 0.00 C ATOM 399 CG LYS A 27 17.276 -7.490 -1.777 1.00 0.00 C ATOM 400 CD LYS A 27 18.114 -8.746 -1.943 1.00 0.00 C ATOM 401 CE LYS A 27 18.337 -9.077 -3.411 1.00 0.00 C ATOM 402 NZ LYS A 27 19.243 -10.246 -3.584 1.00 0.00 N ATOM 0 H LYS A 27 15.608 -6.698 0.132 1.00 0.00 H new ATOM 0 HA LYS A 27 17.822 -4.736 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.628 -5.836 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.783 -6.825 -0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.387 -7.720 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.933 -7.149 -2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.076 -8.611 -1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.618 -9.583 -1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.379 -9.287 -3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.761 -8.211 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.370 -10.440 -4.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 20.166 -10.036 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.827 -11.079 -3.122 1.00 0.00 H new ATOM 416 N ASN A 28 15.498 -5.187 -2.057 1.00 0.00 N ATOM 417 CA ASN A 28 14.664 -4.488 -3.029 1.00 0.00 C ATOM 418 C ASN A 28 13.221 -4.401 -2.544 1.00 0.00 C ATOM 419 O ASN A 28 12.282 -4.449 -3.341 1.00 0.00 O ATOM 420 CB ASN A 28 14.718 -5.198 -4.382 1.00 0.00 C ATOM 421 CG ASN A 28 16.106 -5.174 -4.994 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.608 -6.197 -5.460 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.732 -4.003 -4.993 1.00 0.00 N ATOM 0 H ASN A 28 15.343 -6.194 -2.016 1.00 0.00 H new ATOM 0 HA ASN A 28 15.052 -3.476 -3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.396 -6.232 -4.259 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.014 -4.724 -5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.668 -3.925 -5.390 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.276 -3.181 -4.596 1.00 0.00 H new ATOM 430 N LEU A 29 13.049 -4.273 -1.233 1.00 0.00 N ATOM 431 CA LEU A 29 11.719 -4.179 -0.641 1.00 0.00 C ATOM 432 C LEU A 29 10.928 -3.030 -1.259 1.00 0.00 C ATOM 433 O LEU A 29 9.833 -3.230 -1.785 1.00 0.00 O ATOM 434 CB LEU A 29 11.825 -3.983 0.873 1.00 0.00 C ATOM 435 CG LEU A 29 10.515 -3.694 1.606 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.156 -2.221 1.497 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.393 -4.561 1.054 1.00 0.00 C ATOM 0 H LEU A 29 13.814 -4.232 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 29 11.191 -5.111 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.269 -4.880 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.515 -3.161 1.065 1.00 0.00 H new ATOM 0 HG LEU A 29 10.650 -3.936 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.221 -2.034 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.949 -1.619 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.040 -1.951 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.468 -4.342 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.259 -4.350 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.647 -5.613 1.186 1.00 0.00 H new ATOM 449 N ARG A 30 11.491 -1.828 -1.194 1.00 0.00 N ATOM 450 CA ARG A 30 10.839 -0.648 -1.748 1.00 0.00 C ATOM 451 C ARG A 30 10.169 -0.972 -3.080 1.00 0.00 C ATOM 452 O ARG A 30 9.202 -0.319 -3.476 1.00 0.00 O ATOM 453 CB ARG A 30 11.855 0.480 -1.938 1.00 0.00 C ATOM 454 CG ARG A 30 11.312 1.664 -2.723 1.00 0.00 C ATOM 455 CD ARG A 30 12.430 2.574 -3.202 1.00 0.00 C ATOM 456 NE ARG A 30 13.632 2.445 -2.382 1.00 0.00 N ATOM 457 CZ ARG A 30 14.841 2.817 -2.785 1.00 0.00 C ATOM 458 NH1 ARG A 30 15.008 3.340 -3.993 1.00 0.00 N ATOM 459 NH2 ARG A 30 15.886 2.667 -1.982 1.00 0.00 N ATOM 0 H ARG A 30 12.397 -1.646 -0.763 1.00 0.00 H new ATOM 0 HA ARG A 30 10.072 -0.323 -1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.188 0.826 -0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.731 0.085 -2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.743 1.304 -3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.622 2.231 -2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.671 2.337 -4.238 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.088 3.609 -3.183 1.00 0.00 H new ATOM 0 HE ARG A 30 13.537 2.047 -1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.207 3.457 -4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.938 3.625 -4.301 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.762 2.265 -1.053 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.814 2.953 -2.294 1.00 0.00 H new ATOM 473 N TYR A 31 10.686 -1.984 -3.766 1.00 0.00 N ATOM 474 CA TYR A 31 10.140 -2.394 -5.054 1.00 0.00 C ATOM 475 C TYR A 31 9.009 -3.402 -4.871 1.00 0.00 C ATOM 476 O TYR A 31 7.995 -3.345 -5.566 1.00 0.00 O ATOM 477 CB TYR A 31 11.240 -2.998 -5.930 1.00 0.00 C ATOM 478 CG TYR A 31 10.731 -4.016 -6.925 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.563 -5.347 -6.563 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.417 -3.648 -8.227 1.00 0.00 C ATOM 481 CE1 TYR A 31 10.100 -6.281 -7.469 1.00 0.00 C ATOM 482 CE2 TYR A 31 9.951 -4.575 -9.138 1.00 0.00 C ATOM 483 CZ TYR A 31 9.794 -5.890 -8.756 1.00 0.00 C ATOM 484 OH TYR A 31 9.331 -6.816 -9.661 1.00 0.00 O ATOM 0 H TYR A 31 11.484 -2.537 -3.451 1.00 0.00 H new ATOM 0 HA TYR A 31 9.737 -1.509 -5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.745 -2.196 -6.469 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.985 -3.470 -5.289 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.799 -5.657 -5.556 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.539 -2.619 -8.532 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.978 -7.312 -7.171 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.710 -4.271 -10.146 1.00 0.00 H new ATOM 0 HH TYR A 31 9.162 -6.377 -10.521 1.00 0.00 H new ATOM 494 N GLN A 32 9.192 -4.322 -3.930 1.00 0.00 N ATOM 495 CA GLN A 32 8.189 -5.343 -3.655 1.00 0.00 C ATOM 496 C GLN A 32 6.830 -4.709 -3.375 1.00 0.00 C ATOM 497 O GLN A 32 5.813 -5.122 -3.932 1.00 0.00 O ATOM 498 CB GLN A 32 8.618 -6.203 -2.465 1.00 0.00 C ATOM 499 CG GLN A 32 9.912 -6.965 -2.702 1.00 0.00 C ATOM 500 CD GLN A 32 9.675 -8.379 -3.196 1.00 0.00 C ATOM 501 OE1 GLN A 32 8.607 -8.953 -2.980 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.670 -8.947 -3.866 1.00 0.00 N ATOM 0 H GLN A 32 10.026 -4.381 -3.345 1.00 0.00 H new ATOM 0 HA GLN A 32 8.100 -5.976 -4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.737 -5.564 -1.590 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.824 -6.914 -2.236 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.518 -6.427 -3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.484 -6.999 -1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.538 -8.434 -4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.567 -9.896 -4.225 1.00 0.00 H new ATOM 511 N LEU A 33 6.820 -3.702 -2.507 1.00 0.00 N ATOM 512 CA LEU A 33 5.586 -3.010 -2.152 1.00 0.00 C ATOM 513 C LEU A 33 5.027 -2.246 -3.348 1.00 0.00 C ATOM 514 O LEU A 33 3.820 -2.250 -3.592 1.00 0.00 O ATOM 515 CB LEU A 33 5.834 -2.049 -0.988 1.00 0.00 C ATOM 516 CG LEU A 33 6.342 -2.682 0.308 1.00 0.00 C ATOM 517 CD1 LEU A 33 6.790 -1.607 1.287 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.265 -3.557 0.932 1.00 0.00 C ATOM 0 H LEU A 33 7.653 -3.347 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 33 4.853 -3.758 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.556 -1.299 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.904 -1.524 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 33 7.201 -3.310 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.148 -2.076 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.594 -1.021 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.949 -0.953 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.644 -3.999 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.387 -2.950 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.991 -4.349 0.235 1.00 0.00 H new ATOM 530 N LEU A 34 5.912 -1.592 -4.092 1.00 0.00 N ATOM 531 CA LEU A 34 5.507 -0.825 -5.265 1.00 0.00 C ATOM 532 C LEU A 34 4.899 -1.733 -6.327 1.00 0.00 C ATOM 533 O LEU A 34 3.966 -1.345 -7.028 1.00 0.00 O ATOM 534 CB LEU A 34 6.708 -0.074 -5.846 1.00 0.00 C ATOM 535 CG LEU A 34 7.176 1.153 -5.062 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.557 1.587 -5.527 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.178 2.292 -5.209 1.00 0.00 C ATOM 0 H LEU A 34 6.914 -1.577 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 34 4.750 -0.105 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.543 -0.770 -5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.459 0.241 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 34 7.238 0.886 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.874 2.461 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.266 0.774 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.522 1.837 -6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.527 3.157 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.084 2.560 -6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.207 1.977 -4.826 1.00 0.00 H new ATOM 549 N GLN A 35 5.432 -2.946 -6.437 1.00 0.00 N ATOM 550 CA GLN A 35 4.940 -3.910 -7.413 1.00 0.00 C ATOM 551 C GLN A 35 3.464 -4.217 -7.179 1.00 0.00 C ATOM 552 O GLN A 35 2.808 -4.839 -8.015 1.00 0.00 O ATOM 553 CB GLN A 35 5.758 -5.202 -7.343 1.00 0.00 C ATOM 554 CG GLN A 35 7.116 -5.098 -8.017 1.00 0.00 C ATOM 555 CD GLN A 35 7.082 -4.251 -9.273 1.00 0.00 C ATOM 556 OE1 GLN A 35 7.778 -3.241 -9.375 1.00 0.00 O ATOM 557 NE2 GLN A 35 6.269 -4.660 -10.241 1.00 0.00 N ATOM 0 H GLN A 35 6.204 -3.284 -5.862 1.00 0.00 H new ATOM 0 HA GLN A 35 5.049 -3.472 -8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.900 -5.476 -6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.191 -6.007 -7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.833 -4.672 -7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.470 -6.098 -8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.709 -5.503 -10.115 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.204 -4.131 -11.110 1.00 0.00 H new ATOM 566 N LEU A 36 2.948 -3.775 -6.038 1.00 0.00 N ATOM 567 CA LEU A 36 1.548 -4.002 -5.693 1.00 0.00 C ATOM 568 C LEU A 36 0.650 -2.955 -6.345 1.00 0.00 C ATOM 569 O LEU A 36 -0.562 -3.143 -6.455 1.00 0.00 O ATOM 570 CB LEU A 36 1.365 -3.974 -4.175 1.00 0.00 C ATOM 571 CG LEU A 36 2.102 -5.059 -3.389 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.016 -4.788 -1.895 1.00 0.00 C ATOM 573 CD2 LEU A 36 1.535 -6.432 -3.718 1.00 0.00 C ATOM 0 H LEU A 36 3.477 -3.258 -5.336 1.00 0.00 H new ATOM 0 HA LEU A 36 1.261 -4.984 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.693 -3.002 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.300 -4.055 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 36 3.152 -5.042 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.546 -5.571 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.470 -3.822 -1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.971 -4.777 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.071 -7.193 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.477 -6.461 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.650 -6.627 -4.784 1.00 0.00 H new ATOM 585 N VAL A 37 1.254 -1.852 -6.777 1.00 0.00 N ATOM 586 CA VAL A 37 0.509 -0.777 -7.422 1.00 0.00 C ATOM 587 C VAL A 37 1.101 -0.441 -8.787 1.00 0.00 C ATOM 588 O VAL A 37 0.469 0.234 -9.598 1.00 0.00 O ATOM 589 CB VAL A 37 0.496 0.494 -6.553 1.00 0.00 C ATOM 590 CG1 VAL A 37 -0.066 0.192 -5.173 1.00 0.00 C ATOM 591 CG2 VAL A 37 1.894 1.084 -6.452 1.00 0.00 C ATOM 0 H VAL A 37 2.256 -1.680 -6.692 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.514 -1.131 -7.550 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.151 1.231 -7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.067 1.102 -4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.086 -0.181 -5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.552 -0.563 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.866 1.982 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.565 0.354 -6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.254 1.340 -7.449 1.00 0.00 H new ATOM 601 N GLU A 38 2.318 -0.918 -9.032 1.00 0.00 N ATOM 602 CA GLU A 38 2.993 -0.666 -10.299 1.00 0.00 C ATOM 603 C GLU A 38 2.151 -1.157 -11.473 1.00 0.00 C ATOM 604 O GLU A 38 1.787 -0.396 -12.370 1.00 0.00 O ATOM 605 CB GLU A 38 4.361 -1.353 -10.317 1.00 0.00 C ATOM 606 CG GLU A 38 5.517 -0.400 -10.572 1.00 0.00 C ATOM 607 CD GLU A 38 6.132 -0.583 -11.946 1.00 0.00 C ATOM 608 OE1 GLU A 38 6.836 -1.594 -12.151 1.00 0.00 O ATOM 609 OE2 GLU A 38 5.910 0.284 -12.816 1.00 0.00 O ATOM 0 H GLU A 38 2.855 -1.480 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 38 3.131 0.410 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.519 -1.855 -9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.361 -2.125 -11.087 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.166 0.627 -10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.283 -0.553 -9.812 1.00 0.00 H new ATOM 616 N PRO A 39 1.831 -2.460 -11.467 1.00 0.00 N ATOM 617 CA PRO A 39 1.027 -3.083 -12.523 1.00 0.00 C ATOM 618 C PRO A 39 -0.427 -2.625 -12.491 1.00 0.00 C ATOM 619 O PRO A 39 -1.249 -3.078 -13.287 1.00 0.00 O ATOM 620 CB PRO A 39 1.125 -4.577 -12.209 1.00 0.00 C ATOM 621 CG PRO A 39 1.401 -4.640 -10.747 1.00 0.00 C ATOM 622 CD PRO A 39 2.230 -3.426 -10.430 1.00 0.00 C ATOM 0 HA PRO A 39 1.386 -2.819 -13.518 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.200 -5.096 -12.460 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.921 -5.051 -12.783 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.474 -4.640 -10.174 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.934 -5.555 -10.490 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.023 -3.049 -9.429 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.297 -3.645 -10.474 1.00 0.00 H new ATOM 630 N PHE A 40 -0.738 -1.724 -11.565 1.00 0.00 N ATOM 631 CA PHE A 40 -2.094 -1.206 -11.428 1.00 0.00 C ATOM 632 C PHE A 40 -2.177 0.238 -11.917 1.00 0.00 C ATOM 633 O PHE A 40 -3.242 0.712 -12.309 1.00 0.00 O ATOM 634 CB PHE A 40 -2.551 -1.289 -9.970 1.00 0.00 C ATOM 635 CG PHE A 40 -2.709 -2.697 -9.471 1.00 0.00 C ATOM 636 CD1 PHE A 40 -3.918 -3.360 -9.602 1.00 0.00 C ATOM 637 CD2 PHE A 40 -1.649 -3.356 -8.872 1.00 0.00 C ATOM 638 CE1 PHE A 40 -4.067 -4.656 -9.143 1.00 0.00 C ATOM 639 CE2 PHE A 40 -1.791 -4.651 -8.410 1.00 0.00 C ATOM 640 CZ PHE A 40 -3.001 -5.302 -8.547 1.00 0.00 C ATOM 0 H PHE A 40 -0.069 -1.338 -10.899 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.753 -1.819 -12.043 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.829 -0.768 -9.341 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.502 -0.766 -9.865 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.754 -2.859 -10.068 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.700 -2.852 -8.764 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.015 -5.162 -9.250 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.957 -5.153 -7.943 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.114 -6.315 -8.189 1.00 0.00 H new ATOM 650 N GLY A 41 -1.043 0.932 -11.889 1.00 0.00 N ATOM 651 CA GLY A 41 -1.007 2.313 -12.331 1.00 0.00 C ATOM 652 C GLY A 41 0.400 2.876 -12.362 1.00 0.00 C ATOM 653 O GLY A 41 1.360 2.151 -12.621 1.00 0.00 O ATOM 0 H GLY A 41 -0.149 0.562 -11.568 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.445 2.384 -13.326 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.623 2.920 -11.667 1.00 0.00 H new ATOM 657 N VAL A 42 0.522 4.173 -12.097 1.00 0.00 N ATOM 658 CA VAL A 42 1.823 4.833 -12.096 1.00 0.00 C ATOM 659 C VAL A 42 2.237 5.229 -10.684 1.00 0.00 C ATOM 660 O VAL A 42 1.392 5.526 -9.839 1.00 0.00 O ATOM 661 CB VAL A 42 1.814 6.089 -12.987 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.450 6.759 -12.955 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.904 7.058 -12.552 1.00 0.00 C ATOM 0 H VAL A 42 -0.263 4.787 -11.880 1.00 0.00 H new ATOM 0 HA VAL A 42 2.542 4.117 -12.495 1.00 0.00 H new ATOM 0 HB VAL A 42 2.017 5.785 -14.014 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.464 7.644 -13.591 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.306 6.063 -13.319 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.212 7.051 -11.932 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.883 7.940 -13.192 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.734 7.356 -11.518 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.876 6.573 -12.634 1.00 0.00 H new ATOM 673 N ILE A 43 3.541 5.230 -10.434 1.00 0.00 N ATOM 674 CA ILE A 43 4.068 5.591 -9.123 1.00 0.00 C ATOM 675 C ILE A 43 4.341 7.089 -9.033 1.00 0.00 C ATOM 676 O ILE A 43 5.197 7.618 -9.741 1.00 0.00 O ATOM 677 CB ILE A 43 5.367 4.825 -8.808 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.170 3.327 -9.044 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.802 5.088 -7.374 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.096 2.712 -8.173 1.00 0.00 C ATOM 0 H ILE A 43 4.253 4.985 -11.122 1.00 0.00 H new ATOM 0 HA ILE A 43 3.307 5.318 -8.392 1.00 0.00 H new ATOM 0 HB ILE A 43 6.152 5.179 -9.476 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.915 3.163 -10.091 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.113 2.812 -8.861 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.721 4.540 -7.166 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.977 6.155 -7.237 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.020 4.757 -6.690 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.012 1.648 -8.395 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.359 2.844 -7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.142 3.200 -8.372 1.00 0.00 H new ATOM 692 N SER A 44 3.606 7.767 -8.156 1.00 0.00 N ATOM 693 CA SER A 44 3.768 9.204 -7.975 1.00 0.00 C ATOM 694 C SER A 44 4.781 9.503 -6.874 1.00 0.00 C ATOM 695 O SER A 44 5.643 10.366 -7.027 1.00 0.00 O ATOM 696 CB SER A 44 2.423 9.850 -7.635 1.00 0.00 C ATOM 697 OG SER A 44 1.915 10.582 -8.738 1.00 0.00 O ATOM 0 H SER A 44 2.894 7.344 -7.561 1.00 0.00 H new ATOM 0 HA SER A 44 4.140 9.624 -8.910 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.709 9.079 -7.346 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.541 10.513 -6.778 1.00 0.00 H new ATOM 0 HG SER A 44 1.249 11.228 -8.423 1.00 0.00 H new ATOM 703 N ASN A 45 4.668 8.781 -5.763 1.00 0.00 N ATOM 704 CA ASN A 45 5.572 8.968 -4.635 1.00 0.00 C ATOM 705 C ASN A 45 5.254 7.984 -3.513 1.00 0.00 C ATOM 706 O ASN A 45 4.110 7.881 -3.069 1.00 0.00 O ATOM 707 CB ASN A 45 5.479 10.402 -4.112 1.00 0.00 C ATOM 708 CG ASN A 45 6.766 11.178 -4.317 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.744 10.981 -3.596 1.00 0.00 O ATOM 710 ND2 ASN A 45 6.771 12.065 -5.304 1.00 0.00 N ATOM 0 H ASN A 45 3.959 8.061 -5.621 1.00 0.00 H new ATOM 0 HA ASN A 45 6.588 8.780 -4.982 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.663 10.918 -4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.235 10.383 -3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.609 12.616 -5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.937 12.195 -5.877 1.00 0.00 H new ATOM 717 N HIS A 46 6.274 7.262 -3.060 1.00 0.00 N ATOM 718 CA HIS A 46 6.103 6.286 -1.989 1.00 0.00 C ATOM 719 C HIS A 46 6.843 6.727 -0.729 1.00 0.00 C ATOM 720 O HIS A 46 7.730 7.580 -0.784 1.00 0.00 O ATOM 721 CB HIS A 46 6.608 4.913 -2.436 1.00 0.00 C ATOM 722 CG HIS A 46 7.976 4.947 -3.046 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.214 5.372 -4.336 1.00 0.00 N ATOM 724 CD2 HIS A 46 9.182 4.608 -2.534 1.00 0.00 C ATOM 725 CE1 HIS A 46 9.508 5.291 -4.592 1.00 0.00 C ATOM 726 NE2 HIS A 46 10.118 4.830 -3.514 1.00 0.00 N ATOM 0 H HIS A 46 7.227 7.334 -3.417 1.00 0.00 H new ATOM 0 HA HIS A 46 5.040 6.217 -1.760 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.619 4.242 -1.577 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.907 4.495 -3.159 1.00 0.00 H new ATOM 0 HD1 HIS A 46 7.503 5.698 -4.990 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.373 4.233 -1.539 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.986 5.556 -5.524 1.00 0.00 H new ATOM 734 N LEU A 47 6.470 6.142 0.404 1.00 0.00 N ATOM 735 CA LEU A 47 7.098 6.475 1.679 1.00 0.00 C ATOM 736 C LEU A 47 7.245 5.235 2.554 1.00 0.00 C ATOM 737 O LEU A 47 6.261 4.565 2.869 1.00 0.00 O ATOM 738 CB LEU A 47 6.274 7.536 2.412 1.00 0.00 C ATOM 739 CG LEU A 47 6.727 7.871 3.834 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.011 9.113 4.342 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.480 6.692 4.764 1.00 0.00 C ATOM 0 H LEU A 47 5.737 5.436 0.466 1.00 0.00 H new ATOM 0 HA LEU A 47 8.092 6.872 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.290 8.452 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.238 7.200 2.451 1.00 0.00 H new ATOM 0 HG LEU A 47 7.798 8.075 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.345 9.337 5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.239 9.956 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.935 8.937 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.808 6.948 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.416 6.456 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.039 5.826 4.410 1.00 0.00 H new ATOM 753 N ILE A 48 8.479 4.935 2.943 1.00 0.00 N ATOM 754 CA ILE A 48 8.754 3.778 3.785 1.00 0.00 C ATOM 755 C ILE A 48 9.530 4.179 5.036 1.00 0.00 C ATOM 756 O ILE A 48 10.723 4.479 4.970 1.00 0.00 O ATOM 757 CB ILE A 48 9.553 2.704 3.022 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.195 2.733 1.535 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.286 1.327 3.611 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.818 1.605 0.742 1.00 0.00 C ATOM 0 H ILE A 48 9.305 5.477 2.688 1.00 0.00 H new ATOM 0 HA ILE A 48 7.789 3.364 4.076 1.00 0.00 H new ATOM 0 HB ILE A 48 10.616 2.921 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.111 2.685 1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.515 3.685 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.857 0.579 3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.586 1.315 4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.223 1.099 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.521 1.688 -0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.904 1.664 0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.478 0.649 1.140 1.00 0.00 H new ATOM 772 N LEU A 49 8.845 4.180 6.174 1.00 0.00 N ATOM 773 CA LEU A 49 9.469 4.543 7.441 1.00 0.00 C ATOM 774 C LEU A 49 10.521 3.513 7.846 1.00 0.00 C ATOM 775 O LEU A 49 10.320 2.310 7.681 1.00 0.00 O ATOM 776 CB LEU A 49 8.410 4.664 8.538 1.00 0.00 C ATOM 777 CG LEU A 49 7.197 5.534 8.207 1.00 0.00 C ATOM 778 CD1 LEU A 49 6.045 5.226 9.151 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.566 7.009 8.275 1.00 0.00 C ATOM 0 H LEU A 49 7.858 3.934 6.245 1.00 0.00 H new ATOM 0 HA LEU A 49 9.961 5.507 7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.057 3.663 8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.886 5.065 9.432 1.00 0.00 H new ATOM 0 HG LEU A 49 6.876 5.306 7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.191 5.855 8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.765 4.177 9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.353 5.425 10.178 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.691 7.614 8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.912 7.251 9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.359 7.219 7.557 1.00 0.00 H new ATOM 791 N ASN A 50 11.640 3.995 8.376 1.00 0.00 N ATOM 792 CA ASN A 50 12.722 3.116 8.804 1.00 0.00 C ATOM 793 C ASN A 50 12.635 2.837 10.302 1.00 0.00 C ATOM 794 O ASN A 50 13.653 2.678 10.975 1.00 0.00 O ATOM 795 CB ASN A 50 14.078 3.741 8.469 1.00 0.00 C ATOM 796 CG ASN A 50 14.841 2.943 7.429 1.00 0.00 C ATOM 797 OD1 ASN A 50 15.874 2.344 7.726 1.00 0.00 O ATOM 798 ND2 ASN A 50 14.333 2.933 6.202 1.00 0.00 N ATOM 0 H ASN A 50 11.821 4.988 8.519 1.00 0.00 H new ATOM 0 HA ASN A 50 12.623 2.171 8.269 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.927 4.757 8.104 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.676 3.814 9.378 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.802 2.414 5.460 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.474 3.445 6.002 1.00 0.00 H new ATOM 805 N LYS A 51 11.411 2.777 10.816 1.00 0.00 N ATOM 806 CA LYS A 51 11.189 2.514 12.233 1.00 0.00 C ATOM 807 C LYS A 51 10.372 1.241 12.429 1.00 0.00 C ATOM 808 O LYS A 51 10.678 0.423 13.297 1.00 0.00 O ATOM 809 CB LYS A 51 10.472 3.698 12.886 1.00 0.00 C ATOM 810 CG LYS A 51 11.245 5.003 12.793 1.00 0.00 C ATOM 811 CD LYS A 51 11.151 5.799 14.084 1.00 0.00 C ATOM 812 CE LYS A 51 12.474 6.472 14.419 1.00 0.00 C ATOM 813 NZ LYS A 51 12.846 7.500 13.409 1.00 0.00 N ATOM 0 H LYS A 51 10.558 2.907 10.272 1.00 0.00 H new ATOM 0 HA LYS A 51 12.161 2.378 12.708 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.498 3.828 12.414 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.289 3.468 13.936 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.291 4.792 12.569 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.856 5.599 11.967 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.370 6.554 13.992 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.860 5.138 14.900 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.406 6.937 15.402 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.260 5.719 14.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.744 7.946 13.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.953 7.049 12.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.101 8.224 13.360 1.00 0.00 H new ATOM 827 N ILE A 52 9.332 1.080 11.618 1.00 0.00 N ATOM 828 CA ILE A 52 8.473 -0.095 11.700 1.00 0.00 C ATOM 829 C ILE A 52 8.167 -0.650 10.314 1.00 0.00 C ATOM 830 O ILE A 52 8.797 -0.270 9.329 1.00 0.00 O ATOM 831 CB ILE A 52 7.149 0.225 12.417 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.214 1.000 11.487 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.413 1.017 13.689 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.747 2.359 11.089 1.00 0.00 C ATOM 0 H ILE A 52 9.064 1.749 10.896 1.00 0.00 H new ATOM 0 HA ILE A 52 9.017 -0.844 12.276 1.00 0.00 H new ATOM 0 HB ILE A 52 6.665 -0.713 12.689 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.039 0.410 10.587 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.249 1.127 11.978 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.467 1.236 14.184 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.046 0.433 14.357 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.915 1.951 13.438 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.032 2.851 10.430 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.896 2.967 11.981 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.697 2.239 10.569 1.00 0.00 H new ATOM 846 N ASN A 53 7.193 -1.553 10.247 1.00 0.00 N ATOM 847 CA ASN A 53 6.801 -2.161 8.980 1.00 0.00 C ATOM 848 C ASN A 53 5.597 -1.441 8.381 1.00 0.00 C ATOM 849 O ASN A 53 4.637 -2.075 7.946 1.00 0.00 O ATOM 850 CB ASN A 53 6.475 -3.643 9.182 1.00 0.00 C ATOM 851 CG ASN A 53 7.632 -4.412 9.790 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.749 -3.904 9.883 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.368 -5.644 10.209 1.00 0.00 N ATOM 0 H ASN A 53 6.662 -1.879 11.054 1.00 0.00 H new ATOM 0 HA ASN A 53 7.638 -2.070 8.287 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.602 -3.735 9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.211 -4.088 8.223 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.106 -6.209 10.628 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.427 -6.025 10.112 1.00 0.00 H new ATOM 860 N GLU A 54 5.659 -0.113 8.361 1.00 0.00 N ATOM 861 CA GLU A 54 4.573 0.693 7.815 1.00 0.00 C ATOM 862 C GLU A 54 5.038 1.469 6.586 1.00 0.00 C ATOM 863 O GLU A 54 6.049 2.168 6.625 1.00 0.00 O ATOM 864 CB GLU A 54 4.045 1.662 8.875 1.00 0.00 C ATOM 865 CG GLU A 54 3.114 1.013 9.884 1.00 0.00 C ATOM 866 CD GLU A 54 1.950 1.906 10.264 1.00 0.00 C ATOM 867 OE1 GLU A 54 2.078 3.141 10.121 1.00 0.00 O ATOM 868 OE2 GLU A 54 0.910 1.373 10.703 1.00 0.00 O ATOM 0 H GLU A 54 6.448 0.427 8.716 1.00 0.00 H new ATOM 0 HA GLU A 54 3.769 0.020 7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.890 2.103 9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.518 2.477 8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.731 0.080 9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.678 0.757 10.781 1.00 0.00 H new ATOM 875 N ALA A 55 4.290 1.340 5.495 1.00 0.00 N ATOM 876 CA ALA A 55 4.623 2.029 4.255 1.00 0.00 C ATOM 877 C ALA A 55 3.368 2.543 3.558 1.00 0.00 C ATOM 878 O ALA A 55 2.283 1.981 3.715 1.00 0.00 O ATOM 879 CB ALA A 55 5.401 1.104 3.330 1.00 0.00 C ATOM 0 H ALA A 55 3.449 0.765 5.445 1.00 0.00 H new ATOM 0 HA ALA A 55 5.247 2.888 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.643 1.632 2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.322 0.789 3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.796 0.228 3.099 1.00 0.00 H new ATOM 885 N PHE A 56 3.521 3.614 2.787 1.00 0.00 N ATOM 886 CA PHE A 56 2.399 4.205 2.067 1.00 0.00 C ATOM 887 C PHE A 56 2.830 4.680 0.683 1.00 0.00 C ATOM 888 O PHE A 56 3.805 5.420 0.544 1.00 0.00 O ATOM 889 CB PHE A 56 1.815 5.376 2.862 1.00 0.00 C ATOM 890 CG PHE A 56 1.735 5.117 4.339 1.00 0.00 C ATOM 891 CD1 PHE A 56 2.833 5.338 5.155 1.00 0.00 C ATOM 892 CD2 PHE A 56 0.561 4.654 4.912 1.00 0.00 C ATOM 893 CE1 PHE A 56 2.762 5.099 6.515 1.00 0.00 C ATOM 894 CE2 PHE A 56 0.485 4.414 6.271 1.00 0.00 C ATOM 895 CZ PHE A 56 1.586 4.638 7.073 1.00 0.00 C ATOM 0 H PHE A 56 4.411 4.091 2.645 1.00 0.00 H new ATOM 0 HA PHE A 56 1.633 3.439 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.425 6.262 2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.816 5.598 2.486 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.754 5.701 4.724 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.304 4.479 4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.625 5.273 7.140 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.435 4.051 6.705 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.528 4.453 8.135 1.00 0.00 H new ATOM 905 N ILE A 57 2.097 4.249 -0.338 1.00 0.00 N ATOM 906 CA ILE A 57 2.403 4.630 -1.712 1.00 0.00 C ATOM 907 C ILE A 57 1.336 5.564 -2.274 1.00 0.00 C ATOM 908 O ILE A 57 0.141 5.349 -2.073 1.00 0.00 O ATOM 909 CB ILE A 57 2.521 3.396 -2.626 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.701 2.524 -2.190 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.678 3.824 -4.077 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.550 1.068 -2.573 1.00 0.00 C ATOM 0 H ILE A 57 1.288 3.636 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 57 3.362 5.148 -1.689 1.00 0.00 H new ATOM 0 HB ILE A 57 1.607 2.808 -2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.616 2.915 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.816 2.597 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.760 2.941 -4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.809 4.408 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.578 4.431 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.422 0.510 -2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.653 0.660 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.465 0.984 -3.656 1.00 0.00 H new ATOM 924 N GLU A 58 1.777 6.600 -2.980 1.00 0.00 N ATOM 925 CA GLU A 58 0.860 7.566 -3.572 1.00 0.00 C ATOM 926 C GLU A 58 0.794 7.396 -5.087 1.00 0.00 C ATOM 927 O GLU A 58 1.801 7.531 -5.782 1.00 0.00 O ATOM 928 CB GLU A 58 1.292 8.992 -3.225 1.00 0.00 C ATOM 929 CG GLU A 58 0.307 10.055 -3.684 1.00 0.00 C ATOM 930 CD GLU A 58 0.612 11.422 -3.104 1.00 0.00 C ATOM 931 OE1 GLU A 58 1.375 11.492 -2.117 1.00 0.00 O ATOM 932 OE2 GLU A 58 0.089 12.423 -3.638 1.00 0.00 O ATOM 0 H GLU A 58 2.763 6.792 -3.156 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.133 7.385 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.422 9.071 -2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.264 9.189 -3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.323 10.114 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.702 9.759 -3.396 1.00 0.00 H new ATOM 939 N MET A 59 -0.399 7.100 -5.593 1.00 0.00 N ATOM 940 CA MET A 59 -0.596 6.913 -7.025 1.00 0.00 C ATOM 941 C MET A 59 -0.954 8.232 -7.703 1.00 0.00 C ATOM 942 O MET A 59 -1.430 9.164 -7.055 1.00 0.00 O ATOM 943 CB MET A 59 -1.697 5.882 -7.280 1.00 0.00 C ATOM 944 CG MET A 59 -1.358 4.491 -6.767 1.00 0.00 C ATOM 945 SD MET A 59 0.099 3.793 -7.567 1.00 0.00 S ATOM 946 CE MET A 59 -0.636 3.050 -9.021 1.00 0.00 C ATOM 0 H MET A 59 -1.243 6.985 -5.032 1.00 0.00 H new ATOM 0 HA MET A 59 0.340 6.549 -7.449 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.618 6.221 -6.805 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.892 5.828 -8.351 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.191 4.535 -5.691 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.209 3.830 -6.930 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.130 2.516 -9.583 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.417 2.352 -8.718 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.069 3.829 -9.648 1.00 0.00 H new ATOM 956 N ALA A 60 -0.720 8.304 -9.009 1.00 0.00 N ATOM 957 CA ALA A 60 -1.020 9.509 -9.773 1.00 0.00 C ATOM 958 C ALA A 60 -2.525 9.720 -9.899 1.00 0.00 C ATOM 959 O ALA A 60 -2.991 10.843 -10.098 1.00 0.00 O ATOM 960 CB ALA A 60 -0.378 9.433 -11.151 1.00 0.00 C ATOM 0 H ALA A 60 -0.324 7.543 -9.560 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.605 10.362 -9.237 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.610 10.339 -11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.703 9.339 -11.044 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.766 8.566 -11.686 1.00 0.00 H new ATOM 966 N THR A 61 -3.282 8.633 -9.782 1.00 0.00 N ATOM 967 CA THR A 61 -4.734 8.699 -9.884 1.00 0.00 C ATOM 968 C THR A 61 -5.397 7.691 -8.953 1.00 0.00 C ATOM 969 O THR A 61 -5.044 6.511 -8.944 1.00 0.00 O ATOM 970 CB THR A 61 -5.208 8.438 -11.326 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.713 7.175 -11.783 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.734 9.542 -12.261 1.00 0.00 C ATOM 0 H THR A 61 -2.913 7.697 -9.617 1.00 0.00 H new ATOM 0 HA THR A 61 -5.026 9.707 -9.590 1.00 0.00 H new ATOM 0 HB THR A 61 -6.298 8.424 -11.329 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.049 6.834 -11.147 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.081 9.335 -13.273 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.136 10.499 -11.928 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.645 9.583 -12.252 1.00 0.00 H new ATOM 980 N THR A 62 -6.362 8.162 -8.169 1.00 0.00 N ATOM 981 CA THR A 62 -7.075 7.301 -7.233 1.00 0.00 C ATOM 982 C THR A 62 -7.608 6.055 -7.930 1.00 0.00 C ATOM 983 O THR A 62 -7.932 5.061 -7.280 1.00 0.00 O ATOM 984 CB THR A 62 -8.248 8.045 -6.568 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.027 7.132 -5.787 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.131 8.708 -7.613 1.00 0.00 C ATOM 0 H THR A 62 -6.668 9.135 -8.164 1.00 0.00 H new ATOM 0 HA THR A 62 -6.359 7.007 -6.465 1.00 0.00 H new ATOM 0 HB THR A 62 -7.837 8.819 -5.919 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.162 7.502 -4.890 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.952 9.227 -7.119 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.542 9.424 -8.186 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.533 7.949 -8.284 1.00 0.00 H new ATOM 994 N GLU A 63 -7.696 6.114 -9.255 1.00 0.00 N ATOM 995 CA GLU A 63 -8.191 4.988 -10.038 1.00 0.00 C ATOM 996 C GLU A 63 -7.275 3.777 -9.889 1.00 0.00 C ATOM 997 O GLU A 63 -7.720 2.633 -9.979 1.00 0.00 O ATOM 998 CB GLU A 63 -8.304 5.376 -11.514 1.00 0.00 C ATOM 999 CG GLU A 63 -9.633 6.019 -11.874 1.00 0.00 C ATOM 1000 CD GLU A 63 -10.651 5.014 -12.375 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -10.321 4.250 -13.307 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -11.777 4.991 -11.837 1.00 0.00 O ATOM 0 H GLU A 63 -7.431 6.929 -9.808 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.179 4.723 -9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.497 6.065 -11.763 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.163 4.486 -12.127 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.034 6.531 -10.999 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.470 6.777 -12.640 1.00 0.00 H new ATOM 1009 N ASP A 64 -5.992 4.037 -9.659 1.00 0.00 N ATOM 1010 CA ASP A 64 -5.013 2.969 -9.496 1.00 0.00 C ATOM 1011 C ASP A 64 -5.023 2.436 -8.066 1.00 0.00 C ATOM 1012 O ASP A 64 -5.303 1.260 -7.834 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.613 3.471 -9.855 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.621 4.391 -11.061 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.225 4.017 -12.088 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -3.022 5.483 -10.979 1.00 0.00 O ATOM 0 H ASP A 64 -5.606 4.978 -9.581 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.284 2.157 -10.170 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.189 3.999 -9.001 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.965 2.618 -10.056 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.716 3.308 -7.112 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.691 2.925 -5.706 1.00 0.00 C ATOM 1023 C ALA A 65 -5.949 2.152 -5.325 1.00 0.00 C ATOM 1024 O ALA A 65 -5.871 1.087 -4.713 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.540 4.157 -4.827 1.00 0.00 C ATOM 0 H ALA A 65 -4.481 4.285 -7.287 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.833 2.271 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.523 3.857 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.609 4.668 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.380 4.831 -4.997 1.00 0.00 H new ATOM 1031 N GLN A 66 -7.105 2.695 -5.689 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.380 2.055 -5.384 1.00 0.00 C ATOM 1033 C GLN A 66 -8.409 0.624 -5.909 1.00 0.00 C ATOM 1034 O GLN A 66 -8.906 -0.282 -5.240 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.534 2.857 -5.989 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.880 4.111 -5.204 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.296 4.588 -5.460 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.221 3.786 -5.581 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.473 5.902 -5.545 1.00 0.00 N ATOM 0 H GLN A 66 -7.186 3.577 -6.196 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.495 2.027 -4.300 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.275 3.137 -7.010 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.417 2.220 -6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.754 3.915 -4.139 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.180 4.904 -5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.678 6.532 -5.438 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.404 6.281 -5.717 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.874 0.428 -7.109 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.838 -0.895 -7.723 1.00 0.00 C ATOM 1050 C ALA A 67 -6.890 -1.822 -6.971 1.00 0.00 C ATOM 1051 O ALA A 67 -7.244 -2.955 -6.644 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.427 -0.788 -9.183 1.00 0.00 C ATOM 0 H ALA A 67 -7.459 1.168 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.840 -1.321 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.404 -1.783 -9.628 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.145 -0.167 -9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.437 -0.338 -9.250 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.683 -1.336 -6.701 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.685 -2.121 -5.987 1.00 0.00 C ATOM 1060 C ALA A 68 -5.274 -2.744 -4.727 1.00 0.00 C ATOM 1061 O ALA A 68 -4.914 -3.857 -4.346 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.482 -1.256 -5.638 1.00 0.00 C ATOM 0 H ALA A 68 -5.373 -0.401 -6.967 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.359 -2.929 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.745 -1.856 -5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.038 -0.864 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.801 -0.427 -5.006 1.00 0.00 H new ATOM 1068 N VAL A 69 -6.182 -2.019 -4.083 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.823 -2.500 -2.865 1.00 0.00 C ATOM 1070 C VAL A 69 -7.757 -3.667 -3.160 1.00 0.00 C ATOM 1071 O VAL A 69 -7.829 -4.628 -2.393 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.620 -1.381 -2.170 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.355 -1.924 -0.953 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.701 -0.235 -1.779 1.00 0.00 C ATOM 0 H VAL A 69 -6.491 -1.095 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.027 -2.835 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.361 -0.999 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.912 -1.118 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.045 -2.708 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.634 -2.335 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.282 0.546 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.935 -0.600 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.226 0.172 -2.672 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.472 -3.579 -4.277 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.402 -4.629 -4.675 1.00 0.00 C ATOM 1086 C ASP A 70 -8.660 -5.931 -4.964 1.00 0.00 C ATOM 1087 O ASP A 70 -9.270 -6.997 -5.051 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.195 -4.195 -5.909 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.641 -4.647 -5.855 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -11.932 -5.766 -6.327 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.483 -3.882 -5.339 1.00 0.00 O ATOM 0 H ASP A 70 -8.425 -2.791 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.093 -4.801 -3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.160 -3.109 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.723 -4.603 -6.803 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.344 -5.835 -5.112 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.520 -7.005 -5.393 1.00 0.00 C ATOM 1098 C TYR A 71 -6.094 -7.695 -4.102 1.00 0.00 C ATOM 1099 O TYR A 71 -5.587 -8.818 -4.123 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.285 -6.601 -6.200 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.310 -7.736 -6.424 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -4.606 -8.767 -7.307 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.094 -7.776 -5.752 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -3.719 -9.807 -7.514 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.202 -8.811 -5.954 1.00 0.00 C ATOM 1106 CZ TYR A 71 -2.518 -9.824 -6.836 1.00 0.00 C ATOM 1107 OH TYR A 71 -1.632 -10.856 -7.039 1.00 0.00 O ATOM 0 H TYR A 71 -6.825 -4.960 -5.042 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.116 -7.706 -5.978 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.604 -6.211 -7.167 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.773 -5.790 -5.683 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.545 -8.756 -7.841 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.843 -6.985 -5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.965 -10.602 -8.203 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.261 -8.827 -5.424 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.835 -10.716 -6.486 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.305 -7.018 -2.979 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.942 -7.565 -1.677 1.00 0.00 C ATOM 1119 C TYR A 72 -7.139 -8.245 -1.019 1.00 0.00 C ATOM 1120 O TYR A 72 -6.981 -9.137 -0.185 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.407 -6.458 -0.767 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.709 -6.680 0.698 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -4.866 -7.448 1.492 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.836 -6.122 1.288 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.137 -7.654 2.831 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -7.114 -6.321 2.627 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.262 -7.089 3.393 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.537 -7.291 4.726 1.00 0.00 O ATOM 0 H TYR A 72 -6.726 -6.089 -2.944 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.162 -8.311 -1.829 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.328 -6.380 -0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.836 -5.505 -1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.984 -7.892 1.055 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.506 -5.522 0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.472 -8.254 3.434 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.993 -5.878 3.071 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.365 -6.824 4.964 1.00 0.00 H new ATOM 1138 N THR A 73 -8.339 -7.817 -1.402 1.00 0.00 N ATOM 1139 CA THR A 73 -9.563 -8.383 -0.850 1.00 0.00 C ATOM 1140 C THR A 73 -9.985 -9.634 -1.615 1.00 0.00 C ATOM 1141 O THR A 73 -10.630 -10.525 -1.062 1.00 0.00 O ATOM 1142 CB THR A 73 -10.717 -7.364 -0.881 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.894 -7.938 -0.303 1.00 0.00 O ATOM 1144 CG2 THR A 73 -11.010 -6.922 -2.308 1.00 0.00 C ATOM 0 H THR A 73 -8.488 -7.081 -2.092 1.00 0.00 H new ATOM 0 HA THR A 73 -9.349 -8.648 0.185 1.00 0.00 H new ATOM 0 HB THR A 73 -10.417 -6.491 -0.301 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.622 -7.283 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.829 -6.202 -2.305 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.121 -6.458 -2.735 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.291 -7.788 -2.907 1.00 0.00 H new ATOM 1152 N THR A 74 -9.614 -9.694 -2.890 1.00 0.00 N ATOM 1153 CA THR A 74 -9.953 -10.835 -3.731 1.00 0.00 C ATOM 1154 C THR A 74 -8.767 -11.782 -3.879 1.00 0.00 C ATOM 1155 O THR A 74 -8.937 -12.997 -3.992 1.00 0.00 O ATOM 1156 CB THR A 74 -10.413 -10.385 -5.130 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.344 -9.713 -5.805 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.619 -9.461 -5.032 1.00 0.00 C ATOM 0 H THR A 74 -9.079 -8.966 -3.363 1.00 0.00 H new ATOM 0 HA THR A 74 -10.772 -11.358 -3.238 1.00 0.00 H new ATOM 0 HB THR A 74 -10.699 -11.271 -5.697 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.319 -8.774 -5.525 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.926 -9.156 -6.032 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.441 -9.986 -4.544 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.355 -8.579 -4.449 1.00 0.00 H new ATOM 1166 N THR A 75 -7.563 -11.219 -3.877 1.00 0.00 N ATOM 1167 CA THR A 75 -6.348 -12.012 -4.011 1.00 0.00 C ATOM 1168 C THR A 75 -5.366 -11.710 -2.885 1.00 0.00 C ATOM 1169 O THR A 75 -5.179 -10.560 -2.484 1.00 0.00 O ATOM 1170 CB THR A 75 -5.656 -11.755 -5.363 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.521 -12.139 -6.437 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.349 -12.529 -5.458 1.00 0.00 C ATOM 0 H THR A 75 -7.403 -10.216 -3.784 1.00 0.00 H new ATOM 0 HA THR A 75 -6.647 -13.059 -3.957 1.00 0.00 H new ATOM 0 HB THR A 75 -5.436 -10.690 -5.436 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.074 -11.971 -7.293 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.879 -12.332 -6.421 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.681 -12.214 -4.656 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.550 -13.596 -5.364 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.721 -12.763 -2.361 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.746 -12.634 -1.275 1.00 0.00 C ATOM 1182 C PRO A 76 -2.461 -11.949 -1.727 1.00 0.00 C ATOM 1183 O PRO A 76 -1.790 -12.413 -2.649 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.466 -14.085 -0.875 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.770 -14.879 -2.098 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.895 -14.161 -2.790 1.00 0.00 C ATOM 0 HA PRO A 76 -4.124 -12.018 -0.459 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.430 -14.217 -0.564 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.092 -14.393 -0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.896 -14.949 -2.745 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.058 -15.898 -1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.829 -14.260 -3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.867 -14.555 -2.492 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.123 -10.843 -1.072 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.917 -10.095 -1.406 1.00 0.00 C ATOM 1196 C ALA A 77 0.274 -10.582 -0.589 1.00 0.00 C ATOM 1197 O ALA A 77 0.569 -10.044 0.479 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.140 -8.607 -1.183 1.00 0.00 C ATOM 0 H ALA A 77 -2.668 -10.445 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.695 -10.263 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.231 -8.061 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.958 -8.263 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.390 -8.429 -0.137 1.00 0.00 H new ATOM 1204 N LEU A 78 0.955 -11.604 -1.094 1.00 0.00 N ATOM 1205 CA LEU A 78 2.115 -12.165 -0.411 1.00 0.00 C ATOM 1206 C LEU A 78 3.377 -11.374 -0.741 1.00 0.00 C ATOM 1207 O LEU A 78 3.890 -11.441 -1.858 1.00 0.00 O ATOM 1208 CB LEU A 78 2.302 -13.632 -0.801 1.00 0.00 C ATOM 1209 CG LEU A 78 1.182 -14.587 -0.383 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.545 -16.021 -0.733 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.898 -14.454 1.106 1.00 0.00 C ATOM 0 H LEU A 78 0.724 -12.062 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 78 1.939 -12.101 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.414 -13.688 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.236 -13.987 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 78 0.278 -14.320 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.737 -16.686 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.698 -16.105 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.461 -16.302 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.099 -15.140 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.798 -14.695 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.593 -13.431 1.328 1.00 0.00 H new ATOM 1223 N VAL A 79 3.874 -10.627 0.240 1.00 0.00 N ATOM 1224 CA VAL A 79 5.078 -9.826 0.056 1.00 0.00 C ATOM 1225 C VAL A 79 6.314 -10.568 0.553 1.00 0.00 C ATOM 1226 O VAL A 79 6.385 -10.967 1.716 1.00 0.00 O ATOM 1227 CB VAL A 79 4.972 -8.477 0.790 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.274 -7.700 0.671 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.807 -7.664 0.247 1.00 0.00 C ATOM 0 H VAL A 79 3.461 -10.560 1.170 1.00 0.00 H new ATOM 0 HA VAL A 79 5.175 -9.642 -1.014 1.00 0.00 H new ATOM 0 HB VAL A 79 4.788 -8.673 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.180 -6.749 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.085 -8.279 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.492 -7.514 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.748 -6.714 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.958 -7.477 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.879 -8.218 0.390 1.00 0.00 H new ATOM 1239 N PHE A 80 7.286 -10.749 -0.335 1.00 0.00 N ATOM 1240 CA PHE A 80 8.520 -11.444 0.014 1.00 0.00 C ATOM 1241 C PHE A 80 8.250 -12.914 0.316 1.00 0.00 C ATOM 1242 O PHE A 80 9.151 -13.656 0.705 1.00 0.00 O ATOM 1243 CB PHE A 80 9.181 -10.777 1.222 1.00 0.00 C ATOM 1244 CG PHE A 80 10.309 -9.854 0.855 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.317 -10.275 0.004 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.358 -8.565 1.361 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.355 -9.429 -0.336 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.394 -7.714 1.024 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.393 -8.146 0.175 1.00 0.00 C ATOM 0 H PHE A 80 7.243 -10.424 -1.301 1.00 0.00 H new ATOM 0 HA PHE A 80 9.195 -11.385 -0.840 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.428 -10.215 1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.558 -11.549 1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.291 -11.277 -0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.579 -8.222 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.135 -9.770 -1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.422 -6.712 1.425 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.203 -7.482 -0.089 1.00 0.00 H new ATOM 1259 N GLY A 81 6.999 -13.330 0.135 1.00 0.00 N ATOM 1260 CA GLY A 81 6.631 -14.710 0.393 1.00 0.00 C ATOM 1261 C GLY A 81 5.597 -14.838 1.494 1.00 0.00 C ATOM 1262 O GLY A 81 4.918 -15.859 1.602 1.00 0.00 O ATOM 0 H GLY A 81 6.235 -12.736 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.240 -15.156 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.522 -15.275 0.668 1.00 0.00 H new ATOM 1266 N LYS A 82 5.478 -13.800 2.314 1.00 0.00 N ATOM 1267 CA LYS A 82 4.520 -13.799 3.413 1.00 0.00 C ATOM 1268 C LYS A 82 3.367 -12.842 3.129 1.00 0.00 C ATOM 1269 O LYS A 82 3.512 -11.850 2.415 1.00 0.00 O ATOM 1270 CB LYS A 82 5.212 -13.406 4.721 1.00 0.00 C ATOM 1271 CG LYS A 82 6.165 -12.232 4.576 1.00 0.00 C ATOM 1272 CD LYS A 82 7.589 -12.699 4.323 1.00 0.00 C ATOM 1273 CE LYS A 82 8.586 -11.562 4.493 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.993 -12.049 4.465 1.00 0.00 N ATOM 0 H LYS A 82 6.033 -12.948 2.238 1.00 0.00 H new ATOM 0 HA LYS A 82 4.117 -14.807 3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.453 -13.158 5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.763 -14.265 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.838 -11.596 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.135 -11.624 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.836 -13.507 5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.666 -13.105 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.440 -10.829 3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.397 -11.052 5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.639 -11.239 4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.199 -12.565 5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.124 -12.684 3.652 1.00 0.00 H new ATOM 1288 N PRO A 83 2.192 -13.143 3.703 1.00 0.00 N ATOM 1289 CA PRO A 83 0.991 -12.320 3.527 1.00 0.00 C ATOM 1290 C PRO A 83 1.103 -10.973 4.234 1.00 0.00 C ATOM 1291 O PRO A 83 1.802 -10.845 5.239 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.115 -13.167 4.161 1.00 0.00 C ATOM 1293 CG PRO A 83 0.588 -14.029 5.152 1.00 0.00 C ATOM 1294 CD PRO A 83 1.944 -14.310 4.567 1.00 0.00 C ATOM 0 HA PRO A 83 0.813 -12.077 2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.866 -12.541 4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.633 -13.766 3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.675 -13.526 6.115 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.038 -14.954 5.324 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.704 -14.405 5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.951 -15.240 3.998 1.00 0.00 H new ATOM 1302 N VAL A 84 0.409 -9.972 3.703 1.00 0.00 N ATOM 1303 CA VAL A 84 0.429 -8.635 4.283 1.00 0.00 C ATOM 1304 C VAL A 84 -0.953 -7.992 4.230 1.00 0.00 C ATOM 1305 O VAL A 84 -1.936 -8.640 3.871 1.00 0.00 O ATOM 1306 CB VAL A 84 1.436 -7.722 3.559 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.822 -8.350 3.561 1.00 0.00 C ATOM 1308 CG2 VAL A 84 0.971 -7.439 2.138 1.00 0.00 C ATOM 0 H VAL A 84 -0.175 -10.062 2.871 1.00 0.00 H new ATOM 0 HA VAL A 84 0.735 -8.747 5.323 1.00 0.00 H new ATOM 0 HB VAL A 84 1.492 -6.774 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.521 -7.691 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.153 -8.497 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.786 -9.312 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.694 -6.792 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.885 -8.377 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.000 -6.944 2.165 1.00 0.00 H new ATOM 1318 N ARG A 85 -1.019 -6.714 4.589 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.280 -5.983 4.582 1.00 0.00 C ATOM 1320 C ARG A 85 -2.221 -4.805 3.615 1.00 0.00 C ATOM 1321 O ARG A 85 -1.167 -4.197 3.423 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.612 -5.483 5.990 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.127 -6.572 6.917 1.00 0.00 C ATOM 1324 CD ARG A 85 -3.521 -6.008 8.274 1.00 0.00 C ATOM 1325 NE ARG A 85 -2.629 -6.463 9.335 1.00 0.00 N ATOM 1326 CZ ARG A 85 -2.629 -7.703 9.815 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -3.469 -8.605 9.328 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -1.787 -8.041 10.783 1.00 0.00 N ATOM 0 H ARG A 85 -0.214 -6.164 4.888 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.063 -6.664 4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.719 -5.037 6.428 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.361 -4.694 5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.988 -7.062 6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.358 -7.334 7.048 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.508 -4.919 8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.543 -6.306 8.507 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.969 -5.793 9.730 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.117 -8.349 8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.467 -9.556 9.698 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.139 -7.349 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.788 -8.992 11.151 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.359 -4.488 3.004 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.437 -3.384 2.057 1.00 0.00 C ATOM 1344 C VAL A 86 -4.723 -2.587 2.245 1.00 0.00 C ATOM 1345 O VAL A 86 -5.822 -3.139 2.187 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.366 -3.887 0.602 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.547 -2.732 -0.371 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -2.049 -4.605 0.351 1.00 0.00 C ATOM 0 H VAL A 86 -4.240 -4.982 3.149 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.581 -2.738 2.253 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.177 -4.597 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.494 -3.106 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.518 -2.265 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.759 -1.996 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.016 -4.954 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.221 -3.919 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.965 -5.458 1.025 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.579 -1.286 2.470 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.730 -0.412 2.666 1.00 0.00 C ATOM 1360 C HIS A 87 -5.602 0.852 1.822 1.00 0.00 C ATOM 1361 O HIS A 87 -4.551 1.118 1.238 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.869 -0.040 4.143 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.026 -1.224 5.046 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.540 -1.256 6.336 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -6.620 -2.423 4.840 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -5.826 -2.424 6.884 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -6.483 -3.150 5.997 1.00 0.00 N ATOM 0 H HIS A 87 -3.677 -0.813 2.521 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.623 -0.951 2.349 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.991 0.527 4.451 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.731 0.616 4.264 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.110 -2.747 3.934 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.567 -2.732 7.886 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.832 -4.097 6.147 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.680 1.627 1.760 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.689 2.865 0.986 1.00 0.00 C ATOM 1377 C LEU A 88 -6.878 4.074 1.895 1.00 0.00 C ATOM 1378 O LEU A 88 -7.978 4.616 2.003 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.799 2.823 -0.066 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.470 3.461 -1.415 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.349 4.970 -1.277 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.188 2.872 -1.985 1.00 0.00 C ATOM 0 H LEU A 88 -7.558 1.421 2.236 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.726 2.959 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.071 1.781 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.679 3.320 0.343 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.285 3.244 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.114 5.407 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.292 5.379 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.554 5.208 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.969 3.338 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.364 3.058 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.311 1.798 -2.122 1.00 0.00 H new ATOM 1394 N SER A 89 -5.798 4.496 2.544 1.00 0.00 N ATOM 1395 CA SER A 89 -5.846 5.641 3.445 1.00 0.00 C ATOM 1396 C SER A 89 -5.989 6.943 2.662 1.00 0.00 C ATOM 1397 O SER A 89 -6.236 6.929 1.456 1.00 0.00 O ATOM 1398 CB SER A 89 -4.584 5.689 4.310 1.00 0.00 C ATOM 1399 OG SER A 89 -4.822 6.385 5.520 1.00 0.00 O ATOM 0 H SER A 89 -4.879 4.062 2.463 1.00 0.00 H new ATOM 0 HA SER A 89 -6.717 5.528 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.251 4.675 4.530 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.780 6.176 3.759 1.00 0.00 H new ATOM 0 HG SER A 89 -4.001 6.400 6.055 1.00 0.00 H new ATOM 1405 N GLN A 90 -5.833 8.064 3.357 1.00 0.00 N ATOM 1406 CA GLN A 90 -5.945 9.375 2.727 1.00 0.00 C ATOM 1407 C GLN A 90 -5.203 10.433 3.537 1.00 0.00 C ATOM 1408 O GLN A 90 -5.116 10.345 4.762 1.00 0.00 O ATOM 1409 CB GLN A 90 -7.416 9.767 2.578 1.00 0.00 C ATOM 1410 CG GLN A 90 -7.641 10.938 1.635 1.00 0.00 C ATOM 1411 CD GLN A 90 -8.787 11.828 2.072 1.00 0.00 C ATOM 1412 OE1 GLN A 90 -9.924 11.374 2.208 1.00 0.00 O ATOM 1413 NE2 GLN A 90 -8.494 13.104 2.297 1.00 0.00 N ATOM 0 H GLN A 90 -5.629 8.092 4.356 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.490 9.316 1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.978 8.906 2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.817 10.019 3.559 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.728 11.531 1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.842 10.559 0.633 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.538 13.438 2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.225 13.750 2.595 1.00 0.00 H new ATOM 1422 N LYS A 91 -4.671 11.435 2.844 1.00 0.00 N ATOM 1423 CA LYS A 91 -3.937 12.512 3.498 1.00 0.00 C ATOM 1424 C LYS A 91 -2.731 11.966 4.257 1.00 0.00 C ATOM 1425 O LYS A 91 -2.738 10.823 4.712 1.00 0.00 O ATOM 1426 CB LYS A 91 -4.855 13.274 4.457 1.00 0.00 C ATOM 1427 CG LYS A 91 -4.108 14.155 5.443 1.00 0.00 C ATOM 1428 CD LYS A 91 -3.789 13.409 6.728 1.00 0.00 C ATOM 1429 CE LYS A 91 -2.910 14.238 7.650 1.00 0.00 C ATOM 1430 NZ LYS A 91 -3.698 15.246 8.412 1.00 0.00 N ATOM 0 H LYS A 91 -4.735 11.523 1.830 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.580 13.195 2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.540 13.892 3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.463 12.558 5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.183 14.509 4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.708 15.036 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.716 13.153 7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.286 12.471 6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.393 13.579 8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.144 14.745 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.062 15.790 9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.171 15.891 7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.412 14.762 8.993 1.00 0.00 H new ATOM 1444 N TYR A 92 -1.700 12.793 4.391 1.00 0.00 N ATOM 1445 CA TYR A 92 -0.487 12.392 5.095 1.00 0.00 C ATOM 1446 C TYR A 92 0.593 13.462 4.970 1.00 0.00 C ATOM 1447 O TYR A 92 1.777 13.154 4.831 1.00 0.00 O ATOM 1448 CB TYR A 92 0.031 11.062 4.546 1.00 0.00 C ATOM 1449 CG TYR A 92 0.126 9.971 5.588 1.00 0.00 C ATOM 1450 CD1 TYR A 92 -0.833 9.853 6.587 1.00 0.00 C ATOM 1451 CD2 TYR A 92 1.174 9.060 5.577 1.00 0.00 C ATOM 1452 CE1 TYR A 92 -0.751 8.860 7.544 1.00 0.00 C ATOM 1453 CE2 TYR A 92 1.265 8.062 6.528 1.00 0.00 C ATOM 1454 CZ TYR A 92 0.300 7.967 7.509 1.00 0.00 C ATOM 1455 OH TYR A 92 0.387 6.975 8.459 1.00 0.00 O ATOM 0 H TYR A 92 -1.680 13.744 4.022 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.733 12.270 6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.627 10.729 3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.016 11.219 4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -1.657 10.550 6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.932 9.133 4.811 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.504 8.783 8.314 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.086 7.361 6.503 1.00 0.00 H new ATOM 0 HH TYR A 92 0.379 6.099 8.019 1.00 0.00 H new ATOM 1465 N LYS A 93 0.177 14.722 5.021 1.00 0.00 N ATOM 1466 CA LYS A 93 1.107 15.840 4.916 1.00 0.00 C ATOM 1467 C LYS A 93 1.691 15.933 3.510 1.00 0.00 C ATOM 1468 O LYS A 93 1.373 16.850 2.754 1.00 0.00 O ATOM 1469 CB LYS A 93 2.235 15.691 5.940 1.00 0.00 C ATOM 1470 CG LYS A 93 2.359 16.873 6.885 1.00 0.00 C ATOM 1471 CD LYS A 93 2.368 16.428 8.338 1.00 0.00 C ATOM 1472 CE LYS A 93 3.372 17.223 9.158 1.00 0.00 C ATOM 1473 NZ LYS A 93 4.175 16.345 10.054 1.00 0.00 N ATOM 0 H LYS A 93 -0.799 14.995 5.135 1.00 0.00 H new ATOM 0 HA LYS A 93 0.556 16.758 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.067 14.786 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.179 15.559 5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.276 17.420 6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.530 17.561 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.372 16.550 8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.611 15.367 8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.039 17.766 8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.845 17.967 9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.848 16.924 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.541 15.846 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.698 15.651 9.482 1.00 0.00 H new ATOM 1487 N ARG A 94 2.545 14.974 3.165 1.00 0.00 N ATOM 1488 CA ARG A 94 3.173 14.947 1.850 1.00 0.00 C ATOM 1489 C ARG A 94 4.132 13.766 1.729 1.00 0.00 C ATOM 1490 O ARG A 94 4.395 13.065 2.707 1.00 0.00 O ATOM 1491 CB ARG A 94 3.923 16.254 1.592 1.00 0.00 C ATOM 1492 CG ARG A 94 3.801 16.755 0.163 1.00 0.00 C ATOM 1493 CD ARG A 94 2.890 17.970 0.073 1.00 0.00 C ATOM 1494 NE ARG A 94 3.204 18.806 -1.082 1.00 0.00 N ATOM 1495 CZ ARG A 94 2.444 19.818 -1.486 1.00 0.00 C ATOM 1496 NH1 ARG A 94 1.331 20.117 -0.831 1.00 0.00 N ATOM 1497 NH2 ARG A 94 2.798 20.533 -2.546 1.00 0.00 N ATOM 0 H ARG A 94 2.817 14.206 3.778 1.00 0.00 H new ATOM 0 HA ARG A 94 2.387 14.833 1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.545 17.020 2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 94 4.977 16.111 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.789 17.011 -0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 94 3.411 15.959 -0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.853 17.641 0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 94 2.983 18.561 0.984 1.00 0.00 H new ATOM 0 HE ARG A 94 4.054 18.602 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.057 19.570 -0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.749 20.894 -1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.654 20.306 -3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.214 21.310 -2.855 1.00 0.00 H new ATOM 1511 N ILE A 95 4.650 13.552 0.525 1.00 0.00 N ATOM 1512 CA ILE A 95 5.580 12.457 0.278 1.00 0.00 C ATOM 1513 C ILE A 95 6.657 12.865 -0.722 1.00 0.00 C ATOM 1514 O ILE A 95 7.832 12.541 -0.552 1.00 0.00 O ATOM 1515 CB ILE A 95 4.851 11.208 -0.253 1.00 0.00 C ATOM 1516 CG1 ILE A 95 3.856 10.691 0.789 1.00 0.00 C ATOM 1517 CG2 ILE A 95 5.854 10.124 -0.619 1.00 0.00 C ATOM 1518 CD1 ILE A 95 2.963 9.583 0.274 1.00 0.00 C ATOM 0 H ILE A 95 4.442 14.122 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 95 6.046 12.218 1.234 1.00 0.00 H new ATOM 0 HB ILE A 95 4.299 11.482 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.407 10.329 1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.234 11.520 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.323 9.248 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.527 10.497 -1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.431 9.849 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.284 9.266 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.385 9.947 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.576 8.738 -0.039 1.00 0.00 H new ATOM 1530 N LYS A 96 6.248 13.581 -1.764 1.00 0.00 N ATOM 1531 CA LYS A 96 7.177 14.038 -2.790 1.00 0.00 C ATOM 1532 C LYS A 96 8.189 15.021 -2.209 1.00 0.00 C ATOM 1533 O LYS A 96 9.385 14.934 -2.490 1.00 0.00 O ATOM 1534 CB LYS A 96 6.414 14.697 -3.942 1.00 0.00 C ATOM 1535 CG LYS A 96 7.314 15.379 -4.957 1.00 0.00 C ATOM 1536 CD LYS A 96 6.522 15.903 -6.142 1.00 0.00 C ATOM 1537 CE LYS A 96 7.127 15.449 -7.463 1.00 0.00 C ATOM 1538 NZ LYS A 96 8.176 16.390 -7.944 1.00 0.00 N ATOM 0 H LYS A 96 5.279 13.857 -1.920 1.00 0.00 H new ATOM 0 HA LYS A 96 7.716 13.170 -3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.816 13.941 -4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.720 15.431 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.843 16.203 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.069 14.675 -5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.491 15.555 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.494 16.992 -6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.558 14.455 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.341 15.367 -8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.564 16.046 -8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.759 17.333 -8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.939 16.449 -7.239 1.00 0.00 H new ATOM 1552 N SER A 97 7.702 15.955 -1.400 1.00 0.00 N ATOM 1553 CA SER A 97 8.564 16.955 -0.780 1.00 0.00 C ATOM 1554 C SER A 97 8.085 17.288 0.629 1.00 0.00 C ATOM 1555 O SER A 97 6.943 17.699 0.829 1.00 0.00 O ATOM 1556 CB SER A 97 8.599 18.226 -1.633 1.00 0.00 C ATOM 1557 OG SER A 97 9.914 18.746 -1.719 1.00 0.00 O ATOM 0 H SER A 97 6.715 16.041 -1.158 1.00 0.00 H new ATOM 0 HA SER A 97 9.570 16.541 -0.714 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.225 18.007 -2.633 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.936 18.976 -1.202 1.00 0.00 H new ATOM 0 HG SER A 97 9.910 19.556 -2.270 1.00 0.00 H new ATOM 1563 N GLY A 98 8.969 17.106 1.606 1.00 0.00 N ATOM 1564 CA GLY A 98 8.620 17.391 2.985 1.00 0.00 C ATOM 1565 C GLY A 98 8.928 18.823 3.378 1.00 0.00 C ATOM 1566 O GLY A 98 9.123 19.693 2.530 1.00 0.00 O ATOM 0 H GLY A 98 9.921 16.766 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.558 17.197 3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.164 16.712 3.642 1.00 0.00 H new ATOM 1570 N PRO A 99 8.974 19.082 4.693 1.00 0.00 N ATOM 1571 CA PRO A 99 9.259 20.419 5.226 1.00 0.00 C ATOM 1572 C PRO A 99 10.705 20.838 4.993 1.00 0.00 C ATOM 1573 O PRO A 99 11.491 20.095 4.407 1.00 0.00 O ATOM 1574 CB PRO A 99 8.979 20.269 6.724 1.00 0.00 C ATOM 1575 CG PRO A 99 9.182 18.820 7.004 1.00 0.00 C ATOM 1576 CD PRO A 99 8.751 18.093 5.761 1.00 0.00 C ATOM 0 HA PRO A 99 8.659 21.189 4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.655 20.885 7.317 1.00 0.00 H new ATOM 0 HB3 PRO A 99 7.964 20.581 6.970 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.226 18.610 7.236 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.594 18.503 7.865 1.00 0.00 H new ATOM 0 HD2 PRO A 99 9.338 17.189 5.600 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.706 17.789 5.815 1.00 0.00 H new ATOM 1584 N SER A 100 11.051 22.035 5.457 1.00 0.00 N ATOM 1585 CA SER A 100 12.403 22.556 5.296 1.00 0.00 C ATOM 1586 C SER A 100 12.617 23.793 6.165 1.00 0.00 C ATOM 1587 O SER A 100 11.667 24.498 6.503 1.00 0.00 O ATOM 1588 CB SER A 100 12.669 22.898 3.829 1.00 0.00 C ATOM 1589 OG SER A 100 13.295 21.817 3.159 1.00 0.00 O ATOM 0 H SER A 100 10.413 22.662 5.947 1.00 0.00 H new ATOM 0 HA SER A 100 13.103 21.784 5.615 1.00 0.00 H new ATOM 0 HB2 SER A 100 11.730 23.142 3.333 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.302 23.783 3.768 1.00 0.00 H new ATOM 0 HG SER A 100 12.843 20.980 3.395 1.00 0.00 H new ATOM 1595 N SER A 101 13.871 24.048 6.522 1.00 0.00 N ATOM 1596 CA SER A 101 14.211 25.196 7.355 1.00 0.00 C ATOM 1597 C SER A 101 15.653 25.631 7.119 1.00 0.00 C ATOM 1598 O SER A 101 16.591 24.884 7.393 1.00 0.00 O ATOM 1599 CB SER A 101 14.002 24.860 8.834 1.00 0.00 C ATOM 1600 OG SER A 101 13.523 25.985 9.549 1.00 0.00 O ATOM 0 H SER A 101 14.669 23.475 6.248 1.00 0.00 H new ATOM 0 HA SER A 101 13.553 26.020 7.081 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.293 24.037 8.927 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.942 24.521 9.270 1.00 0.00 H new ATOM 0 HG SER A 101 13.396 25.744 10.490 1.00 0.00 H new ATOM 1606 N GLY A 102 15.822 26.846 6.607 1.00 0.00 N ATOM 1607 CA GLY A 102 17.153 27.361 6.342 1.00 0.00 C ATOM 1608 C GLY A 102 17.138 28.550 5.402 1.00 0.00 C ATOM 1609 O GLY A 102 16.154 29.286 5.337 1.00 0.00 O ATOM 0 H GLY A 102 15.061 27.483 6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 102 17.621 27.651 7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 102 17.767 26.569 5.912 1.00 0.00 H new TER 1613 GLY A 102