USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 971 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 65 CYS SG : rot 180:sc= -2.04 USER MOD Set 1.2: A 106 MET CE :methyl -145:sc= -1.52 (180deg=-3.27!) USER MOD Set 2.1: A 61 THR OG1 : rot 95:sc= 1.29 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -1.17 K(o=0.12,f=-6.3!) USER MOD Set 3.1: A 57 THR OG1 : rot 160:sc= 0.765 USER MOD Set 3.2: A 60 SER OG : rot 45:sc= 0.733 USER MOD Set 4.1: A 44 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0455) USER MOD Set 4.2: A 93 HIS : no HD1:sc= -10.2! C(o=-10!,f=-8.4!) USER MOD Single : A 1 GLY N :NH3+ 172:sc= 0 (180deg=-0.0503) 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 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0241) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -100:sc= -0.731 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 35 ASN : amide:sc= -0.935 K(o=-0.93,f=-0.25) USER MOD Single : A 39 SER OG : rot -56:sc= 1.11 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.91) USER MOD Single : A 70 THR OG1 : rot -105:sc= -0.215 USER MOD Single : A 72 LYS NZ :NH3+ -144:sc= -0.997 (180deg=-2.37!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -176:sc= 0.512 (180deg=0.5) USER MOD Single : A 92 CYS SG : rot 93:sc= 0.292 USER MOD Single : A 95 MET CE :methyl -105:sc= -2.21 (180deg=-5.24!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.63 X(o=-1.6,f=-1.4) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 21:sc= 0.841 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 60:sc= 0.229 USER MOD Single : A 119 SER OG : rot -162:sc= 0.41 USER MOD Single : A 120 HIS : no HD1:sc= -2.49! K(o=-2.5!,f=-1.1) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= -0.016 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.581 17.247 -5.436 1.00 0.00 N ATOM 2 CA GLY A 1 -17.456 17.695 -4.369 1.00 0.00 C ATOM 3 C GLY A 1 -16.692 18.305 -3.210 1.00 0.00 C ATOM 4 O GLY A 1 -17.033 18.085 -2.048 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.135 16.718 -6.140 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.138 18.071 -5.891 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.842 16.630 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.159 18.429 -4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.045 16.852 -4.008 1.00 0.00 H new ATOM 8 N SER A 2 -15.654 19.074 -3.527 1.00 0.00 N ATOM 9 CA SER A 2 -14.836 19.713 -2.503 1.00 0.00 C ATOM 10 C SER A 2 -14.848 21.230 -2.667 1.00 0.00 C ATOM 11 O SER A 2 -15.130 21.746 -3.749 1.00 0.00 O ATOM 12 CB SER A 2 -13.399 19.193 -2.570 1.00 0.00 C ATOM 13 OG SER A 2 -13.367 17.777 -2.534 1.00 0.00 O ATOM 0 H SER A 2 -15.360 19.269 -4.484 1.00 0.00 H new ATOM 0 HA SER A 2 -15.259 19.467 -1.529 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.923 19.548 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.824 19.594 -1.735 1.00 0.00 H new ATOM 0 HG SER A 2 -12.438 17.470 -2.580 1.00 0.00 H new ATOM 19 N SER A 3 -14.541 21.938 -1.585 1.00 0.00 N ATOM 20 CA SER A 3 -14.520 23.396 -1.607 1.00 0.00 C ATOM 21 C SER A 3 -13.217 23.929 -1.020 1.00 0.00 C ATOM 22 O SER A 3 -12.404 23.171 -0.494 1.00 0.00 O ATOM 23 CB SER A 3 -15.711 23.956 -0.826 1.00 0.00 C ATOM 24 OG SER A 3 -16.936 23.613 -1.449 1.00 0.00 O ATOM 0 H SER A 3 -14.304 21.526 -0.683 1.00 0.00 H new ATOM 0 HA SER A 3 -14.590 23.720 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.696 23.568 0.193 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.626 25.040 -0.756 1.00 0.00 H new ATOM 0 HG SER A 3 -17.681 23.981 -0.930 1.00 0.00 H new ATOM 30 N GLY A 4 -13.025 25.242 -1.115 1.00 0.00 N ATOM 31 CA GLY A 4 -11.820 25.855 -0.590 1.00 0.00 C ATOM 32 C GLY A 4 -11.864 27.369 -0.654 1.00 0.00 C ATOM 33 O GLY A 4 -12.938 27.968 -0.597 1.00 0.00 O ATOM 0 H GLY A 4 -13.683 25.891 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.678 25.542 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.958 25.496 -1.153 1.00 0.00 H new ATOM 37 N SER A 5 -10.695 27.990 -0.770 1.00 0.00 N ATOM 38 CA SER A 5 -10.605 29.444 -0.836 1.00 0.00 C ATOM 39 C SER A 5 -9.236 29.881 -1.349 1.00 0.00 C ATOM 40 O SER A 5 -8.228 29.219 -1.101 1.00 0.00 O ATOM 41 CB SER A 5 -10.863 30.055 0.543 1.00 0.00 C ATOM 42 OG SER A 5 -11.003 31.463 0.459 1.00 0.00 O ATOM 0 H SER A 5 -9.797 27.509 -0.820 1.00 0.00 H new ATOM 0 HA SER A 5 -11.365 29.799 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.766 29.622 0.973 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.040 29.808 1.214 1.00 0.00 H new ATOM 0 HG SER A 5 -11.169 31.829 1.353 1.00 0.00 H new ATOM 48 N SER A 6 -9.209 31.000 -2.066 1.00 0.00 N ATOM 49 CA SER A 6 -7.966 31.524 -2.619 1.00 0.00 C ATOM 50 C SER A 6 -7.122 32.181 -1.531 1.00 0.00 C ATOM 51 O SER A 6 -7.585 33.080 -0.829 1.00 0.00 O ATOM 52 CB SER A 6 -8.262 32.533 -3.730 1.00 0.00 C ATOM 53 OG SER A 6 -7.072 33.151 -4.188 1.00 0.00 O ATOM 0 H SER A 6 -10.034 31.561 -2.277 1.00 0.00 H new ATOM 0 HA SER A 6 -7.403 30.689 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.757 32.029 -4.560 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.951 33.293 -3.361 1.00 0.00 H new ATOM 0 HG SER A 6 -7.288 33.790 -4.899 1.00 0.00 H new ATOM 59 N GLY A 7 -5.880 31.726 -1.397 1.00 0.00 N ATOM 60 CA GLY A 7 -4.991 32.280 -0.393 1.00 0.00 C ATOM 61 C GLY A 7 -5.174 31.631 0.965 1.00 0.00 C ATOM 62 O GLY A 7 -5.994 32.078 1.767 1.00 0.00 O ATOM 0 H GLY A 7 -5.474 30.983 -1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.958 32.153 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.168 33.352 -0.307 1.00 0.00 H new ATOM 66 N GLU A 8 -4.410 30.574 1.222 1.00 0.00 N ATOM 67 CA GLU A 8 -4.495 29.862 2.492 1.00 0.00 C ATOM 68 C GLU A 8 -3.168 29.930 3.243 1.00 0.00 C ATOM 69 O GLU A 8 -2.089 29.868 2.655 1.00 0.00 O ATOM 70 CB GLU A 8 -4.887 28.402 2.258 1.00 0.00 C ATOM 71 CG GLU A 8 -3.700 27.484 2.016 1.00 0.00 C ATOM 72 CD GLU A 8 -4.110 26.138 1.451 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.954 25.463 2.076 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.585 25.760 0.382 1.00 0.00 O ATOM 0 H GLU A 8 -3.726 30.192 0.569 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.262 30.343 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.444 28.041 3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.558 28.348 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.006 27.967 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.165 27.333 2.954 1.00 0.00 H new ATOM 81 N PRO A 9 -3.249 30.061 4.576 1.00 0.00 N ATOM 82 CA PRO A 9 -2.066 30.141 5.437 1.00 0.00 C ATOM 83 C PRO A 9 -1.316 28.815 5.515 1.00 0.00 C ATOM 84 O PRO A 9 -1.886 27.790 5.890 1.00 0.00 O ATOM 85 CB PRO A 9 -2.646 30.508 6.805 1.00 0.00 C ATOM 86 CG PRO A 9 -4.047 30.002 6.770 1.00 0.00 C ATOM 87 CD PRO A 9 -4.503 30.142 5.344 1.00 0.00 C ATOM 0 HA PRO A 9 -1.337 30.859 5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.078 30.046 7.613 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.618 31.585 6.971 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.095 28.963 7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.686 30.575 7.442 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.197 29.350 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.016 31.089 5.177 1.00 0.00 H new ATOM 95 N ARG A 10 -0.036 28.843 5.160 1.00 0.00 N ATOM 96 CA ARG A 10 0.792 27.643 5.189 1.00 0.00 C ATOM 97 C ARG A 10 2.036 27.862 6.044 1.00 0.00 C ATOM 98 O ARG A 10 2.499 28.991 6.207 1.00 0.00 O ATOM 99 CB ARG A 10 1.198 27.243 3.770 1.00 0.00 C ATOM 100 CG ARG A 10 1.993 28.314 3.040 1.00 0.00 C ATOM 101 CD ARG A 10 1.078 29.304 2.336 1.00 0.00 C ATOM 102 NE ARG A 10 1.695 30.621 2.203 1.00 0.00 N ATOM 103 CZ ARG A 10 1.027 31.713 1.849 1.00 0.00 C ATOM 104 NH1 ARG A 10 -0.273 31.646 1.596 1.00 0.00 N ATOM 105 NH2 ARG A 10 1.659 32.876 1.750 1.00 0.00 N ATOM 0 H ARG A 10 0.451 29.684 4.849 1.00 0.00 H new ATOM 0 HA ARG A 10 0.206 26.838 5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.791 26.329 3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.301 27.013 3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.628 28.845 3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.653 27.845 2.311 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.823 28.922 1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.146 29.395 2.893 1.00 0.00 H new ATOM 0 HE ARG A 10 2.694 30.707 2.392 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.762 30.754 1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.784 32.486 1.324 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.658 32.932 1.946 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.145 33.714 1.478 1.00 0.00 H new ATOM 119 N ARG A 11 2.573 26.774 6.588 1.00 0.00 N ATOM 120 CA ARG A 11 3.763 26.848 7.428 1.00 0.00 C ATOM 121 C ARG A 11 5.024 26.597 6.606 1.00 0.00 C ATOM 122 O ARG A 11 4.994 25.953 5.557 1.00 0.00 O ATOM 123 CB ARG A 11 3.673 25.830 8.566 1.00 0.00 C ATOM 124 CG ARG A 11 2.977 26.365 9.807 1.00 0.00 C ATOM 125 CD ARG A 11 1.476 26.485 9.596 1.00 0.00 C ATOM 126 NE ARG A 11 1.116 27.726 8.916 1.00 0.00 N ATOM 127 CZ ARG A 11 1.139 28.918 9.502 1.00 0.00 C ATOM 128 NH1 ARG A 11 1.503 29.030 10.772 1.00 0.00 N ATOM 129 NH2 ARG A 11 0.797 30.002 8.817 1.00 0.00 N ATOM 0 H ARG A 11 2.203 25.832 6.462 1.00 0.00 H new ATOM 0 HA ARG A 11 3.818 27.851 7.850 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.139 24.948 8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.679 25.507 8.834 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.175 25.703 10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.389 27.341 10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.123 25.636 9.011 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.970 26.440 10.560 1.00 0.00 H new ATOM 0 HE ARG A 11 0.831 27.675 7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.767 28.199 11.302 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.520 29.947 11.219 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.516 29.920 7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.815 30.917 9.268 1.00 0.00 H new ATOM 143 N PRO A 12 6.160 27.118 7.092 1.00 0.00 N ATOM 144 CA PRO A 12 7.453 26.965 6.419 1.00 0.00 C ATOM 145 C PRO A 12 7.970 25.531 6.477 1.00 0.00 C ATOM 146 O PRO A 12 8.918 25.174 5.777 1.00 0.00 O ATOM 147 CB PRO A 12 8.376 27.899 7.206 1.00 0.00 C ATOM 148 CG PRO A 12 7.755 27.996 8.556 1.00 0.00 C ATOM 149 CD PRO A 12 6.270 27.898 8.337 1.00 0.00 C ATOM 0 HA PRO A 12 7.390 27.202 5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.388 27.499 7.264 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.447 28.878 6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.107 27.195 9.206 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.017 28.937 9.039 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.773 27.399 9.169 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.813 28.882 8.236 1.00 0.00 H new ATOM 157 N ARG A 13 7.342 24.714 7.317 1.00 0.00 N ATOM 158 CA ARG A 13 7.740 23.320 7.467 1.00 0.00 C ATOM 159 C ARG A 13 7.408 22.521 6.209 1.00 0.00 C ATOM 160 O ARG A 13 6.761 23.028 5.294 1.00 0.00 O ATOM 161 CB ARG A 13 7.045 22.696 8.678 1.00 0.00 C ATOM 162 CG ARG A 13 5.539 22.562 8.514 1.00 0.00 C ATOM 163 CD ARG A 13 4.912 21.839 9.696 1.00 0.00 C ATOM 164 NE ARG A 13 5.202 20.408 9.677 1.00 0.00 N ATOM 165 CZ ARG A 13 4.535 19.514 10.398 1.00 0.00 C ATOM 166 NH1 ARG A 13 3.545 19.901 11.190 1.00 0.00 N ATOM 167 NH2 ARG A 13 4.857 18.228 10.328 1.00 0.00 N ATOM 0 H ARG A 13 6.556 24.994 7.904 1.00 0.00 H new ATOM 0 HA ARG A 13 8.819 23.291 7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.471 21.710 8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.253 23.303 9.559 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.093 23.552 8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.319 22.018 7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.284 22.272 10.625 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.833 21.991 9.683 1.00 0.00 H new ATOM 0 HE ARG A 13 5.958 20.077 9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.293 20.888 11.247 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.035 19.212 11.742 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.618 17.925 9.720 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.344 17.543 10.882 1.00 0.00 H new ATOM 181 N ALA A 14 7.857 21.271 6.173 1.00 0.00 N ATOM 182 CA ALA A 14 7.606 20.402 5.030 1.00 0.00 C ATOM 183 C ALA A 14 6.135 20.009 4.951 1.00 0.00 C ATOM 184 O ALA A 14 5.748 18.924 5.382 1.00 0.00 O ATOM 185 CB ALA A 14 8.483 19.161 5.108 1.00 0.00 C ATOM 0 H ALA A 14 8.396 20.837 6.922 1.00 0.00 H new ATOM 0 HA ALA A 14 7.856 20.954 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.285 18.521 4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.532 19.456 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.261 18.615 6.025 1.00 0.00 H new ATOM 191 N GLY A 15 5.318 20.900 4.397 1.00 0.00 N ATOM 192 CA GLY A 15 3.898 20.628 4.273 1.00 0.00 C ATOM 193 C GLY A 15 3.613 19.418 3.405 1.00 0.00 C ATOM 194 O GLY A 15 4.466 18.551 3.213 1.00 0.00 O ATOM 0 H GLY A 15 5.614 21.805 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.474 20.468 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.400 21.500 3.850 1.00 0.00 H new ATOM 198 N PRO A 16 2.388 19.348 2.865 1.00 0.00 N ATOM 199 CA PRO A 16 1.964 18.239 2.005 1.00 0.00 C ATOM 200 C PRO A 16 2.667 18.254 0.652 1.00 0.00 C ATOM 201 O PRO A 16 2.400 17.413 -0.206 1.00 0.00 O ATOM 202 CB PRO A 16 0.463 18.479 1.830 1.00 0.00 C ATOM 203 CG PRO A 16 0.287 19.944 2.037 1.00 0.00 C ATOM 204 CD PRO A 16 1.321 20.346 3.051 1.00 0.00 C ATOM 0 HA PRO A 16 2.206 17.270 2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.127 18.176 0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.117 17.905 2.553 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.424 20.489 1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.718 20.170 2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.683 21.359 2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.921 20.322 4.064 1.00 0.00 H new ATOM 212 N GLU A 17 3.567 19.215 0.468 1.00 0.00 N ATOM 213 CA GLU A 17 4.308 19.338 -0.782 1.00 0.00 C ATOM 214 C GLU A 17 5.259 18.160 -0.969 1.00 0.00 C ATOM 215 O GLU A 17 5.209 17.463 -1.982 1.00 0.00 O ATOM 216 CB GLU A 17 5.093 20.651 -0.809 1.00 0.00 C ATOM 217 CG GLU A 17 6.025 20.826 0.379 1.00 0.00 C ATOM 218 CD GLU A 17 6.312 22.284 0.684 1.00 0.00 C ATOM 219 OE1 GLU A 17 7.243 22.847 0.071 1.00 0.00 O ATOM 220 OE2 GLU A 17 5.606 22.861 1.537 1.00 0.00 O ATOM 0 H GLU A 17 3.800 19.919 1.168 1.00 0.00 H new ATOM 0 HA GLU A 17 3.590 19.336 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.677 20.697 -1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.391 21.484 -0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.582 20.355 1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.963 20.309 0.180 1.00 0.00 H new ATOM 227 N GLU A 18 6.126 17.944 0.016 1.00 0.00 N ATOM 228 CA GLU A 18 7.090 16.851 -0.041 1.00 0.00 C ATOM 229 C GLU A 18 6.386 15.516 -0.264 1.00 0.00 C ATOM 230 O GLU A 18 6.685 14.795 -1.217 1.00 0.00 O ATOM 231 CB GLU A 18 7.910 16.798 1.249 1.00 0.00 C ATOM 232 CG GLU A 18 8.669 18.082 1.541 1.00 0.00 C ATOM 233 CD GLU A 18 9.750 18.367 0.517 1.00 0.00 C ATOM 234 OE1 GLU A 18 9.448 19.033 -0.495 1.00 0.00 O ATOM 235 OE2 GLU A 18 10.898 17.923 0.728 1.00 0.00 O ATOM 0 H GLU A 18 6.180 18.511 0.862 1.00 0.00 H new ATOM 0 HA GLU A 18 7.759 17.034 -0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.244 16.582 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.619 15.973 1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.968 18.916 1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.120 18.016 2.531 1.00 0.00 H new ATOM 242 N LEU A 19 5.449 15.192 0.621 1.00 0.00 N ATOM 243 CA LEU A 19 4.702 13.944 0.522 1.00 0.00 C ATOM 244 C LEU A 19 4.097 13.779 -0.869 1.00 0.00 C ATOM 245 O LEU A 19 4.279 12.750 -1.518 1.00 0.00 O ATOM 246 CB LEU A 19 3.597 13.902 1.579 1.00 0.00 C ATOM 247 CG LEU A 19 4.061 13.911 3.036 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.188 15.338 3.547 1.00 0.00 C ATOM 249 CD2 LEU A 19 3.100 13.114 3.906 1.00 0.00 C ATOM 0 H LEU A 19 5.189 15.777 1.415 1.00 0.00 H new ATOM 0 HA LEU A 19 5.395 13.121 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.940 14.757 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.999 13.006 1.415 1.00 0.00 H new ATOM 0 HG LEU A 19 5.043 13.440 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.519 15.325 4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.916 15.878 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.220 15.835 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.446 13.131 4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.105 13.556 3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.060 12.083 3.554 1.00 0.00 H new ATOM 261 N GLY A 20 3.379 14.803 -1.321 1.00 0.00 N ATOM 262 CA GLY A 20 2.761 14.753 -2.633 1.00 0.00 C ATOM 263 C GLY A 20 3.731 14.324 -3.716 1.00 0.00 C ATOM 264 O GLY A 20 3.321 13.930 -4.807 1.00 0.00 O ATOM 0 H GLY A 20 3.215 15.666 -0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.920 14.061 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.358 15.736 -2.879 1.00 0.00 H new ATOM 268 N LYS A 21 5.023 14.404 -3.415 1.00 0.00 N ATOM 269 CA LYS A 21 6.056 14.022 -4.370 1.00 0.00 C ATOM 270 C LYS A 21 6.494 12.577 -4.149 1.00 0.00 C ATOM 271 O LYS A 21 6.924 11.900 -5.084 1.00 0.00 O ATOM 272 CB LYS A 21 7.262 14.956 -4.248 1.00 0.00 C ATOM 273 CG LYS A 21 6.975 16.380 -4.690 1.00 0.00 C ATOM 274 CD LYS A 21 8.224 17.061 -5.225 1.00 0.00 C ATOM 275 CE LYS A 21 8.053 18.571 -5.286 1.00 0.00 C ATOM 276 NZ LYS A 21 8.171 19.197 -3.940 1.00 0.00 N ATOM 0 H LYS A 21 5.379 14.730 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 21 5.638 14.107 -5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.599 14.967 -3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.082 14.557 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.204 16.374 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.581 16.950 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.074 16.816 -4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.450 16.679 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.805 18.995 -5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.079 18.809 -5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.150 20.232 -4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.377 18.889 -3.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.068 18.908 -3.500 1.00 0.00 H new ATOM 290 N ILE A 22 6.381 12.112 -2.910 1.00 0.00 N ATOM 291 CA ILE A 22 6.763 10.748 -2.569 1.00 0.00 C ATOM 292 C ILE A 22 6.025 9.736 -3.439 1.00 0.00 C ATOM 293 O ILE A 22 6.645 8.948 -4.155 1.00 0.00 O ATOM 294 CB ILE A 22 6.478 10.437 -1.087 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.245 11.405 -0.184 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.851 8.997 -0.767 1.00 0.00 C ATOM 297 CD1 ILE A 22 7.009 11.170 1.291 1.00 0.00 C ATOM 0 H ILE A 22 6.028 12.660 -2.125 1.00 0.00 H new ATOM 0 HA ILE A 22 7.835 10.667 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 22 5.411 10.565 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.311 11.316 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.956 12.426 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.644 8.792 0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.265 8.322 -1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.912 8.844 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.584 11.892 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.948 11.288 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.324 10.160 1.554 1.00 0.00 H new ATOM 309 N LEU A 23 4.699 9.765 -3.376 1.00 0.00 N ATOM 310 CA LEU A 23 3.875 8.852 -4.160 1.00 0.00 C ATOM 311 C LEU A 23 3.210 9.581 -5.323 1.00 0.00 C ATOM 312 O LEU A 23 1.987 9.566 -5.460 1.00 0.00 O ATOM 313 CB LEU A 23 2.809 8.206 -3.273 1.00 0.00 C ATOM 314 CG LEU A 23 3.321 7.230 -2.212 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.160 6.633 -1.432 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.155 6.132 -2.855 1.00 0.00 C ATOM 0 H LEU A 23 4.171 10.411 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 23 4.523 8.074 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.253 8.998 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.103 7.678 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 23 3.955 7.779 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.543 5.941 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.604 7.431 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.500 6.098 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.511 5.447 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.545 5.585 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.008 6.576 -3.368 1.00 0.00 H new ATOM 328 N GLN A 24 4.025 10.216 -6.160 1.00 0.00 N ATOM 329 CA GLN A 24 3.515 10.949 -7.313 1.00 0.00 C ATOM 330 C GLN A 24 3.211 10.003 -8.469 1.00 0.00 C ATOM 331 O GLN A 24 4.119 9.484 -9.116 1.00 0.00 O ATOM 332 CB GLN A 24 4.525 12.008 -7.758 1.00 0.00 C ATOM 333 CG GLN A 24 4.063 12.827 -8.952 1.00 0.00 C ATOM 334 CD GLN A 24 5.202 13.559 -9.634 1.00 0.00 C ATOM 335 OE1 GLN A 24 5.615 13.198 -10.737 1.00 0.00 O ATOM 336 NE2 GLN A 24 5.715 14.594 -8.981 1.00 0.00 N ATOM 0 H GLN A 24 5.040 10.238 -6.061 1.00 0.00 H new ATOM 0 HA GLN A 24 2.589 11.441 -7.017 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.726 12.680 -6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.466 11.518 -8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.576 12.169 -9.672 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.316 13.550 -8.625 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.342 14.858 -8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.483 15.126 -9.391 1.00 0.00 H new ATOM 345 N GLY A 25 1.924 9.781 -8.723 1.00 0.00 N ATOM 346 CA GLY A 25 1.523 8.896 -9.801 1.00 0.00 C ATOM 347 C GLY A 25 1.295 7.474 -9.329 1.00 0.00 C ATOM 348 O GLY A 25 1.482 6.523 -10.089 1.00 0.00 O ATOM 0 H GLY A 25 1.153 10.198 -8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.609 9.275 -10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.291 8.900 -10.575 1.00 0.00 H new ATOM 352 N VAL A 26 0.892 7.327 -8.071 1.00 0.00 N ATOM 353 CA VAL A 26 0.639 6.010 -7.499 1.00 0.00 C ATOM 354 C VAL A 26 -0.811 5.875 -7.049 1.00 0.00 C ATOM 355 O VAL A 26 -1.416 6.836 -6.572 1.00 0.00 O ATOM 356 CB VAL A 26 1.565 5.732 -6.299 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.277 4.361 -5.708 1.00 0.00 C ATOM 358 CG2 VAL A 26 3.024 5.846 -6.715 1.00 0.00 C ATOM 0 H VAL A 26 0.734 8.103 -7.429 1.00 0.00 H new ATOM 0 HA VAL A 26 0.842 5.280 -8.283 1.00 0.00 H new ATOM 0 HB VAL A 26 1.370 6.480 -5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.941 4.183 -4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.241 4.320 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.443 3.596 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.664 5.647 -5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.236 5.121 -7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.219 6.852 -7.087 1.00 0.00 H new ATOM 368 N VAL A 27 -1.364 4.677 -7.203 1.00 0.00 N ATOM 369 CA VAL A 27 -2.744 4.415 -6.811 1.00 0.00 C ATOM 370 C VAL A 27 -2.818 3.313 -5.761 1.00 0.00 C ATOM 371 O VAL A 27 -2.510 2.154 -6.039 1.00 0.00 O ATOM 372 CB VAL A 27 -3.605 4.012 -8.023 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.072 3.926 -7.631 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.408 4.996 -9.167 1.00 0.00 C ATOM 0 H VAL A 27 -0.878 3.872 -7.597 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.134 5.341 -6.389 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.285 3.027 -8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.665 3.640 -8.500 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.196 3.180 -6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.408 4.896 -7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.024 4.696 -10.015 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.700 5.995 -8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.359 5.003 -9.464 1.00 0.00 H new ATOM 384 N VAL A 28 -3.228 3.682 -4.552 1.00 0.00 N ATOM 385 CA VAL A 28 -3.344 2.724 -3.458 1.00 0.00 C ATOM 386 C VAL A 28 -4.804 2.391 -3.172 1.00 0.00 C ATOM 387 O VAL A 28 -5.690 3.225 -3.356 1.00 0.00 O ATOM 388 CB VAL A 28 -2.689 3.260 -2.171 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.187 3.406 -2.357 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.316 4.586 -1.767 1.00 0.00 C ATOM 0 H VAL A 28 -3.486 4.637 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.823 1.820 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.863 2.542 -1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.742 3.786 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.754 2.435 -2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.987 4.102 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.841 4.950 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.174 5.314 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.382 4.445 -1.589 1.00 0.00 H new ATOM 400 N VAL A 29 -5.048 1.165 -2.720 1.00 0.00 N ATOM 401 CA VAL A 29 -6.401 0.720 -2.407 1.00 0.00 C ATOM 402 C VAL A 29 -6.461 0.075 -1.027 1.00 0.00 C ATOM 403 O VAL A 29 -5.696 -0.841 -0.724 1.00 0.00 O ATOM 404 CB VAL A 29 -6.919 -0.283 -3.454 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.197 -0.949 -2.968 1.00 0.00 C ATOM 406 CG2 VAL A 29 -7.142 0.409 -4.790 1.00 0.00 C ATOM 0 H VAL A 29 -4.326 0.462 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.036 1.606 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.165 -1.058 -3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.549 -1.655 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.999 -1.480 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.961 -0.190 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.508 -0.315 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.876 1.205 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.201 0.833 -5.141 1.00 0.00 H new ATOM 416 N LEU A 30 -7.376 0.559 -0.193 1.00 0.00 N ATOM 417 CA LEU A 30 -7.537 0.029 1.156 1.00 0.00 C ATOM 418 C LEU A 30 -8.496 -1.157 1.164 1.00 0.00 C ATOM 419 O LEU A 30 -9.633 -1.053 0.704 1.00 0.00 O ATOM 420 CB LEU A 30 -8.051 1.121 2.096 1.00 0.00 C ATOM 421 CG LEU A 30 -7.256 2.427 2.106 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.065 3.540 2.753 1.00 0.00 C ATOM 423 CD2 LEU A 30 -5.931 2.238 2.831 1.00 0.00 C ATOM 0 H LEU A 30 -8.017 1.317 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.562 -0.313 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.082 1.349 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.068 0.721 3.110 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.047 2.711 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.483 4.461 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.987 3.692 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.306 3.265 3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.378 3.177 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.120 1.930 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.345 1.471 2.325 1.00 0.00 H new ATOM 435 N SER A 31 -8.030 -2.284 1.693 1.00 0.00 N ATOM 436 CA SER A 31 -8.846 -3.491 1.759 1.00 0.00 C ATOM 437 C SER A 31 -8.610 -4.234 3.071 1.00 0.00 C ATOM 438 O SER A 31 -7.577 -4.877 3.257 1.00 0.00 O ATOM 439 CB SER A 31 -8.533 -4.410 0.577 1.00 0.00 C ATOM 440 OG SER A 31 -9.022 -5.720 0.805 1.00 0.00 O ATOM 0 H SER A 31 -7.093 -2.386 2.082 1.00 0.00 H new ATOM 0 HA SER A 31 -9.894 -3.194 1.711 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.980 -4.005 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.456 -4.444 0.414 1.00 0.00 H new ATOM 0 HG SER A 31 -8.287 -6.297 1.100 1.00 0.00 H new ATOM 446 N GLY A 32 -9.577 -4.141 3.979 1.00 0.00 N ATOM 447 CA GLY A 32 -9.457 -4.808 5.262 1.00 0.00 C ATOM 448 C GLY A 32 -8.968 -3.879 6.355 1.00 0.00 C ATOM 449 O GLY A 32 -8.026 -4.202 7.080 1.00 0.00 O ATOM 0 H GLY A 32 -10.441 -3.615 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.425 -5.220 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.769 -5.648 5.168 1.00 0.00 H new ATOM 453 N PHE A 33 -9.608 -2.720 6.474 1.00 0.00 N ATOM 454 CA PHE A 33 -9.231 -1.739 7.486 1.00 0.00 C ATOM 455 C PHE A 33 -10.431 -1.358 8.347 1.00 0.00 C ATOM 456 O PHE A 33 -11.579 -1.584 7.965 1.00 0.00 O ATOM 457 CB PHE A 33 -8.647 -0.490 6.822 1.00 0.00 C ATOM 458 CG PHE A 33 -7.308 -0.721 6.182 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.150 -0.700 6.942 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.208 -0.958 4.821 1.00 0.00 C ATOM 461 CE1 PHE A 33 -4.916 -0.912 6.357 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.977 -1.171 4.230 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.829 -1.147 4.999 1.00 0.00 C ATOM 0 H PHE A 33 -10.390 -2.437 5.883 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.474 -2.188 8.129 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.345 -0.130 6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.552 0.298 7.569 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.212 -0.516 8.004 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.102 -0.977 4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.021 -0.894 6.961 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.912 -1.356 3.168 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.866 -1.312 4.539 1.00 0.00 H new ATOM 473 N GLN A 34 -10.155 -0.779 9.512 1.00 0.00 N ATOM 474 CA GLN A 34 -11.212 -0.367 10.428 1.00 0.00 C ATOM 475 C GLN A 34 -10.883 0.977 11.070 1.00 0.00 C ATOM 476 O GLN A 34 -9.826 1.144 11.676 1.00 0.00 O ATOM 477 CB GLN A 34 -11.417 -1.427 11.512 1.00 0.00 C ATOM 478 CG GLN A 34 -12.629 -1.170 12.393 1.00 0.00 C ATOM 479 CD GLN A 34 -13.048 -2.395 13.181 1.00 0.00 C ATOM 480 OE1 GLN A 34 -13.426 -3.417 12.608 1.00 0.00 O ATOM 481 NE2 GLN A 34 -12.984 -2.299 14.504 1.00 0.00 N ATOM 0 H GLN A 34 -9.210 -0.585 9.843 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.133 -0.259 9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.523 -2.403 11.039 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.526 -1.471 12.138 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.405 -0.357 13.084 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.462 -0.840 11.772 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.665 -1.433 14.938 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.254 -3.092 15.087 1.00 0.00 H new ATOM 490 N ASN A 35 -11.797 1.932 10.932 1.00 0.00 N ATOM 491 CA ASN A 35 -11.603 3.262 11.497 1.00 0.00 C ATOM 492 C ASN A 35 -11.438 3.191 13.012 1.00 0.00 C ATOM 493 O ASN A 35 -11.824 2.216 13.658 1.00 0.00 O ATOM 494 CB ASN A 35 -12.786 4.167 11.144 1.00 0.00 C ATOM 495 CG ASN A 35 -14.082 3.393 10.999 1.00 0.00 C ATOM 496 OD1 ASN A 35 -14.812 3.196 11.970 1.00 0.00 O ATOM 497 ND2 ASN A 35 -14.374 2.951 9.781 1.00 0.00 N ATOM 0 H ASN A 35 -12.679 1.810 10.434 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.692 3.681 11.069 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.903 4.925 11.918 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.573 4.692 10.213 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.233 2.425 9.622 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.739 3.138 9.005 1.00 0.00 H new ATOM 504 N PRO A 36 -10.852 4.248 13.594 1.00 0.00 N ATOM 505 CA PRO A 36 -10.389 5.413 12.836 1.00 0.00 C ATOM 506 C PRO A 36 -9.176 5.095 11.968 1.00 0.00 C ATOM 507 O PRO A 36 -8.956 5.730 10.936 1.00 0.00 O ATOM 508 CB PRO A 36 -10.017 6.421 13.926 1.00 0.00 C ATOM 509 CG PRO A 36 -9.696 5.587 15.119 1.00 0.00 C ATOM 510 CD PRO A 36 -10.596 4.386 15.038 1.00 0.00 C ATOM 0 HA PRO A 36 -11.148 5.775 12.142 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.164 7.030 13.628 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.841 7.105 14.131 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -8.647 5.290 15.117 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.868 6.142 16.041 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.117 3.497 15.448 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.519 4.537 15.597 1.00 0.00 H new ATOM 518 N PHE A 37 -8.393 4.109 12.391 1.00 0.00 N ATOM 519 CA PHE A 37 -7.202 3.707 11.652 1.00 0.00 C ATOM 520 C PHE A 37 -7.439 3.799 10.148 1.00 0.00 C ATOM 521 O PHE A 37 -6.621 4.352 9.412 1.00 0.00 O ATOM 522 CB PHE A 37 -6.798 2.281 12.031 1.00 0.00 C ATOM 523 CG PHE A 37 -5.390 1.933 11.642 1.00 0.00 C ATOM 524 CD1 PHE A 37 -4.324 2.696 12.092 1.00 0.00 C ATOM 525 CD2 PHE A 37 -5.131 0.843 10.826 1.00 0.00 C ATOM 526 CE1 PHE A 37 -3.028 2.379 11.735 1.00 0.00 C ATOM 527 CE2 PHE A 37 -3.836 0.521 10.466 1.00 0.00 C ATOM 528 CZ PHE A 37 -2.783 1.290 10.922 1.00 0.00 C ATOM 0 H PHE A 37 -8.562 3.573 13.242 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.393 4.388 11.916 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.911 2.154 13.108 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.482 1.579 11.554 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.509 3.548 12.729 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.951 0.238 10.467 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.206 2.983 12.092 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.648 -0.331 9.829 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.770 1.040 10.643 1.00 0.00 H new ATOM 538 N ARG A 38 -8.563 3.251 9.697 1.00 0.00 N ATOM 539 CA ARG A 38 -8.907 3.268 8.281 1.00 0.00 C ATOM 540 C ARG A 38 -8.841 4.687 7.723 1.00 0.00 C ATOM 541 O ARG A 38 -8.132 4.950 6.752 1.00 0.00 O ATOM 542 CB ARG A 38 -10.307 2.690 8.067 1.00 0.00 C ATOM 543 CG ARG A 38 -10.793 2.785 6.630 1.00 0.00 C ATOM 544 CD ARG A 38 -12.276 2.467 6.521 1.00 0.00 C ATOM 545 NE ARG A 38 -12.620 1.898 5.221 1.00 0.00 N ATOM 546 CZ ARG A 38 -13.851 1.532 4.881 1.00 0.00 C ATOM 547 NH1 ARG A 38 -14.850 1.677 5.741 1.00 0.00 N ATOM 548 NH2 ARG A 38 -14.085 1.022 3.679 1.00 0.00 N ATOM 0 H ARG A 38 -9.251 2.790 10.292 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.182 2.652 7.749 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.310 1.644 8.374 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.010 3.214 8.715 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.606 3.788 6.247 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.225 2.095 6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.555 1.767 7.308 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.855 3.376 6.683 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.874 1.775 4.536 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.674 2.070 6.666 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.794 1.395 5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.319 0.910 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.031 0.741 3.419 1.00 0.00 H new ATOM 562 N SER A 39 -9.586 5.597 8.343 1.00 0.00 N ATOM 563 CA SER A 39 -9.615 6.987 7.906 1.00 0.00 C ATOM 564 C SER A 39 -8.220 7.603 7.958 1.00 0.00 C ATOM 565 O SER A 39 -7.700 8.073 6.947 1.00 0.00 O ATOM 566 CB SER A 39 -10.575 7.798 8.778 1.00 0.00 C ATOM 567 OG SER A 39 -10.101 7.889 10.110 1.00 0.00 O ATOM 0 H SER A 39 -10.177 5.396 9.149 1.00 0.00 H new ATOM 0 HA SER A 39 -9.965 7.010 6.874 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.693 8.798 8.361 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.560 7.332 8.770 1.00 0.00 H new ATOM 0 HG SER A 39 -9.961 6.988 10.470 1.00 0.00 H new ATOM 573 N GLU A 40 -7.621 7.595 9.145 1.00 0.00 N ATOM 574 CA GLU A 40 -6.286 8.153 9.329 1.00 0.00 C ATOM 575 C GLU A 40 -5.335 7.661 8.241 1.00 0.00 C ATOM 576 O GLU A 40 -4.664 8.456 7.582 1.00 0.00 O ATOM 577 CB GLU A 40 -5.739 7.779 10.708 1.00 0.00 C ATOM 578 CG GLU A 40 -4.270 8.123 10.894 1.00 0.00 C ATOM 579 CD GLU A 40 -3.634 7.365 12.043 1.00 0.00 C ATOM 580 OE1 GLU A 40 -4.293 7.219 13.094 1.00 0.00 O ATOM 581 OE2 GLU A 40 -2.478 6.918 11.891 1.00 0.00 O ATOM 0 H GLU A 40 -8.038 7.209 9.992 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.361 9.238 9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.323 8.291 11.472 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.876 6.709 10.866 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.729 7.901 9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.171 9.194 11.071 1.00 0.00 H new ATOM 588 N LEU A 41 -5.283 6.346 8.060 1.00 0.00 N ATOM 589 CA LEU A 41 -4.415 5.747 7.053 1.00 0.00 C ATOM 590 C LEU A 41 -4.658 6.371 5.683 1.00 0.00 C ATOM 591 O LEU A 41 -3.718 6.762 4.991 1.00 0.00 O ATOM 592 CB LEU A 41 -4.645 4.236 6.986 1.00 0.00 C ATOM 593 CG LEU A 41 -3.990 3.508 5.812 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.534 3.923 5.673 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.102 2.001 5.989 1.00 0.00 C ATOM 0 H LEU A 41 -5.832 5.675 8.597 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.381 5.939 7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.280 3.792 7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.719 4.054 6.947 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.515 3.786 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.084 3.395 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.477 4.998 5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.996 3.675 6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.630 1.499 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.603 1.705 6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.153 1.718 6.038 1.00 0.00 H new ATOM 607 N ARG A 42 -5.927 6.463 5.297 1.00 0.00 N ATOM 608 CA ARG A 42 -6.294 7.040 4.010 1.00 0.00 C ATOM 609 C ARG A 42 -5.761 8.464 3.881 1.00 0.00 C ATOM 610 O ARG A 42 -5.251 8.854 2.831 1.00 0.00 O ATOM 611 CB ARG A 42 -7.815 7.036 3.840 1.00 0.00 C ATOM 612 CG ARG A 42 -8.273 7.424 2.444 1.00 0.00 C ATOM 613 CD ARG A 42 -9.676 8.010 2.460 1.00 0.00 C ATOM 614 NE ARG A 42 -9.669 9.438 2.767 1.00 0.00 N ATOM 615 CZ ARG A 42 -10.765 10.136 3.039 1.00 0.00 C ATOM 616 NH1 ARG A 42 -11.950 9.542 3.044 1.00 0.00 N ATOM 617 NH2 ARG A 42 -10.678 11.433 3.309 1.00 0.00 N ATOM 0 H ARG A 42 -6.718 6.145 5.858 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.846 6.430 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.196 6.042 4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.255 7.724 4.562 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.579 8.150 2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.251 6.548 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.147 7.850 1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.280 7.483 3.198 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.773 9.926 2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.022 8.546 2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.790 10.081 3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.768 11.894 3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.521 11.968 3.518 1.00 0.00 H new ATOM 631 N ASP A 43 -5.885 9.236 4.955 1.00 0.00 N ATOM 632 CA ASP A 43 -5.415 10.616 4.963 1.00 0.00 C ATOM 633 C ASP A 43 -3.948 10.694 4.552 1.00 0.00 C ATOM 634 O ASP A 43 -3.600 11.349 3.570 1.00 0.00 O ATOM 635 CB ASP A 43 -5.603 11.234 6.350 1.00 0.00 C ATOM 636 CG ASP A 43 -5.650 12.748 6.307 1.00 0.00 C ATOM 637 OD1 ASP A 43 -4.570 13.375 6.272 1.00 0.00 O ATOM 638 OD2 ASP A 43 -6.767 13.307 6.309 1.00 0.00 O ATOM 0 H ASP A 43 -6.307 8.929 5.831 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.006 11.179 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.526 10.857 6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.787 10.917 7.000 1.00 0.00 H new ATOM 643 N LYS A 44 -3.090 10.021 5.312 1.00 0.00 N ATOM 644 CA LYS A 44 -1.660 10.012 5.029 1.00 0.00 C ATOM 645 C LYS A 44 -1.397 9.658 3.569 1.00 0.00 C ATOM 646 O LYS A 44 -0.593 10.305 2.898 1.00 0.00 O ATOM 647 CB LYS A 44 -0.944 9.016 5.943 1.00 0.00 C ATOM 648 CG LYS A 44 -0.563 9.596 7.295 1.00 0.00 C ATOM 649 CD LYS A 44 -1.710 9.498 8.286 1.00 0.00 C ATOM 650 CE LYS A 44 -1.403 10.254 9.570 1.00 0.00 C ATOM 651 NZ LYS A 44 -1.484 11.729 9.378 1.00 0.00 N ATOM 0 H LYS A 44 -3.361 9.474 6.129 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.272 11.013 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.587 8.150 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.043 8.659 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.305 9.066 7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.272 10.640 7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.618 9.899 7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.904 8.451 8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.104 9.950 10.347 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.405 9.987 9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.640 12.179 9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.535 11.945 8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.334 12.095 9.852 1.00 0.00 H new ATOM 665 N ALA A 45 -2.080 8.627 3.082 1.00 0.00 N ATOM 666 CA ALA A 45 -1.923 8.189 1.701 1.00 0.00 C ATOM 667 C ALA A 45 -2.179 9.336 0.729 1.00 0.00 C ATOM 668 O ALA A 45 -1.468 9.493 -0.265 1.00 0.00 O ATOM 669 CB ALA A 45 -2.858 7.026 1.406 1.00 0.00 C ATOM 0 H ALA A 45 -2.748 8.079 3.624 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.894 7.856 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.730 6.710 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.625 6.194 2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.890 7.340 1.564 1.00 0.00 H new ATOM 675 N LEU A 46 -3.200 10.135 1.020 1.00 0.00 N ATOM 676 CA LEU A 46 -3.551 11.269 0.171 1.00 0.00 C ATOM 677 C LEU A 46 -2.422 12.294 0.137 1.00 0.00 C ATOM 678 O LEU A 46 -2.099 12.839 -0.918 1.00 0.00 O ATOM 679 CB LEU A 46 -4.838 11.927 0.672 1.00 0.00 C ATOM 680 CG LEU A 46 -6.088 11.047 0.665 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.196 11.688 1.487 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.556 10.796 -0.761 1.00 0.00 C ATOM 0 H LEU A 46 -3.799 10.019 1.837 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.710 10.898 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.671 12.278 1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.034 12.807 0.060 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.836 10.088 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.078 11.048 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.859 11.815 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.446 12.661 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.447 10.168 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.790 11.747 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.767 10.293 -1.320 1.00 0.00 H new ATOM 694 N GLU A 47 -1.825 12.548 1.297 1.00 0.00 N ATOM 695 CA GLU A 47 -0.731 13.507 1.398 1.00 0.00 C ATOM 696 C GLU A 47 0.408 13.135 0.452 1.00 0.00 C ATOM 697 O GLU A 47 1.042 14.005 -0.146 1.00 0.00 O ATOM 698 CB GLU A 47 -0.212 13.573 2.836 1.00 0.00 C ATOM 699 CG GLU A 47 -0.919 14.612 3.691 1.00 0.00 C ATOM 700 CD GLU A 47 -2.160 14.063 4.368 1.00 0.00 C ATOM 701 OE1 GLU A 47 -2.034 13.091 5.142 1.00 0.00 O ATOM 702 OE2 GLU A 47 -3.257 14.607 4.125 1.00 0.00 O ATOM 0 H GLU A 47 -2.080 12.104 2.179 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.114 14.487 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.327 12.593 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.855 13.794 2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.230 14.983 4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.196 15.463 3.068 1.00 0.00 H new ATOM 709 N LEU A 48 0.661 11.837 0.323 1.00 0.00 N ATOM 710 CA LEU A 48 1.723 11.349 -0.550 1.00 0.00 C ATOM 711 C LEU A 48 1.353 11.537 -2.017 1.00 0.00 C ATOM 712 O LEU A 48 2.205 11.448 -2.900 1.00 0.00 O ATOM 713 CB LEU A 48 2.002 9.871 -0.269 1.00 0.00 C ATOM 714 CG LEU A 48 2.194 9.492 1.200 1.00 0.00 C ATOM 715 CD1 LEU A 48 1.794 8.044 1.435 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.636 9.725 1.627 1.00 0.00 C ATOM 0 H LEU A 48 0.146 11.104 0.811 1.00 0.00 H new ATOM 0 HA LEU A 48 2.623 11.929 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.176 9.283 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.897 9.580 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 48 1.549 10.128 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.938 7.793 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.746 7.908 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.412 7.391 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.754 9.450 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.300 9.115 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.888 10.777 1.497 1.00 0.00 H new ATOM 728 N GLY A 49 0.074 11.802 -2.271 1.00 0.00 N ATOM 729 CA GLY A 49 -0.387 12.001 -3.632 1.00 0.00 C ATOM 730 C GLY A 49 -0.894 10.721 -4.266 1.00 0.00 C ATOM 731 O GLY A 49 -1.039 10.640 -5.485 1.00 0.00 O ATOM 0 H GLY A 49 -0.650 11.882 -1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.183 12.745 -3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.429 12.402 -4.233 1.00 0.00 H new ATOM 735 N ALA A 50 -1.162 9.718 -3.437 1.00 0.00 N ATOM 736 CA ALA A 50 -1.655 8.436 -3.924 1.00 0.00 C ATOM 737 C ALA A 50 -3.173 8.454 -4.076 1.00 0.00 C ATOM 738 O ALA A 50 -3.875 9.124 -3.319 1.00 0.00 O ATOM 739 CB ALA A 50 -1.230 7.316 -2.985 1.00 0.00 C ATOM 0 H ALA A 50 -1.046 9.769 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.219 8.256 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.605 6.364 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.142 7.281 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.638 7.500 -1.991 1.00 0.00 H new ATOM 745 N LYS A 51 -3.673 7.713 -5.059 1.00 0.00 N ATOM 746 CA LYS A 51 -5.107 7.642 -5.311 1.00 0.00 C ATOM 747 C LYS A 51 -5.749 6.525 -4.495 1.00 0.00 C ATOM 748 O LYS A 51 -5.344 5.365 -4.586 1.00 0.00 O ATOM 749 CB LYS A 51 -5.374 7.418 -6.801 1.00 0.00 C ATOM 750 CG LYS A 51 -5.221 8.673 -7.642 1.00 0.00 C ATOM 751 CD LYS A 51 -6.026 8.584 -8.928 1.00 0.00 C ATOM 752 CE LYS A 51 -5.208 7.975 -10.056 1.00 0.00 C ATOM 753 NZ LYS A 51 -6.012 7.811 -11.299 1.00 0.00 N ATOM 0 H LYS A 51 -3.105 7.153 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.551 8.590 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.690 6.656 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.384 7.028 -6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.547 9.540 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.168 8.826 -7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.919 7.982 -8.759 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.363 9.579 -9.218 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.346 8.609 -10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.823 7.005 -9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.418 7.393 -12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.821 7.186 -11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.359 8.740 -11.613 1.00 0.00 H new ATOM 767 N TYR A 52 -6.751 6.880 -3.699 1.00 0.00 N ATOM 768 CA TYR A 52 -7.448 5.907 -2.866 1.00 0.00 C ATOM 769 C TYR A 52 -8.786 5.517 -3.487 1.00 0.00 C ATOM 770 O TYR A 52 -9.708 6.330 -3.564 1.00 0.00 O ATOM 771 CB TYR A 52 -7.670 6.472 -1.462 1.00 0.00 C ATOM 772 CG TYR A 52 -8.888 5.906 -0.768 1.00 0.00 C ATOM 773 CD1 TYR A 52 -8.894 4.604 -0.283 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.033 6.675 -0.595 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.006 4.083 0.351 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.148 6.163 0.040 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.130 4.867 0.510 1.00 0.00 C ATOM 778 OH TYR A 52 -12.238 4.352 1.143 1.00 0.00 O ATOM 0 H TYR A 52 -7.099 7.835 -3.613 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.826 5.014 -2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.788 6.269 -0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.770 7.555 -1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.015 3.989 -0.404 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.051 7.690 -0.963 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.995 3.068 0.720 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.029 6.775 0.168 1.00 0.00 H new ATOM 0 HH TYR A 52 -12.943 5.032 1.174 1.00 0.00 H new ATOM 788 N ARG A 53 -8.884 4.268 -3.929 1.00 0.00 N ATOM 789 CA ARG A 53 -10.108 3.769 -4.544 1.00 0.00 C ATOM 790 C ARG A 53 -10.830 2.801 -3.611 1.00 0.00 C ATOM 791 O ARG A 53 -10.212 2.022 -2.886 1.00 0.00 O ATOM 792 CB ARG A 53 -9.792 3.076 -5.871 1.00 0.00 C ATOM 793 CG ARG A 53 -9.142 3.990 -6.896 1.00 0.00 C ATOM 794 CD ARG A 53 -10.071 5.124 -7.299 1.00 0.00 C ATOM 795 NE ARG A 53 -11.292 4.634 -7.933 1.00 0.00 N ATOM 796 CZ ARG A 53 -12.391 5.366 -8.076 1.00 0.00 C ATOM 797 NH1 ARG A 53 -12.421 6.616 -7.634 1.00 0.00 N ATOM 798 NH2 ARG A 53 -13.462 4.849 -8.664 1.00 0.00 N ATOM 0 H ARG A 53 -8.131 3.583 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.762 4.620 -4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.132 2.230 -5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.714 2.673 -6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.220 4.402 -6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.867 3.412 -7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.331 5.710 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.550 5.793 -7.984 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.301 3.677 -8.285 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.599 7.017 -7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.266 7.176 -7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.442 3.889 -9.007 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.306 5.412 -8.773 1.00 0.00 H new ATOM 812 N PRO A 54 -12.170 2.851 -3.628 1.00 0.00 N ATOM 813 CA PRO A 54 -13.006 1.986 -2.790 1.00 0.00 C ATOM 814 C PRO A 54 -12.956 0.527 -3.233 1.00 0.00 C ATOM 815 O PRO A 54 -13.408 -0.365 -2.514 1.00 0.00 O ATOM 816 CB PRO A 54 -14.413 2.556 -2.983 1.00 0.00 C ATOM 817 CG PRO A 54 -14.372 3.223 -4.315 1.00 0.00 C ATOM 818 CD PRO A 54 -12.974 3.755 -4.468 1.00 0.00 C ATOM 0 HA PRO A 54 -12.674 1.980 -1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.166 1.768 -2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.665 3.264 -2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.611 2.519 -5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.104 4.028 -4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.648 3.733 -5.508 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.899 4.789 -4.132 1.00 0.00 H new ATOM 826 N ASP A 55 -12.405 0.292 -4.418 1.00 0.00 N ATOM 827 CA ASP A 55 -12.295 -1.059 -4.956 1.00 0.00 C ATOM 828 C ASP A 55 -11.112 -1.169 -5.912 1.00 0.00 C ATOM 829 O ASP A 55 -10.579 -0.160 -6.374 1.00 0.00 O ATOM 830 CB ASP A 55 -13.587 -1.451 -5.676 1.00 0.00 C ATOM 831 CG ASP A 55 -14.134 -0.328 -6.535 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.503 -0.006 -7.563 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.194 0.229 -6.178 1.00 0.00 O ATOM 0 H ASP A 55 -12.027 1.020 -5.025 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.130 -1.743 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.401 -2.325 -6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.337 -1.740 -4.939 1.00 0.00 H new ATOM 838 N TRP A 56 -10.706 -2.400 -6.204 1.00 0.00 N ATOM 839 CA TRP A 56 -9.585 -2.641 -7.104 1.00 0.00 C ATOM 840 C TRP A 56 -9.906 -2.161 -8.515 1.00 0.00 C ATOM 841 O TRP A 56 -10.633 -2.823 -9.257 1.00 0.00 O ATOM 842 CB TRP A 56 -9.233 -4.129 -7.127 1.00 0.00 C ATOM 843 CG TRP A 56 -8.006 -4.438 -7.930 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.951 -5.118 -9.113 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.658 -4.079 -7.608 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.650 -5.204 -9.546 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.837 -4.574 -8.641 1.00 0.00 C ATOM 848 CE3 TRP A 56 -6.064 -3.387 -6.549 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -4.456 -4.398 -8.643 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.694 -3.213 -6.552 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.902 -3.716 -7.593 1.00 0.00 C ATOM 0 H TRP A 56 -11.137 -3.246 -5.830 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.728 -2.078 -6.735 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -9.086 -4.476 -6.104 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -10.075 -4.688 -7.535 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.805 -5.528 -9.632 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -6.340 -5.663 -10.403 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.666 -2.995 -5.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.844 -4.785 -9.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.225 -2.680 -5.738 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.833 -3.563 -7.566 1.00 0.00 H new ATOM 862 N THR A 57 -9.361 -1.005 -8.882 1.00 0.00 N ATOM 863 CA THR A 57 -9.591 -0.436 -10.203 1.00 0.00 C ATOM 864 C THR A 57 -8.613 -1.006 -11.225 1.00 0.00 C ATOM 865 O THR A 57 -7.817 -1.891 -10.910 1.00 0.00 O ATOM 866 CB THR A 57 -9.461 1.099 -10.185 1.00 0.00 C ATOM 867 OG1 THR A 57 -8.303 1.483 -9.435 1.00 0.00 O ATOM 868 CG2 THR A 57 -10.700 1.739 -9.579 1.00 0.00 C ATOM 0 H THR A 57 -8.757 -0.444 -8.281 1.00 0.00 H new ATOM 0 HA THR A 57 -10.608 -0.703 -10.489 1.00 0.00 H new ATOM 0 HB THR A 57 -9.359 1.446 -11.213 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.040 2.394 -9.682 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.586 2.823 -9.577 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.575 1.468 -10.169 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.829 1.386 -8.556 1.00 0.00 H new ATOM 876 N ARG A 58 -8.677 -0.492 -12.449 1.00 0.00 N ATOM 877 CA ARG A 58 -7.797 -0.950 -13.517 1.00 0.00 C ATOM 878 C ARG A 58 -6.513 -0.127 -13.554 1.00 0.00 C ATOM 879 O ARG A 58 -5.611 -0.400 -14.346 1.00 0.00 O ATOM 880 CB ARG A 58 -8.510 -0.863 -14.867 1.00 0.00 C ATOM 881 CG ARG A 58 -8.642 0.555 -15.396 1.00 0.00 C ATOM 882 CD ARG A 58 -9.995 1.156 -15.048 1.00 0.00 C ATOM 883 NE ARG A 58 -10.983 0.925 -16.098 1.00 0.00 N ATOM 884 CZ ARG A 58 -12.130 1.590 -16.188 1.00 0.00 C ATOM 885 NH1 ARG A 58 -12.430 2.523 -15.295 1.00 0.00 N ATOM 886 NH2 ARG A 58 -12.978 1.323 -17.173 1.00 0.00 N ATOM 0 H ARG A 58 -9.329 0.242 -12.725 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.536 -1.989 -13.318 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.965 -1.464 -15.595 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.504 -1.300 -14.772 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.849 1.175 -14.979 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.510 0.555 -16.478 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.353 0.726 -14.113 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.884 2.228 -14.884 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.782 0.214 -16.801 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.780 2.731 -14.537 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.311 3.032 -15.366 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.750 0.607 -17.862 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.858 1.834 -17.241 1.00 0.00 H new ATOM 900 N ASP A 59 -6.438 0.881 -12.692 1.00 0.00 N ATOM 901 CA ASP A 59 -5.264 1.745 -12.626 1.00 0.00 C ATOM 902 C ASP A 59 -4.436 1.441 -11.381 1.00 0.00 C ATOM 903 O ASP A 59 -3.279 1.847 -11.279 1.00 0.00 O ATOM 904 CB ASP A 59 -5.685 3.215 -12.627 1.00 0.00 C ATOM 905 CG ASP A 59 -5.838 3.772 -14.029 1.00 0.00 C ATOM 906 OD1 ASP A 59 -6.329 3.036 -14.909 1.00 0.00 O ATOM 907 OD2 ASP A 59 -5.466 4.945 -14.245 1.00 0.00 O ATOM 0 H ASP A 59 -7.176 1.120 -12.029 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.650 1.551 -13.506 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.629 3.320 -12.092 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.944 3.803 -12.084 1.00 0.00 H new ATOM 912 N SER A 60 -5.037 0.724 -10.437 1.00 0.00 N ATOM 913 CA SER A 60 -4.357 0.370 -9.196 1.00 0.00 C ATOM 914 C SER A 60 -3.003 -0.272 -9.483 1.00 0.00 C ATOM 915 O SER A 60 -2.903 -1.210 -10.275 1.00 0.00 O ATOM 916 CB SER A 60 -5.222 -0.584 -8.370 1.00 0.00 C ATOM 917 OG SER A 60 -6.453 0.022 -8.015 1.00 0.00 O ATOM 0 H SER A 60 -5.993 0.377 -10.508 1.00 0.00 H new ATOM 0 HA SER A 60 -4.193 1.285 -8.627 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.412 -1.494 -8.940 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.685 -0.879 -7.469 1.00 0.00 H new ATOM 0 HG SER A 60 -6.830 0.479 -8.796 1.00 0.00 H new ATOM 923 N THR A 61 -1.963 0.241 -8.834 1.00 0.00 N ATOM 924 CA THR A 61 -0.614 -0.280 -9.020 1.00 0.00 C ATOM 925 C THR A 61 -0.127 -1.001 -7.768 1.00 0.00 C ATOM 926 O THR A 61 0.651 -1.947 -7.883 1.00 0.00 O ATOM 927 CB THR A 61 0.379 0.844 -9.370 1.00 0.00 C ATOM 928 OG1 THR A 61 0.448 1.790 -8.297 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.035 1.552 -10.651 1.00 0.00 C ATOM 0 H THR A 61 -2.029 1.017 -8.175 1.00 0.00 H new ATOM 0 HA THR A 61 -0.659 -0.986 -9.849 1.00 0.00 H new ATOM 0 HB THR A 61 1.361 0.396 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.203 1.568 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.681 2.342 -10.878 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.057 0.835 -11.472 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.026 1.987 -10.522 1.00 0.00 H new ATOM 937 N HIS A 62 -0.588 -0.545 -6.613 1.00 0.00 N ATOM 938 CA HIS A 62 -0.192 -1.156 -5.355 1.00 0.00 C ATOM 939 C HIS A 62 -1.416 -1.306 -4.450 1.00 0.00 C ATOM 940 O HIS A 62 -2.134 -0.349 -4.158 1.00 0.00 O ATOM 941 CB HIS A 62 0.938 -0.362 -4.698 1.00 0.00 C ATOM 942 CG HIS A 62 2.178 -0.238 -5.551 1.00 0.00 C ATOM 943 ND1 HIS A 62 2.336 0.753 -6.504 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.316 -0.988 -5.583 1.00 0.00 C ATOM 945 CE1 HIS A 62 3.520 0.596 -7.079 1.00 0.00 C ATOM 946 NE2 HIS A 62 4.125 -0.484 -6.507 1.00 0.00 N ATOM 0 H HIS A 62 -1.232 0.241 -6.521 1.00 0.00 H new ATOM 0 HA HIS A 62 0.204 -2.155 -5.540 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.574 0.637 -4.457 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.204 -0.840 -3.755 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.524 -1.847 -4.962 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.933 1.214 -7.862 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.048 -0.845 -6.749 1.00 0.00 H new ATOM 954 N LEU A 63 -1.639 -2.539 -4.007 1.00 0.00 N ATOM 955 CA LEU A 63 -2.767 -2.846 -3.134 1.00 0.00 C ATOM 956 C LEU A 63 -2.343 -2.819 -1.669 1.00 0.00 C ATOM 957 O LEU A 63 -1.548 -3.649 -1.227 1.00 0.00 O ATOM 958 CB LEU A 63 -3.349 -4.217 -3.483 1.00 0.00 C ATOM 959 CG LEU A 63 -4.166 -4.898 -2.385 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.479 -4.164 -2.163 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.422 -6.356 -2.738 1.00 0.00 C ATOM 0 H LEU A 63 -1.054 -3.342 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.532 -2.084 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.982 -4.107 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.528 -4.878 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.593 -4.864 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.047 -4.663 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.275 -3.136 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.058 -4.166 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.005 -6.825 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.974 -6.412 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.471 -6.877 -2.846 1.00 0.00 H new ATOM 973 N ILE A 64 -2.882 -1.863 -0.920 1.00 0.00 N ATOM 974 CA ILE A 64 -2.563 -1.730 0.496 1.00 0.00 C ATOM 975 C ILE A 64 -3.360 -2.724 1.334 1.00 0.00 C ATOM 976 O ILE A 64 -4.519 -2.480 1.669 1.00 0.00 O ATOM 977 CB ILE A 64 -2.844 -0.304 1.005 1.00 0.00 C ATOM 978 CG1 ILE A 64 -1.962 0.707 0.270 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.613 -0.224 2.507 1.00 0.00 C ATOM 980 CD1 ILE A 64 -0.483 0.512 0.520 1.00 0.00 C ATOM 0 H ILE A 64 -3.542 -1.169 -1.270 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.499 -1.941 0.601 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.887 -0.061 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.154 0.634 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.244 1.714 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.815 0.790 2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.280 -0.921 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.578 -0.484 2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.082 1.263 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.278 0.614 1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.186 -0.482 0.187 1.00 0.00 H new ATOM 992 N CYS A 65 -2.730 -3.844 1.671 1.00 0.00 N ATOM 993 CA CYS A 65 -3.380 -4.876 2.472 1.00 0.00 C ATOM 994 C CYS A 65 -2.977 -4.759 3.938 1.00 0.00 C ATOM 995 O CYS A 65 -1.824 -4.469 4.255 1.00 0.00 O ATOM 996 CB CYS A 65 -3.021 -6.264 1.941 1.00 0.00 C ATOM 997 SG CYS A 65 -3.566 -7.623 3.002 1.00 0.00 S ATOM 0 H CYS A 65 -1.770 -4.061 1.402 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.458 -4.735 2.398 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.463 -6.389 0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.940 -6.325 1.816 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.218 -8.756 2.469 1.00 0.00 H new ATOM 1003 N ALA A 66 -3.937 -4.986 4.830 1.00 0.00 N ATOM 1004 CA ALA A 66 -3.682 -4.907 6.263 1.00 0.00 C ATOM 1005 C ALA A 66 -3.113 -6.218 6.792 1.00 0.00 C ATOM 1006 O ALA A 66 -2.294 -6.225 7.712 1.00 0.00 O ATOM 1007 CB ALA A 66 -4.960 -4.545 7.006 1.00 0.00 C ATOM 0 H ALA A 66 -4.898 -5.226 4.585 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.941 -4.126 6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.756 -4.489 8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.324 -3.579 6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.717 -5.307 6.820 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.551 -7.328 6.207 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.086 -8.646 6.622 1.00 0.00 C ATOM 1015 C PHE A 67 -3.352 -9.684 5.535 1.00 0.00 C ATOM 1016 O PHE A 67 -4.356 -9.613 4.827 1.00 0.00 O ATOM 1017 CB PHE A 67 -3.772 -9.067 7.923 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.216 -8.658 7.998 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -6.202 -9.440 7.420 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -5.586 -7.492 8.648 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.531 -9.066 7.487 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -6.913 -7.112 8.719 1.00 0.00 C ATOM 1023 CZ PHE A 67 -7.887 -7.901 8.139 1.00 0.00 C ATOM 0 H PHE A 67 -4.228 -7.341 5.444 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.010 -8.587 6.789 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.703 -10.150 8.027 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.235 -8.631 8.765 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.929 -10.353 6.911 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.828 -6.872 9.105 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.290 -9.684 7.030 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.188 -6.200 9.227 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.925 -7.608 8.195 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.444 -10.645 5.408 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.580 -11.698 4.409 1.00 0.00 C ATOM 1035 C ALA A 68 -3.711 -12.655 4.771 1.00 0.00 C ATOM 1036 O ALA A 68 -4.379 -12.484 5.789 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.270 -12.458 4.261 1.00 0.00 C ATOM 0 H ALA A 68 -1.606 -10.717 5.985 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.826 -11.231 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.386 -13.241 3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.484 -11.771 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.000 -12.907 5.217 1.00 0.00 H new ATOM 1043 N ASN A 69 -3.920 -13.661 3.928 1.00 0.00 N ATOM 1044 CA ASN A 69 -4.972 -14.645 4.159 1.00 0.00 C ATOM 1045 C ASN A 69 -6.352 -14.008 4.024 1.00 0.00 C ATOM 1046 O ASN A 69 -7.278 -14.343 4.763 1.00 0.00 O ATOM 1047 CB ASN A 69 -4.820 -15.269 5.548 1.00 0.00 C ATOM 1048 CG ASN A 69 -3.394 -15.699 5.835 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -2.622 -15.979 4.918 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -3.039 -15.754 7.113 1.00 0.00 N ATOM 0 H ASN A 69 -3.376 -13.816 3.080 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.876 -15.426 3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.139 -14.551 6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.481 -16.132 5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.093 -16.037 7.368 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.712 -15.513 7.840 1.00 0.00 H new ATOM 1057 N THR A 70 -6.482 -13.086 3.075 1.00 0.00 N ATOM 1058 CA THR A 70 -7.747 -12.401 2.843 1.00 0.00 C ATOM 1059 C THR A 70 -8.308 -12.733 1.464 1.00 0.00 C ATOM 1060 O THR A 70 -7.591 -13.175 0.566 1.00 0.00 O ATOM 1061 CB THR A 70 -7.590 -10.874 2.966 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.274 -10.483 2.561 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.843 -10.418 4.395 1.00 0.00 C ATOM 0 H THR A 70 -5.726 -12.797 2.455 1.00 0.00 H new ATOM 0 HA THR A 70 -8.440 -12.751 3.608 1.00 0.00 H new ATOM 0 HB THR A 70 -8.325 -10.401 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.742 -10.257 3.352 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.726 -9.336 4.458 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.856 -10.692 4.690 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.128 -10.899 5.062 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.620 -12.516 1.290 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.305 -12.784 0.022 1.00 0.00 C ATOM 1073 C PRO A 71 -9.897 -11.807 -1.075 1.00 0.00 C ATOM 1074 O PRO A 71 -9.901 -12.149 -2.258 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.784 -12.607 0.374 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.787 -11.684 1.543 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.535 -11.991 2.317 1.00 0.00 C ATOM 0 HA PRO A 71 -10.062 -13.771 -0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.343 -12.188 -0.463 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.249 -13.561 0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.800 -10.644 1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.674 -11.837 2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.131 -11.100 2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.718 -12.723 3.104 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.545 -10.590 -0.676 1.00 0.00 N ATOM 1086 CA LYS A 72 -9.133 -9.562 -1.625 1.00 0.00 C ATOM 1087 C LYS A 72 -7.650 -9.692 -1.957 1.00 0.00 C ATOM 1088 O LYS A 72 -7.208 -9.294 -3.035 1.00 0.00 O ATOM 1089 CB LYS A 72 -9.420 -8.170 -1.057 1.00 0.00 C ATOM 1090 CG LYS A 72 -9.049 -7.040 -2.002 1.00 0.00 C ATOM 1091 CD LYS A 72 -10.184 -6.720 -2.960 1.00 0.00 C ATOM 1092 CE LYS A 72 -11.196 -5.775 -2.331 1.00 0.00 C ATOM 1093 NZ LYS A 72 -12.140 -6.492 -1.430 1.00 0.00 N ATOM 0 H LYS A 72 -9.537 -10.291 0.299 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.706 -9.698 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.480 -8.097 -0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.871 -8.047 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.796 -6.150 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.160 -7.316 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.780 -6.270 -3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.682 -7.643 -3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.671 -5.004 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.757 -5.269 -3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.084 -6.062 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.193 -7.493 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.803 -6.423 -0.448 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.887 -10.252 -1.025 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.453 -10.433 -1.219 1.00 0.00 C ATOM 1109 C TYR A 73 -5.176 -11.388 -2.376 1.00 0.00 C ATOM 1110 O TYR A 73 -4.326 -11.122 -3.226 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.807 -10.965 0.062 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.475 -11.643 -0.168 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -3.410 -12.972 -0.568 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -2.282 -10.955 0.016 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -2.196 -13.596 -0.779 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -1.063 -11.570 -0.194 1.00 0.00 C ATOM 1117 CZ TYR A 73 -1.025 -12.890 -0.591 1.00 0.00 C ATOM 1118 OH TYR A 73 0.187 -13.507 -0.799 1.00 0.00 O ATOM 0 H TYR A 73 -7.237 -10.588 -0.128 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.019 -9.463 -1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.669 -10.139 0.760 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.488 -11.672 0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.325 -13.527 -0.717 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.308 -9.922 0.329 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.163 -14.630 -1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.145 -11.020 -0.048 1.00 0.00 H new ATOM 0 HH TYR A 73 0.912 -12.871 -0.624 1.00 0.00 H new ATOM 1128 N SER A 74 -5.900 -12.502 -2.401 1.00 0.00 N ATOM 1129 CA SER A 74 -5.732 -13.500 -3.451 1.00 0.00 C ATOM 1130 C SER A 74 -6.139 -12.934 -4.808 1.00 0.00 C ATOM 1131 O SER A 74 -5.417 -13.079 -5.794 1.00 0.00 O ATOM 1132 CB SER A 74 -6.560 -14.747 -3.137 1.00 0.00 C ATOM 1133 OG SER A 74 -6.546 -15.656 -4.224 1.00 0.00 O ATOM 0 H SER A 74 -6.609 -12.736 -1.706 1.00 0.00 H new ATOM 0 HA SER A 74 -4.678 -13.774 -3.492 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.165 -15.235 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.587 -14.459 -2.913 1.00 0.00 H new ATOM 0 HG SER A 74 -7.081 -16.445 -3.997 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.300 -12.290 -4.849 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.805 -11.703 -6.085 1.00 0.00 C ATOM 1141 C GLN A 75 -6.718 -10.895 -6.787 1.00 0.00 C ATOM 1142 O GLN A 75 -6.297 -11.232 -7.894 1.00 0.00 O ATOM 1143 CB GLN A 75 -9.013 -10.810 -5.795 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.459 -9.983 -6.990 1.00 0.00 C ATOM 1145 CD GLN A 75 -10.796 -9.305 -6.764 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -10.861 -8.100 -6.519 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -11.873 -10.079 -6.845 1.00 0.00 N ATOM 0 H GLN A 75 -7.909 -12.161 -4.041 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.113 -12.515 -6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.844 -11.433 -5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.769 -10.140 -4.971 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.704 -9.227 -7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.526 -10.626 -7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.772 -11.073 -7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.800 -9.679 -6.702 1.00 0.00 H new ATOM 1156 N VAL A 76 -6.267 -9.827 -6.137 1.00 0.00 N ATOM 1157 CA VAL A 76 -5.229 -8.972 -6.699 1.00 0.00 C ATOM 1158 C VAL A 76 -3.941 -9.753 -6.933 1.00 0.00 C ATOM 1159 O VAL A 76 -3.044 -9.294 -7.642 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.930 -7.774 -5.778 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.924 -6.837 -6.429 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -6.213 -7.034 -5.433 1.00 0.00 C ATOM 0 H VAL A 76 -6.605 -9.533 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.605 -8.603 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.494 -8.150 -4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.726 -5.997 -5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.996 -7.376 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.329 -6.466 -7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.983 -6.191 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.680 -6.669 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.897 -7.711 -4.922 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.855 -10.935 -6.333 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.676 -11.782 -6.476 1.00 0.00 C ATOM 1174 C LEU A 77 -2.647 -12.447 -7.848 1.00 0.00 C ATOM 1175 O LEU A 77 -1.618 -12.462 -8.521 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.652 -12.847 -5.379 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.282 -13.439 -5.047 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -1.345 -14.241 -3.757 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -0.785 -14.308 -6.193 1.00 0.00 C ATOM 0 H LEU A 77 -4.588 -11.329 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.792 -11.151 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.068 -12.413 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.315 -13.660 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.578 -12.619 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.361 -14.654 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.656 -13.591 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.063 -15.053 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.191 -14.721 -5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.490 -15.122 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.700 -13.705 -7.097 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.787 -12.997 -8.258 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.871 -13.655 -9.548 1.00 0.00 C ATOM 1193 C GLY A 78 -3.843 -12.673 -10.703 1.00 0.00 C ATOM 1194 O GLY A 78 -3.248 -12.946 -11.746 1.00 0.00 O ATOM 0 H GLY A 78 -4.653 -12.998 -7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.042 -14.355 -9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.789 -14.240 -9.595 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.490 -11.528 -10.518 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.539 -10.501 -11.554 1.00 0.00 C ATOM 1200 C LEU A 79 -3.134 -10.057 -11.947 1.00 0.00 C ATOM 1201 O LEU A 79 -2.810 -9.964 -13.130 1.00 0.00 O ATOM 1202 CB LEU A 79 -5.350 -9.298 -11.069 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.867 -9.484 -11.025 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.506 -8.444 -10.119 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.455 -9.407 -12.427 1.00 0.00 C ATOM 0 H LEU A 79 -4.988 -11.287 -9.661 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.024 -10.928 -12.432 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.007 -9.034 -10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.127 -8.450 -11.716 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.081 -10.472 -10.617 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.586 -8.592 -10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.108 -8.547 -9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.283 -7.446 -10.497 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.535 -9.542 -12.376 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.231 -8.433 -12.863 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.021 -10.191 -13.047 1.00 0.00 H new ATOM 1217 N GLY A 80 -2.302 -9.786 -10.946 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.941 -9.357 -11.208 1.00 0.00 C ATOM 1219 C GLY A 80 -0.626 -8.013 -10.581 1.00 0.00 C ATOM 1220 O GLY A 80 0.221 -7.272 -11.078 1.00 0.00 O ATOM 0 H GLY A 80 -2.547 -9.856 -9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.247 -10.105 -10.824 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.783 -9.298 -12.285 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.311 -7.697 -9.486 1.00 0.00 N ATOM 1225 CA GLY A 81 -1.086 -6.433 -8.810 1.00 0.00 C ATOM 1226 C GLY A 81 -0.081 -6.550 -7.681 1.00 0.00 C ATOM 1227 O GLY A 81 0.075 -7.617 -7.088 1.00 0.00 O ATOM 0 H GLY A 81 -2.017 -8.294 -9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.733 -5.696 -9.532 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.032 -6.063 -8.414 1.00 0.00 H new ATOM 1231 N ARG A 82 0.604 -5.450 -7.385 1.00 0.00 N ATOM 1232 CA ARG A 82 1.601 -5.434 -6.321 1.00 0.00 C ATOM 1233 C ARG A 82 0.934 -5.376 -4.951 1.00 0.00 C ATOM 1234 O ARG A 82 0.460 -4.322 -4.525 1.00 0.00 O ATOM 1235 CB ARG A 82 2.543 -4.241 -6.494 1.00 0.00 C ATOM 1236 CG ARG A 82 3.946 -4.491 -5.964 1.00 0.00 C ATOM 1237 CD ARG A 82 4.983 -3.691 -6.737 1.00 0.00 C ATOM 1238 NE ARG A 82 5.418 -4.384 -7.947 1.00 0.00 N ATOM 1239 CZ ARG A 82 6.125 -3.805 -8.911 1.00 0.00 C ATOM 1240 NH1 ARG A 82 6.475 -2.530 -8.807 1.00 0.00 N ATOM 1241 NH2 ARG A 82 6.484 -4.501 -9.982 1.00 0.00 N ATOM 0 H ARG A 82 0.487 -4.559 -7.867 1.00 0.00 H new ATOM 0 HA ARG A 82 2.179 -6.356 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.603 -3.987 -7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.119 -3.377 -5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.991 -4.223 -4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.179 -5.554 -6.033 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.566 -2.720 -7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.845 -3.502 -6.098 1.00 0.00 H new ATOM 0 HE ARG A 82 5.165 -5.366 -8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.201 -1.991 -7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.018 -2.088 -9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.217 -5.482 -10.066 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.027 -4.055 -10.722 1.00 0.00 H new ATOM 1255 N ILE A 83 0.900 -6.514 -4.265 1.00 0.00 N ATOM 1256 CA ILE A 83 0.292 -6.591 -2.943 1.00 0.00 C ATOM 1257 C ILE A 83 1.322 -6.338 -1.848 1.00 0.00 C ATOM 1258 O ILE A 83 2.228 -7.144 -1.635 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.367 -7.963 -2.706 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.324 -8.298 -3.851 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -1.101 -7.975 -1.374 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.590 -9.780 -4.002 1.00 0.00 C ATOM 0 H ILE A 83 1.287 -7.395 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.474 -5.817 -2.903 1.00 0.00 H new ATOM 0 HB ILE A 83 0.413 -8.724 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.270 -7.782 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.910 -7.914 -4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.561 -8.951 -1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.395 -7.776 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.874 -7.206 -1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.277 -9.944 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.652 -10.300 -4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.033 -10.166 -3.084 1.00 0.00 H new ATOM 1274 N VAL A 84 1.176 -5.214 -1.154 1.00 0.00 N ATOM 1275 CA VAL A 84 2.092 -4.855 -0.078 1.00 0.00 C ATOM 1276 C VAL A 84 1.336 -4.564 1.213 1.00 0.00 C ATOM 1277 O VAL A 84 0.114 -4.418 1.209 1.00 0.00 O ATOM 1278 CB VAL A 84 2.942 -3.626 -0.451 1.00 0.00 C ATOM 1279 CG1 VAL A 84 3.921 -3.971 -1.563 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.048 -2.464 -0.857 1.00 0.00 C ATOM 0 H VAL A 84 0.432 -4.536 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 84 2.751 -5.710 0.075 1.00 0.00 H new ATOM 0 HB VAL A 84 3.517 -3.324 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.513 -3.090 -1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.583 -4.770 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.370 -4.300 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.665 -1.604 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.445 -2.752 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.392 -2.202 -0.027 1.00 0.00 H new ATOM 1290 N ARG A 85 2.072 -4.480 2.317 1.00 0.00 N ATOM 1291 CA ARG A 85 1.470 -4.207 3.617 1.00 0.00 C ATOM 1292 C ARG A 85 1.004 -2.756 3.706 1.00 0.00 C ATOM 1293 O ARG A 85 1.255 -1.956 2.805 1.00 0.00 O ATOM 1294 CB ARG A 85 2.469 -4.502 4.737 1.00 0.00 C ATOM 1295 CG ARG A 85 3.107 -5.879 4.637 1.00 0.00 C ATOM 1296 CD ARG A 85 2.296 -6.924 5.387 1.00 0.00 C ATOM 1297 NE ARG A 85 2.191 -6.617 6.811 1.00 0.00 N ATOM 1298 CZ ARG A 85 3.136 -6.911 7.698 1.00 0.00 C ATOM 1299 NH1 ARG A 85 4.250 -7.515 7.309 1.00 0.00 N ATOM 1300 NH2 ARG A 85 2.967 -6.599 8.977 1.00 0.00 N ATOM 0 H ARG A 85 3.085 -4.597 2.337 1.00 0.00 H new ATOM 0 HA ARG A 85 0.603 -4.857 3.732 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.253 -3.745 4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.961 -4.415 5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.193 -6.166 3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.119 -5.843 5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.297 -6.986 4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.760 -7.902 5.260 1.00 0.00 H new ATOM 0 HE ARG A 85 1.346 -6.152 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.384 -7.755 6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.974 -7.739 7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.111 -6.133 9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.693 -6.825 9.657 1.00 0.00 H new ATOM 1314 N LYS A 86 0.324 -2.425 4.799 1.00 0.00 N ATOM 1315 CA LYS A 86 -0.177 -1.072 5.007 1.00 0.00 C ATOM 1316 C LYS A 86 0.907 -0.175 5.597 1.00 0.00 C ATOM 1317 O LYS A 86 0.967 1.018 5.300 1.00 0.00 O ATOM 1318 CB LYS A 86 -1.394 -1.094 5.934 1.00 0.00 C ATOM 1319 CG LYS A 86 -1.091 -1.623 7.325 1.00 0.00 C ATOM 1320 CD LYS A 86 -0.673 -0.506 8.267 1.00 0.00 C ATOM 1321 CE LYS A 86 -0.122 -1.056 9.574 1.00 0.00 C ATOM 1322 NZ LYS A 86 -1.181 -1.711 10.390 1.00 0.00 N ATOM 0 H LYS A 86 0.107 -3.076 5.554 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.472 -0.668 4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.794 -0.084 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.173 -1.709 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.972 -2.126 7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.297 -2.368 7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.082 0.114 7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.529 0.137 8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.669 -1.775 9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.329 -0.246 10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.780 -2.012 11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.956 -1.038 10.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.547 -2.541 9.882 1.00 0.00 H new ATOM 1336 N GLU A 87 1.762 -0.758 6.431 1.00 0.00 N ATOM 1337 CA GLU A 87 2.844 -0.010 7.061 1.00 0.00 C ATOM 1338 C GLU A 87 3.585 0.842 6.035 1.00 0.00 C ATOM 1339 O GLU A 87 4.096 1.915 6.356 1.00 0.00 O ATOM 1340 CB GLU A 87 3.822 -0.966 7.748 1.00 0.00 C ATOM 1341 CG GLU A 87 4.526 -0.357 8.949 1.00 0.00 C ATOM 1342 CD GLU A 87 4.937 -1.397 9.973 1.00 0.00 C ATOM 1343 OE1 GLU A 87 5.579 -2.394 9.581 1.00 0.00 O ATOM 1344 OE2 GLU A 87 4.617 -1.214 11.166 1.00 0.00 O ATOM 0 H GLU A 87 1.727 -1.745 6.686 1.00 0.00 H new ATOM 0 HA GLU A 87 2.407 0.651 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.282 -1.857 8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.570 -1.289 7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.410 0.184 8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.867 0.372 9.421 1.00 0.00 H new ATOM 1351 N TRP A 88 3.640 0.356 4.800 1.00 0.00 N ATOM 1352 CA TRP A 88 4.319 1.073 3.726 1.00 0.00 C ATOM 1353 C TRP A 88 3.869 2.529 3.674 1.00 0.00 C ATOM 1354 O TRP A 88 4.693 3.443 3.631 1.00 0.00 O ATOM 1355 CB TRP A 88 4.051 0.394 2.383 1.00 0.00 C ATOM 1356 CG TRP A 88 4.726 1.072 1.229 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.053 1.377 1.121 1.00 0.00 C ATOM 1358 CD2 TRP A 88 4.107 1.529 0.022 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.296 1.997 -0.081 1.00 0.00 N ATOM 1360 CE2 TRP A 88 5.119 2.101 -0.774 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.797 1.509 -0.465 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.859 2.649 -2.028 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.541 2.053 -1.710 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.568 2.616 -2.480 1.00 0.00 C ATOM 0 H TRP A 88 3.223 -0.531 4.517 1.00 0.00 H new ATOM 0 HA TRP A 88 5.390 1.051 3.928 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.388 -0.641 2.434 1.00 0.00 H new ATOM 0 HB3 TRP A 88 2.976 0.371 2.204 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.801 1.162 1.870 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.205 2.326 -0.405 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.999 1.076 0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.649 3.085 -2.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.532 2.044 -2.096 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.336 3.032 -3.449 1.00 0.00 H new ATOM 1375 N VAL A 89 2.556 2.738 3.677 1.00 0.00 N ATOM 1376 CA VAL A 89 1.996 4.084 3.631 1.00 0.00 C ATOM 1377 C VAL A 89 2.344 4.867 4.892 1.00 0.00 C ATOM 1378 O VAL A 89 2.910 5.958 4.822 1.00 0.00 O ATOM 1379 CB VAL A 89 0.465 4.049 3.466 1.00 0.00 C ATOM 1380 CG1 VAL A 89 -0.111 5.455 3.537 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.086 3.373 2.157 1.00 0.00 C ATOM 0 H VAL A 89 1.860 1.993 3.711 1.00 0.00 H new ATOM 0 HA VAL A 89 2.435 4.581 2.766 1.00 0.00 H new ATOM 0 HB VAL A 89 0.041 3.467 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.194 5.411 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.131 5.899 4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.317 6.064 2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.999 3.357 2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.519 3.926 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.466 2.351 2.152 1.00 0.00 H new ATOM 1391 N LEU A 90 2.001 4.303 6.045 1.00 0.00 N ATOM 1392 CA LEU A 90 2.278 4.948 7.324 1.00 0.00 C ATOM 1393 C LEU A 90 3.729 5.412 7.397 1.00 0.00 C ATOM 1394 O LEU A 90 4.004 6.610 7.475 1.00 0.00 O ATOM 1395 CB LEU A 90 1.978 3.988 8.477 1.00 0.00 C ATOM 1396 CG LEU A 90 0.502 3.676 8.724 1.00 0.00 C ATOM 1397 CD1 LEU A 90 0.352 2.653 9.840 1.00 0.00 C ATOM 1398 CD2 LEU A 90 -0.263 4.949 9.059 1.00 0.00 C ATOM 0 H LEU A 90 1.531 3.401 6.121 1.00 0.00 H new ATOM 0 HA LEU A 90 1.632 5.822 7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.500 3.050 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.398 4.408 9.391 1.00 0.00 H new ATOM 0 HG LEU A 90 0.082 3.252 7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.705 2.443 10.002 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.866 1.733 9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.788 3.049 10.757 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.312 4.708 9.232 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.158 5.401 9.957 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.184 5.650 8.228 1.00 0.00 H new ATOM 1410 N ASP A 91 4.652 4.457 7.370 1.00 0.00 N ATOM 1411 CA ASP A 91 6.075 4.769 7.430 1.00 0.00 C ATOM 1412 C ASP A 91 6.432 5.874 6.442 1.00 0.00 C ATOM 1413 O ASP A 91 7.104 6.844 6.796 1.00 0.00 O ATOM 1414 CB ASP A 91 6.905 3.518 7.137 1.00 0.00 C ATOM 1415 CG ASP A 91 8.303 3.601 7.719 1.00 0.00 C ATOM 1416 OD1 ASP A 91 8.532 4.466 8.589 1.00 0.00 O ATOM 1417 OD2 ASP A 91 9.168 2.801 7.303 1.00 0.00 O ATOM 0 H ASP A 91 4.440 3.461 7.307 1.00 0.00 H new ATOM 0 HA ASP A 91 6.303 5.120 8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.396 2.644 7.544 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.971 3.374 6.059 1.00 0.00 H new ATOM 1422 N CYS A 92 5.980 5.721 5.202 1.00 0.00 N ATOM 1423 CA CYS A 92 6.253 6.706 4.161 1.00 0.00 C ATOM 1424 C CYS A 92 5.829 8.101 4.608 1.00 0.00 C ATOM 1425 O CYS A 92 6.607 9.042 4.464 1.00 0.00 O ATOM 1426 CB CYS A 92 5.527 6.327 2.870 1.00 0.00 C ATOM 1427 SG CYS A 92 6.487 5.262 1.768 1.00 0.00 S ATOM 0 H CYS A 92 5.423 4.924 4.893 1.00 0.00 H new ATOM 0 HA CYS A 92 7.327 6.715 3.976 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.595 5.822 3.125 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.260 7.238 2.335 1.00 0.00 H new ATOM 0 HG CYS A 92 6.205 4.017 2.014 1.00 0.00 H new ATOM 1433 N HIS A 93 4.617 8.203 5.133 1.00 0.00 N ATOM 1434 CA HIS A 93 4.106 9.484 5.591 1.00 0.00 C ATOM 1435 C HIS A 93 4.906 9.949 6.810 1.00 0.00 C ATOM 1436 O HIS A 93 5.602 10.964 6.784 1.00 0.00 O ATOM 1437 CB HIS A 93 2.603 9.402 5.865 1.00 0.00 C ATOM 1438 CG HIS A 93 2.002 10.688 6.382 1.00 0.00 C ATOM 1439 ND1 HIS A 93 2.004 11.031 7.723 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.381 11.709 5.724 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.409 12.207 7.855 1.00 0.00 C ATOM 1442 NE2 HIS A 93 1.023 12.625 6.615 1.00 0.00 N ATOM 0 H HIS A 93 3.974 7.420 5.251 1.00 0.00 H new ATOM 0 HA HIS A 93 4.234 10.232 4.808 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.091 9.118 4.945 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.419 8.609 6.590 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.210 11.763 4.659 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.256 12.741 8.781 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.539 13.498 6.407 1.00 0.00 H new ATOM 1450 N ARG A 94 4.789 9.178 7.886 1.00 0.00 N ATOM 1451 CA ARG A 94 5.489 9.488 9.127 1.00 0.00 C ATOM 1452 C ARG A 94 6.896 10.007 8.843 1.00 0.00 C ATOM 1453 O ARG A 94 7.276 11.083 9.304 1.00 0.00 O ATOM 1454 CB ARG A 94 5.561 8.248 10.020 1.00 0.00 C ATOM 1455 CG ARG A 94 6.314 8.477 11.320 1.00 0.00 C ATOM 1456 CD ARG A 94 5.436 9.155 12.361 1.00 0.00 C ATOM 1457 NE ARG A 94 5.831 8.806 13.722 1.00 0.00 N ATOM 1458 CZ ARG A 94 5.417 7.710 14.349 1.00 0.00 C ATOM 1459 NH1 ARG A 94 4.601 6.862 13.740 1.00 0.00 N ATOM 1460 NH2 ARG A 94 5.821 7.461 15.588 1.00 0.00 N ATOM 0 H ARG A 94 4.217 8.335 7.924 1.00 0.00 H new ATOM 0 HA ARG A 94 4.931 10.268 9.645 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.548 7.917 10.250 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.043 7.441 9.468 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.670 7.523 11.708 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.194 9.091 11.129 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.492 10.236 12.233 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.397 8.868 12.201 1.00 0.00 H new ATOM 0 HE ARG A 94 6.459 9.438 14.219 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.289 7.050 12.787 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.285 6.022 14.224 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.450 8.111 16.060 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.503 6.620 16.069 1.00 0.00 H new ATOM 1474 N MET A 95 7.664 9.233 8.083 1.00 0.00 N ATOM 1475 CA MET A 95 9.028 9.615 7.738 1.00 0.00 C ATOM 1476 C MET A 95 9.039 10.607 6.580 1.00 0.00 C ATOM 1477 O MET A 95 10.049 11.260 6.319 1.00 0.00 O ATOM 1478 CB MET A 95 9.850 8.377 7.372 1.00 0.00 C ATOM 1479 CG MET A 95 9.874 7.319 8.463 1.00 0.00 C ATOM 1480 SD MET A 95 11.398 6.355 8.462 1.00 0.00 S ATOM 1481 CE MET A 95 11.158 5.346 7.002 1.00 0.00 C ATOM 0 H MET A 95 7.365 8.338 7.695 1.00 0.00 H new ATOM 0 HA MET A 95 9.475 10.095 8.608 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.444 7.938 6.461 1.00 0.00 H new ATOM 0 HB3 MET A 95 10.873 8.682 7.151 1.00 0.00 H new ATOM 0 HG2 MET A 95 9.754 7.801 9.433 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.024 6.649 8.332 1.00 0.00 H new ATOM 0 HE1 MET A 95 10.905 4.329 7.300 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.348 5.761 6.402 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.075 5.334 6.413 1.00 0.00 H new ATOM 1491 N ARG A 96 7.908 10.715 5.889 1.00 0.00 N ATOM 1492 CA ARG A 96 7.789 11.627 4.758 1.00 0.00 C ATOM 1493 C ARG A 96 8.828 11.305 3.688 1.00 0.00 C ATOM 1494 O ARG A 96 9.397 12.205 3.070 1.00 0.00 O ATOM 1495 CB ARG A 96 7.952 13.075 5.223 1.00 0.00 C ATOM 1496 CG ARG A 96 7.032 13.453 6.372 1.00 0.00 C ATOM 1497 CD ARG A 96 7.126 14.936 6.696 1.00 0.00 C ATOM 1498 NE ARG A 96 8.484 15.333 7.056 1.00 0.00 N ATOM 1499 CZ ARG A 96 8.788 16.509 7.593 1.00 0.00 C ATOM 1500 NH1 ARG A 96 7.835 17.400 7.831 1.00 0.00 N ATOM 1501 NH2 ARG A 96 10.048 16.797 7.894 1.00 0.00 N ATOM 0 H ARG A 96 7.062 10.183 6.093 1.00 0.00 H new ATOM 0 HA ARG A 96 6.796 11.501 4.326 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.986 13.235 5.529 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.761 13.741 4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.004 13.200 6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.292 12.869 7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.795 15.517 5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.450 15.171 7.518 1.00 0.00 H new ATOM 0 HE ARG A 96 9.241 14.671 6.886 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.865 17.183 7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.072 18.302 8.244 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.784 16.115 7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.280 17.701 8.306 1.00 0.00 H new ATOM 1515 N ARG A 97 9.070 10.016 3.474 1.00 0.00 N ATOM 1516 CA ARG A 97 10.041 9.575 2.481 1.00 0.00 C ATOM 1517 C ARG A 97 9.485 8.421 1.651 1.00 0.00 C ATOM 1518 O ARG A 97 8.541 7.746 2.063 1.00 0.00 O ATOM 1519 CB ARG A 97 11.342 9.146 3.162 1.00 0.00 C ATOM 1520 CG ARG A 97 11.219 7.852 3.950 1.00 0.00 C ATOM 1521 CD ARG A 97 12.584 7.304 4.336 1.00 0.00 C ATOM 1522 NE ARG A 97 13.200 8.078 5.410 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.338 7.735 6.003 1.00 0.00 C ATOM 1524 NH1 ARG A 97 14.981 6.638 5.629 1.00 0.00 N ATOM 1525 NH2 ARG A 97 14.836 8.491 6.973 1.00 0.00 N ATOM 0 H ARG A 97 8.606 9.258 3.976 1.00 0.00 H new ATOM 0 HA ARG A 97 10.247 10.413 1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.117 9.028 2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.670 9.940 3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.628 8.027 4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.683 7.112 3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.482 6.265 4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.237 7.311 3.464 1.00 0.00 H new ATOM 0 HE ARG A 97 12.731 8.928 5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.602 6.054 4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.855 6.378 6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.345 9.336 7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.710 8.227 7.428 1.00 0.00 H new ATOM 1539 N ARG A 98 10.076 8.201 0.481 1.00 0.00 N ATOM 1540 CA ARG A 98 9.639 7.131 -0.407 1.00 0.00 C ATOM 1541 C ARG A 98 10.365 5.828 -0.085 1.00 0.00 C ATOM 1542 O ARG A 98 11.587 5.739 -0.208 1.00 0.00 O ATOM 1543 CB ARG A 98 9.884 7.518 -1.866 1.00 0.00 C ATOM 1544 CG ARG A 98 9.635 6.383 -2.847 1.00 0.00 C ATOM 1545 CD ARG A 98 9.440 6.904 -4.262 1.00 0.00 C ATOM 1546 NE ARG A 98 9.597 5.849 -5.260 1.00 0.00 N ATOM 1547 CZ ARG A 98 10.768 5.311 -5.582 1.00 0.00 C ATOM 1548 NH1 ARG A 98 11.878 5.728 -4.988 1.00 0.00 N ATOM 1549 NH2 ARG A 98 10.831 4.355 -6.500 1.00 0.00 N ATOM 0 H ARG A 98 10.859 8.750 0.126 1.00 0.00 H new ATOM 0 HA ARG A 98 8.571 6.979 -0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.239 8.358 -2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.913 7.861 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.477 5.691 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.753 5.822 -2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.447 7.344 -4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.160 7.699 -4.458 1.00 0.00 H new ATOM 0 HE ARG A 98 8.762 5.507 -5.735 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.834 6.463 -4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.776 5.313 -5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.979 4.032 -6.960 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.731 3.943 -6.746 1.00 0.00 H new ATOM 1563 N LEU A 99 9.604 4.819 0.326 1.00 0.00 N ATOM 1564 CA LEU A 99 10.175 3.520 0.665 1.00 0.00 C ATOM 1565 C LEU A 99 9.906 2.502 -0.439 1.00 0.00 C ATOM 1566 O LEU A 99 8.864 2.521 -1.094 1.00 0.00 O ATOM 1567 CB LEU A 99 9.598 3.018 1.990 1.00 0.00 C ATOM 1568 CG LEU A 99 9.670 3.992 3.166 1.00 0.00 C ATOM 1569 CD1 LEU A 99 8.819 3.495 4.324 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.112 4.189 3.608 1.00 0.00 C ATOM 0 H LEU A 99 8.591 4.875 0.432 1.00 0.00 H new ATOM 0 HA LEU A 99 11.254 3.640 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.554 2.750 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.123 2.104 2.269 1.00 0.00 H new ATOM 0 HG LEU A 99 9.276 4.955 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.883 4.201 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.782 3.407 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.182 2.520 4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.144 4.885 4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.532 3.232 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.695 4.592 2.779 1.00 0.00 H new ATOM 1582 N PRO A 100 10.866 1.589 -0.649 1.00 0.00 N ATOM 1583 CA PRO A 100 10.754 0.544 -1.671 1.00 0.00 C ATOM 1584 C PRO A 100 9.701 -0.501 -1.319 1.00 0.00 C ATOM 1585 O PRO A 100 9.947 -1.394 -0.507 1.00 0.00 O ATOM 1586 CB PRO A 100 12.149 -0.086 -1.687 1.00 0.00 C ATOM 1587 CG PRO A 100 12.701 0.180 -0.330 1.00 0.00 C ATOM 1588 CD PRO A 100 12.134 1.507 0.095 1.00 0.00 C ATOM 0 HA PRO A 100 10.442 0.947 -2.634 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.098 -1.156 -1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.774 0.357 -2.462 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.417 -0.607 0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.790 0.210 -0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.972 1.548 1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.803 2.330 -0.158 1.00 0.00 H new ATOM 1596 N SER A 101 8.529 -0.384 -1.934 1.00 0.00 N ATOM 1597 CA SER A 101 7.437 -1.318 -1.683 1.00 0.00 C ATOM 1598 C SER A 101 7.949 -2.755 -1.645 1.00 0.00 C ATOM 1599 O SER A 101 7.337 -3.626 -1.028 1.00 0.00 O ATOM 1600 CB SER A 101 6.359 -1.176 -2.759 1.00 0.00 C ATOM 1601 OG SER A 101 6.923 -1.243 -4.057 1.00 0.00 O ATOM 0 H SER A 101 8.311 0.348 -2.610 1.00 0.00 H new ATOM 0 HA SER A 101 7.004 -1.080 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.616 -1.965 -2.641 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.838 -0.227 -2.634 1.00 0.00 H new ATOM 0 HG SER A 101 6.214 -1.151 -4.727 1.00 0.00 H new ATOM 1607 N GLN A 102 9.075 -2.993 -2.309 1.00 0.00 N ATOM 1608 CA GLN A 102 9.669 -4.323 -2.353 1.00 0.00 C ATOM 1609 C GLN A 102 9.851 -4.885 -0.946 1.00 0.00 C ATOM 1610 O GLN A 102 9.555 -6.051 -0.690 1.00 0.00 O ATOM 1611 CB GLN A 102 11.017 -4.280 -3.076 1.00 0.00 C ATOM 1612 CG GLN A 102 10.901 -3.975 -4.561 1.00 0.00 C ATOM 1613 CD GLN A 102 10.690 -2.500 -4.839 1.00 0.00 C ATOM 1614 OE1 GLN A 102 9.694 -2.107 -5.445 1.00 0.00 O ATOM 1615 NE2 GLN A 102 11.631 -1.674 -4.396 1.00 0.00 N ATOM 0 H GLN A 102 9.594 -2.282 -2.824 1.00 0.00 H new ATOM 0 HA GLN A 102 8.992 -4.977 -2.901 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.648 -3.525 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.519 -5.239 -2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.805 -4.311 -5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.070 -4.542 -4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.441 -2.044 -3.898 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.544 -0.670 -4.554 1.00 0.00 H new ATOM 1624 N ARG A 103 10.341 -4.046 -0.039 1.00 0.00 N ATOM 1625 CA ARG A 103 10.564 -4.459 1.341 1.00 0.00 C ATOM 1626 C ARG A 103 9.257 -4.897 1.996 1.00 0.00 C ATOM 1627 O ARG A 103 9.263 -5.573 3.025 1.00 0.00 O ATOM 1628 CB ARG A 103 11.190 -3.316 2.143 1.00 0.00 C ATOM 1629 CG ARG A 103 12.577 -2.923 1.662 1.00 0.00 C ATOM 1630 CD ARG A 103 13.659 -3.732 2.360 1.00 0.00 C ATOM 1631 NE ARG A 103 13.744 -5.095 1.843 1.00 0.00 N ATOM 1632 CZ ARG A 103 14.235 -6.115 2.537 1.00 0.00 C ATOM 1633 NH1 ARG A 103 14.683 -5.927 3.771 1.00 0.00 N ATOM 1634 NH2 ARG A 103 14.278 -7.327 1.998 1.00 0.00 N ATOM 0 H ARG A 103 10.591 -3.077 -0.235 1.00 0.00 H new ATOM 0 HA ARG A 103 11.249 -5.307 1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 103 10.536 -2.446 2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.248 -3.608 3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.646 -3.074 0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.740 -1.861 1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.621 -3.236 2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.455 -3.763 3.430 1.00 0.00 H new ATOM 0 HE ARG A 103 13.408 -5.273 0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.651 -4.997 4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.060 -6.712 4.302 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.934 -7.476 1.049 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.655 -8.110 2.532 1.00 0.00 H new ATOM 1648 N TYR A 104 8.140 -4.508 1.392 1.00 0.00 N ATOM 1649 CA TYR A 104 6.826 -4.858 1.917 1.00 0.00 C ATOM 1650 C TYR A 104 6.055 -5.723 0.925 1.00 0.00 C ATOM 1651 O TYR A 104 4.832 -5.623 0.815 1.00 0.00 O ATOM 1652 CB TYR A 104 6.027 -3.592 2.235 1.00 0.00 C ATOM 1653 CG TYR A 104 6.696 -2.693 3.250 1.00 0.00 C ATOM 1654 CD1 TYR A 104 7.798 -1.922 2.904 1.00 0.00 C ATOM 1655 CD2 TYR A 104 6.226 -2.616 4.556 1.00 0.00 C ATOM 1656 CE1 TYR A 104 8.413 -1.099 3.828 1.00 0.00 C ATOM 1657 CE2 TYR A 104 6.834 -1.795 5.486 1.00 0.00 C ATOM 1658 CZ TYR A 104 7.927 -1.039 5.117 1.00 0.00 C ATOM 1659 OH TYR A 104 8.536 -0.221 6.042 1.00 0.00 O ATOM 0 H TYR A 104 8.118 -3.950 0.538 1.00 0.00 H new ATOM 0 HA TYR A 104 6.970 -5.429 2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 104 5.869 -3.031 1.314 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.043 -3.877 2.607 1.00 0.00 H new ATOM 0 HD1 TYR A 104 8.181 -1.966 1.895 1.00 0.00 H new ATOM 0 HD2 TYR A 104 5.371 -3.208 4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 104 9.269 -0.506 3.542 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.456 -1.745 6.496 1.00 0.00 H new ATOM 0 HH TYR A 104 8.070 -0.295 6.901 1.00 0.00 H new ATOM 1669 N LEU A 105 6.779 -6.573 0.205 1.00 0.00 N ATOM 1670 CA LEU A 105 6.165 -7.458 -0.779 1.00 0.00 C ATOM 1671 C LEU A 105 5.639 -8.727 -0.117 1.00 0.00 C ATOM 1672 O LEU A 105 6.413 -9.575 0.325 1.00 0.00 O ATOM 1673 CB LEU A 105 7.175 -7.819 -1.870 1.00 0.00 C ATOM 1674 CG LEU A 105 7.218 -6.886 -3.081 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.494 -7.106 -3.879 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.994 -7.096 -3.960 1.00 0.00 C ATOM 0 H LEU A 105 7.791 -6.668 0.284 1.00 0.00 H new ATOM 0 HA LEU A 105 5.325 -6.931 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.169 -7.847 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.955 -8.827 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 105 7.211 -5.857 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.507 -6.434 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.358 -6.904 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.532 -8.138 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.042 -6.424 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.970 -8.128 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.092 -6.887 -3.384 1.00 0.00 H new ATOM 1688 N MET A 106 4.317 -8.851 -0.054 1.00 0.00 N ATOM 1689 CA MET A 106 3.688 -10.019 0.552 1.00 0.00 C ATOM 1690 C MET A 106 3.456 -11.111 -0.488 1.00 0.00 C ATOM 1691 O MET A 106 3.702 -12.289 -0.229 1.00 0.00 O ATOM 1692 CB MET A 106 2.360 -9.629 1.204 1.00 0.00 C ATOM 1693 CG MET A 106 2.501 -9.184 2.651 1.00 0.00 C ATOM 1694 SD MET A 106 1.027 -9.530 3.630 1.00 0.00 S ATOM 1695 CE MET A 106 -0.002 -8.127 3.201 1.00 0.00 C ATOM 0 H MET A 106 3.661 -8.158 -0.415 1.00 0.00 H new ATOM 0 HA MET A 106 4.360 -10.407 1.318 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.904 -8.824 0.628 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.679 -10.479 1.158 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.357 -9.687 3.100 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.709 -8.114 2.680 1.00 0.00 H new ATOM 0 HE1 MET A 106 -0.591 -7.829 4.068 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.629 -7.295 2.888 1.00 0.00 H new ATOM 0 HE3 MET A 106 -0.671 -8.402 2.386 1.00 0.00 H new ATOM 1705 N ALA A 107 2.980 -10.712 -1.663 1.00 0.00 N ATOM 1706 CA ALA A 107 2.717 -11.658 -2.741 1.00 0.00 C ATOM 1707 C ALA A 107 3.988 -11.963 -3.526 1.00 0.00 C ATOM 1708 O ALA A 107 4.844 -11.097 -3.700 1.00 0.00 O ATOM 1709 CB ALA A 107 1.639 -11.114 -3.667 1.00 0.00 C ATOM 0 H ALA A 107 2.769 -9.741 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 107 2.364 -12.589 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.452 -11.830 -4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.721 -10.954 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.971 -10.168 -4.096 1.00 0.00 H new ATOM 1715 N GLY A 108 4.104 -13.201 -3.997 1.00 0.00 N ATOM 1716 CA GLY A 108 5.274 -13.598 -4.758 1.00 0.00 C ATOM 1717 C GLY A 108 6.560 -13.432 -3.972 1.00 0.00 C ATOM 1718 O GLY A 108 6.708 -12.510 -3.170 1.00 0.00 O ATOM 0 H GLY A 108 3.409 -13.936 -3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.170 -14.639 -5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.330 -13.003 -5.670 1.00 0.00 H new ATOM 1722 N PRO A 109 7.518 -14.343 -4.199 1.00 0.00 N ATOM 1723 CA PRO A 109 8.814 -14.315 -3.515 1.00 0.00 C ATOM 1724 C PRO A 109 9.683 -13.146 -3.965 1.00 0.00 C ATOM 1725 O PRO A 109 10.468 -13.268 -4.905 1.00 0.00 O ATOM 1726 CB PRO A 109 9.457 -15.645 -3.919 1.00 0.00 C ATOM 1727 CG PRO A 109 8.817 -15.996 -5.217 1.00 0.00 C ATOM 1728 CD PRO A 109 7.410 -15.469 -5.142 1.00 0.00 C ATOM 0 HA PRO A 109 8.703 -14.188 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.537 -15.547 -4.024 1.00 0.00 H new ATOM 0 HB3 PRO A 109 9.279 -16.415 -3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.357 -15.549 -6.052 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.822 -17.074 -5.375 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.050 -15.143 -6.118 1.00 0.00 H new ATOM 0 HD3 PRO A 109 6.715 -16.228 -4.784 1.00 0.00 H new ATOM 1736 N GLY A 110 9.537 -12.011 -3.287 1.00 0.00 N ATOM 1737 CA GLY A 110 10.315 -10.835 -3.633 1.00 0.00 C ATOM 1738 C GLY A 110 10.049 -10.359 -5.047 1.00 0.00 C ATOM 1739 O GLY A 110 9.161 -10.874 -5.726 1.00 0.00 O ATOM 0 H GLY A 110 8.894 -11.885 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 110 10.084 -10.032 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.376 -11.059 -3.522 1.00 0.00 H new ATOM 1743 N SER A 111 10.819 -9.371 -5.491 1.00 0.00 N ATOM 1744 CA SER A 111 10.658 -8.820 -6.832 1.00 0.00 C ATOM 1745 C SER A 111 11.972 -8.883 -7.606 1.00 0.00 C ATOM 1746 O SER A 111 12.949 -8.227 -7.245 1.00 0.00 O ATOM 1747 CB SER A 111 10.166 -7.374 -6.757 1.00 0.00 C ATOM 1748 OG SER A 111 11.145 -6.531 -6.176 1.00 0.00 O ATOM 0 H SER A 111 11.560 -8.936 -4.942 1.00 0.00 H new ATOM 0 HA SER A 111 9.917 -9.421 -7.358 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.922 -7.017 -7.758 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.248 -7.329 -6.170 1.00 0.00 H new ATOM 0 HG SER A 111 12.027 -6.951 -6.254 1.00 0.00 H new ATOM 1754 N SER A 112 11.986 -9.676 -8.673 1.00 0.00 N ATOM 1755 CA SER A 112 13.179 -9.828 -9.496 1.00 0.00 C ATOM 1756 C SER A 112 12.979 -9.187 -10.866 1.00 0.00 C ATOM 1757 O SER A 112 12.433 -9.807 -11.780 1.00 0.00 O ATOM 1758 CB SER A 112 13.527 -11.309 -9.659 1.00 0.00 C ATOM 1759 OG SER A 112 14.874 -11.474 -10.068 1.00 0.00 O ATOM 0 H SER A 112 11.184 -10.223 -8.987 1.00 0.00 H new ATOM 0 HA SER A 112 14.004 -9.322 -8.994 1.00 0.00 H new ATOM 0 HB2 SER A 112 13.364 -11.830 -8.716 1.00 0.00 H new ATOM 0 HB3 SER A 112 12.862 -11.763 -10.394 1.00 0.00 H new ATOM 0 HG SER A 112 15.072 -12.429 -10.163 1.00 0.00 H new ATOM 1765 N SER A 113 13.425 -7.943 -11.002 1.00 0.00 N ATOM 1766 CA SER A 113 13.292 -7.215 -12.258 1.00 0.00 C ATOM 1767 C SER A 113 11.972 -7.554 -12.945 1.00 0.00 C ATOM 1768 O SER A 113 11.943 -7.876 -14.132 1.00 0.00 O ATOM 1769 CB SER A 113 14.462 -7.542 -13.188 1.00 0.00 C ATOM 1770 OG SER A 113 14.440 -8.905 -13.575 1.00 0.00 O ATOM 0 H SER A 113 13.882 -7.417 -10.257 1.00 0.00 H new ATOM 0 HA SER A 113 13.302 -6.148 -12.034 1.00 0.00 H new ATOM 0 HB2 SER A 113 14.415 -6.908 -14.074 1.00 0.00 H new ATOM 0 HB3 SER A 113 15.403 -7.318 -12.686 1.00 0.00 H new ATOM 0 HG SER A 113 13.604 -9.097 -14.049 1.00 0.00 H new ATOM 1776 N GLU A 114 10.882 -7.479 -12.188 1.00 0.00 N ATOM 1777 CA GLU A 114 9.559 -7.778 -12.723 1.00 0.00 C ATOM 1778 C GLU A 114 8.691 -6.524 -12.761 1.00 0.00 C ATOM 1779 O GLU A 114 7.862 -6.305 -11.878 1.00 0.00 O ATOM 1780 CB GLU A 114 8.877 -8.859 -11.882 1.00 0.00 C ATOM 1781 CG GLU A 114 8.771 -8.507 -10.408 1.00 0.00 C ATOM 1782 CD GLU A 114 8.541 -9.723 -9.532 1.00 0.00 C ATOM 1783 OE1 GLU A 114 9.044 -10.811 -9.885 1.00 0.00 O ATOM 1784 OE2 GLU A 114 7.858 -9.588 -8.496 1.00 0.00 O ATOM 0 H GLU A 114 10.889 -7.214 -11.203 1.00 0.00 H new ATOM 0 HA GLU A 114 9.682 -8.144 -13.742 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.877 -9.038 -12.277 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.432 -9.792 -11.985 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.685 -8.004 -10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.953 -7.801 -10.265 1.00 0.00 H new ATOM 1791 N GLU A 115 8.888 -5.705 -13.789 1.00 0.00 N ATOM 1792 CA GLU A 115 8.124 -4.472 -13.940 1.00 0.00 C ATOM 1793 C GLU A 115 6.970 -4.664 -14.920 1.00 0.00 C ATOM 1794 O GLU A 115 6.863 -5.702 -15.574 1.00 0.00 O ATOM 1795 CB GLU A 115 9.032 -3.339 -14.421 1.00 0.00 C ATOM 1796 CG GLU A 115 9.971 -2.813 -13.348 1.00 0.00 C ATOM 1797 CD GLU A 115 9.248 -2.008 -12.285 1.00 0.00 C ATOM 1798 OE1 GLU A 115 8.767 -0.901 -12.605 1.00 0.00 O ATOM 1799 OE2 GLU A 115 9.165 -2.484 -11.133 1.00 0.00 O ATOM 0 H GLU A 115 9.570 -5.873 -14.529 1.00 0.00 H new ATOM 0 HA GLU A 115 7.711 -4.209 -12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.622 -3.692 -15.267 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.413 -2.518 -14.784 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.485 -3.651 -12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.736 -2.191 -13.813 1.00 0.00 H new ATOM 1806 N ASP A 116 6.109 -3.657 -15.015 1.00 0.00 N ATOM 1807 CA ASP A 116 4.963 -3.714 -15.915 1.00 0.00 C ATOM 1808 C ASP A 116 5.167 -2.794 -17.115 1.00 0.00 C ATOM 1809 O ASP A 116 5.792 -1.740 -17.000 1.00 0.00 O ATOM 1810 CB ASP A 116 3.684 -3.326 -15.171 1.00 0.00 C ATOM 1811 CG ASP A 116 2.443 -3.492 -16.027 1.00 0.00 C ATOM 1812 OD1 ASP A 116 2.071 -2.525 -16.724 1.00 0.00 O ATOM 1813 OD2 ASP A 116 1.845 -4.588 -15.999 1.00 0.00 O ATOM 0 H ASP A 116 6.183 -2.792 -14.480 1.00 0.00 H new ATOM 0 HA ASP A 116 4.868 -4.738 -16.277 1.00 0.00 H new ATOM 0 HB2 ASP A 116 3.588 -3.939 -14.275 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.759 -2.290 -14.842 1.00 0.00 H new ATOM 1818 N GLU A 117 4.638 -3.201 -18.264 1.00 0.00 N ATOM 1819 CA GLU A 117 4.765 -2.414 -19.484 1.00 0.00 C ATOM 1820 C GLU A 117 4.307 -0.976 -19.255 1.00 0.00 C ATOM 1821 O GLU A 117 4.976 -0.028 -19.663 1.00 0.00 O ATOM 1822 CB GLU A 117 3.948 -3.046 -20.613 1.00 0.00 C ATOM 1823 CG GLU A 117 4.702 -4.118 -21.383 1.00 0.00 C ATOM 1824 CD GLU A 117 5.480 -3.555 -22.556 1.00 0.00 C ATOM 1825 OE1 GLU A 117 5.112 -2.467 -23.046 1.00 0.00 O ATOM 1826 OE2 GLU A 117 6.458 -4.203 -22.984 1.00 0.00 O ATOM 0 H GLU A 117 4.117 -4.071 -18.375 1.00 0.00 H new ATOM 0 HA GLU A 117 5.817 -2.401 -19.769 1.00 0.00 H new ATOM 0 HB2 GLU A 117 3.041 -3.482 -20.194 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.636 -2.265 -21.306 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.389 -4.630 -20.708 1.00 0.00 H new ATOM 0 HG3 GLU A 117 3.995 -4.865 -21.745 1.00 0.00 H new ATOM 1833 N ALA A 118 3.161 -0.824 -18.598 1.00 0.00 N ATOM 1834 CA ALA A 118 2.614 0.496 -18.313 1.00 0.00 C ATOM 1835 C ALA A 118 2.730 0.829 -16.829 1.00 0.00 C ATOM 1836 O ALA A 118 1.797 1.359 -16.227 1.00 0.00 O ATOM 1837 CB ALA A 118 1.162 0.574 -18.760 1.00 0.00 C ATOM 0 H ALA A 118 2.594 -1.599 -18.254 1.00 0.00 H new ATOM 0 HA ALA A 118 3.195 1.231 -18.871 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.767 1.566 -18.541 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.101 0.388 -19.832 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.577 -0.176 -18.228 1.00 0.00 H new ATOM 1843 N SER A 119 3.883 0.515 -16.246 1.00 0.00 N ATOM 1844 CA SER A 119 4.119 0.777 -14.831 1.00 0.00 C ATOM 1845 C SER A 119 3.743 2.212 -14.474 1.00 0.00 C ATOM 1846 O SER A 119 3.187 2.440 -13.400 1.00 0.00 O ATOM 1847 CB SER A 119 5.587 0.522 -14.482 1.00 0.00 C ATOM 1848 OG SER A 119 5.793 -0.828 -14.102 1.00 0.00 O ATOM 0 H SER A 119 4.667 0.079 -16.731 1.00 0.00 H new ATOM 0 HA SER A 119 3.491 0.100 -14.252 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.215 0.762 -15.340 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.891 1.182 -13.670 1.00 0.00 H new ATOM 0 HG SER A 119 6.646 -0.907 -13.626 1.00 0.00 H new ATOM 1854 N HIS A 120 4.050 3.137 -15.371 1.00 0.00 N ATOM 1855 CA HIS A 120 3.739 4.537 -15.140 1.00 0.00 C ATOM 1856 C HIS A 120 2.384 4.872 -15.765 1.00 0.00 C ATOM 1857 O HIS A 120 2.227 4.941 -16.984 1.00 0.00 O ATOM 1858 CB HIS A 120 4.867 5.436 -15.651 1.00 0.00 C ATOM 1859 CG HIS A 120 5.080 5.364 -17.144 1.00 0.00 C ATOM 1860 ND1 HIS A 120 6.146 4.695 -17.718 1.00 0.00 N ATOM 1861 CD2 HIS A 120 4.352 5.884 -18.174 1.00 0.00 C ATOM 1862 CE1 HIS A 120 6.055 4.813 -19.035 1.00 0.00 C ATOM 1863 NE2 HIS A 120 4.943 5.551 -19.315 1.00 0.00 N ATOM 0 H HIS A 120 4.511 2.944 -16.260 1.00 0.00 H new ATOM 0 HA HIS A 120 3.662 4.724 -14.069 1.00 0.00 H new ATOM 0 HB2 HIS A 120 4.649 6.468 -15.375 1.00 0.00 H new ATOM 0 HB3 HIS A 120 5.794 5.160 -15.148 1.00 0.00 H new ATOM 0 HD2 HIS A 120 3.448 6.467 -18.077 1.00 0.00 H new ATOM 0 HE1 HIS A 120 6.741 4.398 -19.759 1.00 0.00 H new ATOM 0 HE2 HIS A 120 4.619 5.805 -20.248 1.00 0.00 H new ATOM 1871 N SER A 121 1.400 5.081 -14.896 1.00 0.00 N ATOM 1872 CA SER A 121 0.048 5.407 -15.335 1.00 0.00 C ATOM 1873 C SER A 121 0.019 6.754 -16.052 1.00 0.00 C ATOM 1874 O SER A 121 -0.435 6.854 -17.190 1.00 0.00 O ATOM 1875 CB SER A 121 -0.907 5.432 -14.140 1.00 0.00 C ATOM 1876 OG SER A 121 -1.031 4.145 -13.559 1.00 0.00 O ATOM 0 H SER A 121 1.514 5.030 -13.884 1.00 0.00 H new ATOM 0 HA SER A 121 -0.276 4.636 -16.034 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.542 6.138 -13.394 1.00 0.00 H new ATOM 0 HB3 SER A 121 -1.887 5.786 -14.461 1.00 0.00 H new ATOM 0 HG SER A 121 -1.645 4.188 -12.797 1.00 0.00 H new ATOM 1882 N GLY A 122 0.509 7.788 -15.374 1.00 0.00 N ATOM 1883 CA GLY A 122 0.530 9.115 -15.961 1.00 0.00 C ATOM 1884 C GLY A 122 0.103 10.189 -14.980 1.00 0.00 C ATOM 1885 O GLY A 122 0.868 11.104 -14.678 1.00 0.00 O ATOM 0 H GLY A 122 0.891 7.730 -14.430 1.00 0.00 H new ATOM 0 HA2 GLY A 122 1.535 9.334 -16.320 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.130 9.136 -16.828 1.00 0.00 H new ATOM 1889 N GLY A 123 -1.125 10.079 -14.482 1.00 0.00 N ATOM 1890 CA GLY A 123 -1.632 11.056 -13.536 1.00 0.00 C ATOM 1891 C GLY A 123 -1.241 12.474 -13.902 1.00 0.00 C ATOM 1892 O GLY A 123 -1.454 12.912 -15.032 1.00 0.00 O ATOM 0 H GLY A 123 -1.778 9.331 -14.717 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -2.719 10.982 -13.490 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.254 10.824 -12.540 1.00 0.00 H new ATOM 1896 N SER A 124 -0.669 13.194 -12.942 1.00 0.00 N ATOM 1897 CA SER A 124 -0.252 14.574 -13.167 1.00 0.00 C ATOM 1898 C SER A 124 0.600 15.080 -12.007 1.00 0.00 C ATOM 1899 O SER A 124 0.784 14.386 -11.008 1.00 0.00 O ATOM 1900 CB SER A 124 -1.474 15.475 -13.348 1.00 0.00 C ATOM 1901 OG SER A 124 -1.151 16.626 -14.110 1.00 0.00 O ATOM 0 H SER A 124 -0.484 12.845 -12.002 1.00 0.00 H new ATOM 0 HA SER A 124 0.349 14.602 -14.076 1.00 0.00 H new ATOM 0 HB2 SER A 124 -2.270 14.919 -13.843 1.00 0.00 H new ATOM 0 HB3 SER A 124 -1.855 15.776 -12.372 1.00 0.00 H new ATOM 0 HG SER A 124 -1.949 17.185 -14.213 1.00 0.00 H new ATOM 1907 N GLY A 125 1.119 16.296 -12.148 1.00 0.00 N ATOM 1908 CA GLY A 125 1.945 16.876 -11.106 1.00 0.00 C ATOM 1909 C GLY A 125 1.212 17.934 -10.306 1.00 0.00 C ATOM 1910 O GLY A 125 0.508 17.637 -9.341 1.00 0.00 O ATOM 0 H GLY A 125 0.982 16.890 -12.966 1.00 0.00 H new ATOM 0 HA2 GLY A 125 2.284 16.087 -10.434 1.00 0.00 H new ATOM 0 HA3 GLY A 125 2.835 17.317 -11.555 1.00 0.00 H new ATOM 1914 N PRO A 126 1.376 19.204 -10.707 1.00 0.00 N ATOM 1915 CA PRO A 126 0.733 20.336 -10.034 1.00 0.00 C ATOM 1916 C PRO A 126 -0.776 20.359 -10.251 1.00 0.00 C ATOM 1917 O PRO A 126 -1.262 20.021 -11.331 1.00 0.00 O ATOM 1918 CB PRO A 126 1.387 21.555 -10.688 1.00 0.00 C ATOM 1919 CG PRO A 126 1.826 21.076 -12.029 1.00 0.00 C ATOM 1920 CD PRO A 126 2.202 19.631 -11.849 1.00 0.00 C ATOM 0 HA PRO A 126 0.863 20.295 -8.953 1.00 0.00 H new ATOM 0 HB2 PRO A 126 0.683 22.383 -10.774 1.00 0.00 H new ATOM 0 HB3 PRO A 126 2.232 21.914 -10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 126 1.027 21.183 -12.763 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.673 21.657 -12.393 1.00 0.00 H new ATOM 0 HD2 PRO A 126 1.986 19.045 -12.742 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.266 19.515 -11.641 1.00 0.00 H new ATOM 1928 N SER A 127 -1.512 20.760 -9.220 1.00 0.00 N ATOM 1929 CA SER A 127 -2.967 20.824 -9.298 1.00 0.00 C ATOM 1930 C SER A 127 -3.493 22.079 -8.609 1.00 0.00 C ATOM 1931 O SER A 127 -2.757 22.767 -7.901 1.00 0.00 O ATOM 1932 CB SER A 127 -3.588 19.580 -8.659 1.00 0.00 C ATOM 1933 OG SER A 127 -3.497 19.632 -7.246 1.00 0.00 O ATOM 0 H SER A 127 -1.125 21.046 -8.321 1.00 0.00 H new ATOM 0 HA SER A 127 -3.249 20.863 -10.350 1.00 0.00 H new ATOM 0 HB2 SER A 127 -4.634 19.498 -8.956 1.00 0.00 H new ATOM 0 HB3 SER A 127 -3.081 18.687 -9.026 1.00 0.00 H new ATOM 0 HG SER A 127 -3.902 18.827 -6.862 1.00 0.00 H new ATOM 1939 N SER A 128 -4.772 22.371 -8.822 1.00 0.00 N ATOM 1940 CA SER A 128 -5.398 23.546 -8.226 1.00 0.00 C ATOM 1941 C SER A 128 -6.126 23.178 -6.937 1.00 0.00 C ATOM 1942 O SER A 128 -7.236 23.643 -6.684 1.00 0.00 O ATOM 1943 CB SER A 128 -6.376 24.185 -9.213 1.00 0.00 C ATOM 1944 OG SER A 128 -7.531 23.382 -9.379 1.00 0.00 O ATOM 0 H SER A 128 -5.395 21.810 -9.403 1.00 0.00 H new ATOM 0 HA SER A 128 -4.613 24.264 -7.988 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.665 25.173 -8.855 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.886 24.326 -10.176 1.00 0.00 H new ATOM 0 HG SER A 128 -8.141 23.813 -10.013 1.00 0.00 H new ATOM 1950 N GLY A 129 -5.491 22.338 -6.125 1.00 0.00 N ATOM 1951 CA GLY A 129 -6.092 21.921 -4.871 1.00 0.00 C ATOM 1952 C GLY A 129 -5.933 22.959 -3.778 1.00 0.00 C ATOM 1953 O GLY A 129 -6.437 22.784 -2.669 1.00 0.00 O ATOM 0 H GLY A 129 -4.571 21.939 -6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.152 21.723 -5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -5.637 20.985 -4.547 1.00 0.00 H new TER 1957 GLY A 129