USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 467 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 116 LYS NZ :NH3+ 155:sc= -0.731 (180deg=-1.47) USER MOD Set 1.2: A 120 GLN : amide:sc= 0.00366 K(o=-0.73,f=-3.5) USER MOD Set 2.1: A 92 SER OG : rot 160:sc= -0.0446 USER MOD Set 2.2: A 96 LYS NZ :NH3+ 154:sc= -0.13 (180deg=-0.653) USER MOD Set 3.1: A 67 CYS SG : rot 123:sc= 0.581 USER MOD Set 3.2: A 76 CYS SG : rot -50:sc= 1.1 USER MOD Set 3.3: A 112 CYS SG : rot -154:sc= 1.25 USER MOD Set 3.4: A 115 HIS : no HD1:sc= -0.0693 K(o=2.9,f=2.1) USER MOD Single : A 65 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.3) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0125 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 128:sc= -0.163 (180deg=-0.644) USER MOD Single : A 90 GLN : amide:sc= -0.832 K(o=-0.83,f=-0.19) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= -0.352 (180deg=-1.04) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.787 X(o=-0.79,f=-0.43) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 152:sc= -0.451 (180deg=-1.39!) USER MOD Single : A 104 LYS NZ :NH3+ 148:sc= -0.28 (180deg=-1.21!) USER MOD Single : A 105 SER OG : rot -75:sc= 0.0797 USER MOD Single : A 108 HIS : no HD1:sc= -0.0893 K(o=-0.089,f=-1.9) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -2.02 K(o=-2,f=-0.38) USER MOD Single : A 121 SER OG : rot -62:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 65 -11.847 -5.004 7.469 1.00 0.00 N ATOM 46 CA GLN A 65 -11.568 -5.002 6.040 1.00 0.00 C ATOM 47 C GLN A 65 -10.219 -5.645 5.755 1.00 0.00 C ATOM 48 O GLN A 65 -9.388 -5.793 6.650 1.00 0.00 O ATOM 49 CB GLN A 65 -11.585 -3.572 5.499 1.00 0.00 C ATOM 50 CG GLN A 65 -12.885 -2.838 5.775 1.00 0.00 C ATOM 51 CD GLN A 65 -14.098 -3.617 5.310 1.00 0.00 C ATOM 52 OE1 GLN A 65 -14.026 -4.386 4.352 1.00 0.00 O ATOM 53 NE2 GLN A 65 -15.222 -3.422 5.989 1.00 0.00 N ATOM 0 HA GLN A 65 -12.344 -5.582 5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.760 -3.014 5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.412 -3.596 4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.969 -2.644 6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.865 -1.869 5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.236 -2.775 6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.072 -3.920 5.723 1.00 0.00 H new ATOM 62 N LEU A 66 -10.005 -6.026 4.503 1.00 0.00 N ATOM 63 CA LEU A 66 -8.753 -6.647 4.110 1.00 0.00 C ATOM 64 C LEU A 66 -8.021 -5.801 3.077 1.00 0.00 C ATOM 65 O LEU A 66 -8.637 -5.057 2.316 1.00 0.00 O ATOM 66 CB LEU A 66 -8.995 -8.053 3.567 1.00 0.00 C ATOM 67 CG LEU A 66 -8.194 -9.140 4.281 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.107 -10.040 5.093 1.00 0.00 C ATOM 69 CD2 LEU A 66 -7.389 -9.950 3.289 1.00 0.00 C ATOM 0 H LEU A 66 -10.681 -5.916 3.747 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.125 -6.719 4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.057 -8.285 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.746 -8.070 2.506 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.501 -8.654 4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.513 -10.806 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.634 -9.446 5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.831 -10.516 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.826 -10.719 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.062 -10.422 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.698 -9.294 2.759 1.00 0.00 H new ATOM 81 N CYS A 67 -6.697 -5.924 3.066 1.00 0.00 N ATOM 82 CA CYS A 67 -5.846 -5.181 2.138 1.00 0.00 C ATOM 83 C CYS A 67 -6.456 -5.130 0.735 1.00 0.00 C ATOM 84 O CYS A 67 -7.096 -6.086 0.296 1.00 0.00 O ATOM 85 CB CYS A 67 -4.463 -5.832 2.093 1.00 0.00 C ATOM 86 SG CYS A 67 -3.284 -5.008 1.002 1.00 0.00 S ATOM 0 H CYS A 67 -6.184 -6.539 3.697 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.759 -4.154 2.493 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.052 -5.853 3.102 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.573 -6.868 1.772 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.235 -4.655 1.684 1.00 0.00 H new ATOM 91 N CYS A 68 -6.257 -4.011 0.037 1.00 0.00 N ATOM 92 CA CYS A 68 -6.800 -3.843 -1.312 1.00 0.00 C ATOM 93 C CYS A 68 -5.699 -3.895 -2.370 1.00 0.00 C ATOM 94 O CYS A 68 -5.814 -3.286 -3.433 1.00 0.00 O ATOM 95 CB CYS A 68 -7.566 -2.523 -1.425 1.00 0.00 C ATOM 96 SG CYS A 68 -6.521 -1.052 -1.359 1.00 0.00 S ATOM 0 H CYS A 68 -5.726 -3.211 0.381 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.486 -4.671 -1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.122 -2.518 -2.362 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.298 -2.471 -0.619 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.261 0.011 -1.465 1.00 0.00 H new ATOM 102 N LEU A 69 -4.636 -4.626 -2.068 1.00 0.00 N ATOM 103 CA LEU A 69 -3.519 -4.788 -2.989 1.00 0.00 C ATOM 104 C LEU A 69 -3.175 -6.264 -3.122 1.00 0.00 C ATOM 105 O LEU A 69 -3.553 -7.074 -2.276 1.00 0.00 O ATOM 106 CB LEU A 69 -2.292 -4.021 -2.496 1.00 0.00 C ATOM 107 CG LEU A 69 -2.535 -2.550 -2.168 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.332 -1.964 -1.442 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.828 -1.761 -3.435 1.00 0.00 C ATOM 0 H LEU A 69 -4.523 -5.121 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.812 -4.388 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.907 -4.517 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.514 -4.084 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.403 -2.481 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.520 -0.915 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.164 -2.512 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.449 -2.045 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.998 -0.715 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.979 -1.836 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.717 -2.166 -3.919 1.00 0.00 H new ATOM 121 N ARG A 70 -2.459 -6.613 -4.182 1.00 0.00 N ATOM 122 CA ARG A 70 -2.070 -7.998 -4.402 1.00 0.00 C ATOM 123 C ARG A 70 -0.570 -8.109 -4.630 1.00 0.00 C ATOM 124 O ARG A 70 -0.038 -7.554 -5.590 1.00 0.00 O ATOM 125 CB ARG A 70 -2.807 -8.587 -5.604 1.00 0.00 C ATOM 126 CG ARG A 70 -4.303 -8.313 -5.619 1.00 0.00 C ATOM 127 CD ARG A 70 -5.049 -9.311 -6.500 1.00 0.00 C ATOM 128 NE ARG A 70 -4.220 -9.835 -7.582 1.00 0.00 N ATOM 129 CZ ARG A 70 -4.428 -11.012 -8.164 1.00 0.00 C ATOM 130 NH1 ARG A 70 -5.471 -11.753 -7.816 1.00 0.00 N ATOM 131 NH2 ARG A 70 -3.598 -11.443 -9.103 1.00 0.00 N ATOM 0 H ARG A 70 -2.138 -5.961 -4.898 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.339 -8.560 -3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.367 -8.186 -6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.647 -9.665 -5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.693 -8.362 -4.602 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.484 -7.301 -5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.403 -10.139 -5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.930 -8.829 -6.923 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.439 -9.267 -7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.117 -11.420 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.628 -12.656 -8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.799 -10.872 -9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.758 -12.346 -9.549 1.00 0.00 H new ATOM 145 N GLU A 71 0.111 -8.826 -3.745 1.00 0.00 N ATOM 146 CA GLU A 71 1.548 -9.013 -3.877 1.00 0.00 C ATOM 147 C GLU A 71 1.839 -10.321 -4.604 1.00 0.00 C ATOM 148 O GLU A 71 1.419 -11.393 -4.169 1.00 0.00 O ATOM 149 CB GLU A 71 2.228 -8.997 -2.506 1.00 0.00 C ATOM 150 CG GLU A 71 3.745 -8.998 -2.589 1.00 0.00 C ATOM 151 CD GLU A 71 4.402 -8.626 -1.274 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.937 -9.108 -0.220 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.380 -7.849 -1.298 1.00 0.00 O ATOM 0 H GLU A 71 -0.306 -9.284 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 71 1.953 -8.187 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.901 -8.114 -1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.901 -9.867 -1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.088 -9.986 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.063 -8.297 -3.361 1.00 0.00 H new ATOM 160 N ASP A 72 2.554 -10.217 -5.720 1.00 0.00 N ATOM 161 CA ASP A 72 2.895 -11.381 -6.528 1.00 0.00 C ATOM 162 C ASP A 72 1.641 -12.165 -6.902 1.00 0.00 C ATOM 163 O ASP A 72 1.682 -13.385 -7.062 1.00 0.00 O ATOM 164 CB ASP A 72 3.885 -12.285 -5.792 1.00 0.00 C ATOM 165 CG ASP A 72 5.130 -12.556 -6.616 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.013 -12.640 -7.858 1.00 0.00 O ATOM 167 OD2 ASP A 72 6.222 -12.678 -6.022 1.00 0.00 O ATOM 0 H ASP A 72 2.910 -9.334 -6.086 1.00 0.00 H new ATOM 0 HA ASP A 72 3.368 -11.026 -7.444 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.169 -11.819 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.400 -13.230 -5.547 1.00 0.00 H new ATOM 172 N GLY A 73 0.527 -11.451 -7.040 1.00 0.00 N ATOM 173 CA GLY A 73 -0.725 -12.090 -7.406 1.00 0.00 C ATOM 174 C GLY A 73 -1.558 -12.508 -6.206 1.00 0.00 C ATOM 175 O GLY A 73 -2.731 -12.851 -6.352 1.00 0.00 O ATOM 0 H GLY A 73 0.469 -10.442 -6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.307 -11.406 -8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.512 -12.968 -8.016 1.00 0.00 H new ATOM 179 N GLU A 74 -0.959 -12.480 -5.019 1.00 0.00 N ATOM 180 CA GLU A 74 -1.664 -12.870 -3.799 1.00 0.00 C ATOM 181 C GLU A 74 -2.321 -11.669 -3.127 1.00 0.00 C ATOM 182 O GLU A 74 -1.730 -10.592 -3.046 1.00 0.00 O ATOM 183 CB GLU A 74 -0.704 -13.559 -2.832 1.00 0.00 C ATOM 184 CG GLU A 74 -0.600 -15.058 -3.056 1.00 0.00 C ATOM 185 CD GLU A 74 -1.921 -15.766 -2.829 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.233 -16.076 -1.661 1.00 0.00 O ATOM 187 OE2 GLU A 74 -2.645 -16.007 -3.818 1.00 0.00 O ATOM 0 H GLU A 74 0.009 -12.193 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.453 -13.569 -4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.286 -13.114 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.033 -13.373 -1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.258 -15.248 -4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.152 -15.472 -2.384 1.00 0.00 H new ATOM 194 N ARG A 75 -3.541 -11.868 -2.630 1.00 0.00 N ATOM 195 CA ARG A 75 -4.288 -10.796 -1.978 1.00 0.00 C ATOM 196 C ARG A 75 -3.751 -10.511 -0.576 1.00 0.00 C ATOM 197 O ARG A 75 -4.490 -10.589 0.402 1.00 0.00 O ATOM 198 CB ARG A 75 -5.770 -11.178 -1.888 1.00 0.00 C ATOM 199 CG ARG A 75 -6.725 -10.031 -2.179 1.00 0.00 C ATOM 200 CD ARG A 75 -6.961 -9.874 -3.670 1.00 0.00 C ATOM 201 NE ARG A 75 -7.686 -11.016 -4.236 1.00 0.00 N ATOM 202 CZ ARG A 75 -9.008 -11.055 -4.418 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.776 -10.027 -4.072 1.00 0.00 N ATOM 204 NH2 ARG A 75 -9.570 -12.137 -4.944 1.00 0.00 N ATOM 0 H ARG A 75 -4.032 -12.761 -2.667 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.171 -9.894 -2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.968 -11.989 -2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.975 -11.563 -0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.675 -10.209 -1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.318 -9.105 -1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.525 -8.960 -3.853 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.003 -9.765 -4.179 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.144 -11.836 -4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.357 -9.193 -3.661 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.785 -10.072 -4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.992 -12.935 -5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.580 -12.170 -5.084 1.00 0.00 H new ATOM 218 N CYS A 76 -2.476 -10.133 -0.508 1.00 0.00 N ATOM 219 CA CYS A 76 -1.802 -9.804 0.752 1.00 0.00 C ATOM 220 C CYS A 76 -2.040 -10.845 1.860 1.00 0.00 C ATOM 221 O CYS A 76 -1.172 -11.674 2.132 1.00 0.00 O ATOM 222 CB CYS A 76 -2.223 -8.410 1.222 1.00 0.00 C ATOM 223 SG CYS A 76 -1.091 -7.665 2.418 1.00 0.00 S ATOM 0 H CYS A 76 -1.876 -10.045 -1.328 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.731 -9.816 0.550 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.303 -7.754 0.355 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.216 -8.472 1.667 1.00 0.00 H new ATOM 0 HG CYS A 76 -0.854 -8.511 3.376 1.00 0.00 H new ATOM 228 N GLY A 77 -3.205 -10.797 2.501 1.00 0.00 N ATOM 229 CA GLY A 77 -3.497 -11.729 3.575 1.00 0.00 C ATOM 230 C GLY A 77 -3.621 -11.025 4.912 1.00 0.00 C ATOM 231 O GLY A 77 -4.262 -11.529 5.835 1.00 0.00 O ATOM 0 H GLY A 77 -3.950 -10.131 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.424 -12.258 3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.708 -12.479 3.631 1.00 0.00 H new ATOM 235 N ARG A 78 -2.992 -9.858 5.014 1.00 0.00 N ATOM 236 CA ARG A 78 -3.038 -9.063 6.232 1.00 0.00 C ATOM 237 C ARG A 78 -4.241 -8.127 6.197 1.00 0.00 C ATOM 238 O ARG A 78 -4.655 -7.678 5.129 1.00 0.00 O ATOM 239 CB ARG A 78 -1.744 -8.263 6.394 1.00 0.00 C ATOM 240 CG ARG A 78 -0.551 -9.116 6.795 1.00 0.00 C ATOM 241 CD ARG A 78 0.760 -8.378 6.585 1.00 0.00 C ATOM 242 NE ARG A 78 1.851 -8.964 7.367 1.00 0.00 N ATOM 243 CZ ARG A 78 2.319 -8.465 8.515 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.783 -7.376 9.059 1.00 0.00 N ATOM 245 NH2 ARG A 78 3.325 -9.069 9.130 1.00 0.00 N ATOM 0 H ARG A 78 -2.442 -9.442 4.262 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.138 -9.732 7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.519 -7.756 5.455 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.896 -7.489 7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.644 -9.403 7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.549 -10.037 6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.021 -8.397 5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.636 -7.332 6.864 1.00 0.00 H new ATOM 0 HE ARG A 78 2.285 -9.815 7.009 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.002 -6.908 8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.153 -7.009 9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.738 -9.910 8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.687 -8.693 10.006 1.00 0.00 H new ATOM 259 N ALA A 79 -4.799 -7.834 7.361 1.00 0.00 N ATOM 260 CA ALA A 79 -5.966 -6.970 7.440 1.00 0.00 C ATOM 261 C ALA A 79 -5.622 -5.516 7.129 1.00 0.00 C ATOM 262 O ALA A 79 -4.469 -5.099 7.241 1.00 0.00 O ATOM 263 CB ALA A 79 -6.611 -7.092 8.807 1.00 0.00 C ATOM 0 H ALA A 79 -4.464 -8.180 8.260 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.677 -7.298 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.484 -6.441 8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.918 -8.125 8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.895 -6.798 9.575 1.00 0.00 H new ATOM 269 N ALA A 80 -6.639 -4.755 6.731 1.00 0.00 N ATOM 270 CA ALA A 80 -6.464 -3.346 6.396 1.00 0.00 C ATOM 271 C ALA A 80 -5.943 -2.561 7.592 1.00 0.00 C ATOM 272 O ALA A 80 -6.145 -2.955 8.741 1.00 0.00 O ATOM 273 CB ALA A 80 -7.776 -2.755 5.903 1.00 0.00 C ATOM 0 H ALA A 80 -7.596 -5.093 6.633 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.725 -3.275 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.631 -1.703 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.107 -3.294 5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.531 -2.844 6.684 1.00 0.00 H new ATOM 279 N GLY A 81 -5.280 -1.443 7.317 1.00 0.00 N ATOM 280 CA GLY A 81 -4.728 -0.633 8.385 1.00 0.00 C ATOM 281 C GLY A 81 -5.454 0.684 8.584 1.00 0.00 C ATOM 282 O GLY A 81 -6.622 0.707 8.973 1.00 0.00 O ATOM 0 H GLY A 81 -5.116 -1.085 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.761 -1.201 9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.678 -0.431 8.172 1.00 0.00 H new ATOM 286 N ASN A 82 -4.756 1.783 8.316 1.00 0.00 N ATOM 287 CA ASN A 82 -5.325 3.116 8.496 1.00 0.00 C ATOM 288 C ASN A 82 -5.066 4.030 7.294 1.00 0.00 C ATOM 289 O ASN A 82 -5.891 4.884 6.969 1.00 0.00 O ATOM 290 CB ASN A 82 -4.733 3.746 9.759 1.00 0.00 C ATOM 291 CG ASN A 82 -5.535 4.931 10.255 1.00 0.00 C ATOM 292 OD1 ASN A 82 -5.325 6.062 9.821 1.00 0.00 O ATOM 293 ND2 ASN A 82 -6.455 4.675 11.177 1.00 0.00 N ATOM 0 H ASN A 82 -3.795 1.778 7.973 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.405 3.007 8.590 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.682 2.993 10.545 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.711 4.065 9.556 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.023 5.433 11.555 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.594 3.720 11.507 1.00 0.00 H new ATOM 300 N ALA A 83 -3.917 3.859 6.645 1.00 0.00 N ATOM 301 CA ALA A 83 -3.556 4.682 5.495 1.00 0.00 C ATOM 302 C ALA A 83 -4.533 4.508 4.335 1.00 0.00 C ATOM 303 O ALA A 83 -5.453 3.693 4.397 1.00 0.00 O ATOM 304 CB ALA A 83 -2.143 4.356 5.040 1.00 0.00 C ATOM 0 H ALA A 83 -3.220 3.158 6.896 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.605 5.724 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.885 4.976 4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.444 4.553 5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.085 3.305 4.759 1.00 0.00 H new ATOM 310 N SER A 84 -4.321 5.290 3.281 1.00 0.00 N ATOM 311 CA SER A 84 -5.166 5.231 2.095 1.00 0.00 C ATOM 312 C SER A 84 -4.312 5.115 0.839 1.00 0.00 C ATOM 313 O SER A 84 -3.117 5.410 0.860 1.00 0.00 O ATOM 314 CB SER A 84 -6.044 6.478 1.998 1.00 0.00 C ATOM 315 OG SER A 84 -5.355 7.537 1.354 1.00 0.00 O ATOM 0 H SER A 84 -3.567 5.975 3.225 1.00 0.00 H new ATOM 0 HA SER A 84 -5.804 4.351 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.955 6.244 1.447 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.348 6.792 2.997 1.00 0.00 H new ATOM 0 HG SER A 84 -5.938 8.323 1.303 1.00 0.00 H new ATOM 321 N PHE A 85 -4.929 4.682 -0.251 1.00 0.00 N ATOM 322 CA PHE A 85 -4.226 4.539 -1.519 1.00 0.00 C ATOM 323 C PHE A 85 -4.340 5.824 -2.329 1.00 0.00 C ATOM 324 O PHE A 85 -5.409 6.151 -2.844 1.00 0.00 O ATOM 325 CB PHE A 85 -4.800 3.365 -2.307 1.00 0.00 C ATOM 326 CG PHE A 85 -4.023 3.023 -3.546 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.821 2.340 -3.460 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.509 3.363 -4.797 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.120 2.000 -4.598 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.810 3.031 -5.940 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.616 2.345 -5.840 1.00 0.00 C ATOM 0 H PHE A 85 -5.915 4.423 -0.283 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.172 4.344 -1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.836 2.489 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.828 3.596 -2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.428 2.071 -2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.446 3.894 -4.880 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.185 1.465 -4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.196 3.307 -6.910 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.070 2.078 -6.733 1.00 0.00 H new ATOM 341 N SER A 86 -3.235 6.554 -2.430 1.00 0.00 N ATOM 342 CA SER A 86 -3.212 7.811 -3.169 1.00 0.00 C ATOM 343 C SER A 86 -2.344 7.698 -4.417 1.00 0.00 C ATOM 344 O SER A 86 -2.048 6.597 -4.881 1.00 0.00 O ATOM 345 CB SER A 86 -2.678 8.931 -2.275 1.00 0.00 C ATOM 346 OG SER A 86 -1.287 8.778 -2.047 1.00 0.00 O ATOM 0 H SER A 86 -2.342 6.297 -2.009 1.00 0.00 H new ATOM 0 HA SER A 86 -4.232 8.041 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.870 9.897 -2.742 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.209 8.926 -1.323 1.00 0.00 H new ATOM 0 HG SER A 86 -0.967 9.506 -1.474 1.00 0.00 H new ATOM 352 N LYS A 87 -1.988 8.846 -4.986 1.00 0.00 N ATOM 353 CA LYS A 87 -1.133 8.889 -6.168 1.00 0.00 C ATOM 354 C LYS A 87 0.339 8.696 -5.796 1.00 0.00 C ATOM 355 O LYS A 87 1.079 7.987 -6.479 1.00 0.00 O ATOM 356 CB LYS A 87 -1.317 10.211 -6.911 1.00 0.00 C ATOM 357 CG LYS A 87 -0.671 10.221 -8.287 1.00 0.00 C ATOM 358 CD LYS A 87 -1.522 9.485 -9.311 1.00 0.00 C ATOM 359 CE LYS A 87 -2.653 10.358 -9.828 1.00 0.00 C ATOM 360 NZ LYS A 87 -2.144 11.571 -10.528 1.00 0.00 N ATOM 0 H LYS A 87 -2.280 9.762 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.428 8.069 -6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.382 10.416 -7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.894 11.018 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.520 11.251 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.314 9.757 -8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.896 9.168 -10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.935 8.582 -8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.275 9.779 -10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.289 10.659 -8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.587 11.642 -11.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.377 12.417 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.112 11.502 -10.637 1.00 0.00 H new ATOM 374 N ARG A 88 0.760 9.355 -4.716 1.00 0.00 N ATOM 375 CA ARG A 88 2.143 9.271 -4.241 1.00 0.00 C ATOM 376 C ARG A 88 2.566 7.817 -4.059 1.00 0.00 C ATOM 377 O ARG A 88 3.708 7.456 -4.347 1.00 0.00 O ATOM 378 CB ARG A 88 2.284 10.064 -2.931 1.00 0.00 C ATOM 379 CG ARG A 88 3.534 9.748 -2.110 1.00 0.00 C ATOM 380 CD ARG A 88 3.335 8.545 -1.193 1.00 0.00 C ATOM 381 NE ARG A 88 1.961 8.439 -0.704 1.00 0.00 N ATOM 382 CZ ARG A 88 1.509 9.003 0.415 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.309 9.746 1.169 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.243 8.832 0.773 1.00 0.00 N ATOM 0 H ARG A 88 0.160 9.956 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 88 2.806 9.709 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.284 11.128 -3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.406 9.874 -2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.369 9.555 -2.783 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.802 10.618 -1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.598 7.634 -1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.015 8.622 -0.345 1.00 0.00 H new ATOM 0 HE ARG A 88 1.301 7.894 -1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.281 9.890 0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.952 10.173 2.024 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.380 8.271 0.192 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.107 9.262 1.629 1.00 0.00 H new ATOM 398 N ILE A 89 1.645 6.983 -3.587 1.00 0.00 N ATOM 399 CA ILE A 89 1.935 5.569 -3.401 1.00 0.00 C ATOM 400 C ILE A 89 2.073 4.891 -4.758 1.00 0.00 C ATOM 401 O ILE A 89 3.030 4.160 -5.007 1.00 0.00 O ATOM 402 CB ILE A 89 0.838 4.863 -2.580 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.625 5.593 -1.247 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.204 3.403 -2.353 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.175 4.808 -0.229 1.00 0.00 C ATOM 0 H ILE A 89 0.698 7.261 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 89 2.870 5.491 -2.847 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.098 4.892 -3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.598 5.835 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.118 6.538 -1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.420 2.917 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.307 2.900 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.147 3.345 -1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.279 5.395 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.163 4.588 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.340 3.875 -0.003 1.00 0.00 H new ATOM 417 N GLN A 90 1.108 5.152 -5.636 1.00 0.00 N ATOM 418 CA GLN A 90 1.121 4.597 -6.983 1.00 0.00 C ATOM 419 C GLN A 90 2.441 4.936 -7.659 1.00 0.00 C ATOM 420 O GLN A 90 3.062 4.100 -8.315 1.00 0.00 O ATOM 421 CB GLN A 90 -0.042 5.179 -7.786 1.00 0.00 C ATOM 422 CG GLN A 90 -0.330 4.448 -9.087 1.00 0.00 C ATOM 423 CD GLN A 90 -1.762 3.955 -9.170 1.00 0.00 C ATOM 424 OE1 GLN A 90 -2.675 4.715 -9.490 1.00 0.00 O ATOM 425 NE2 GLN A 90 -1.962 2.671 -8.902 1.00 0.00 N ATOM 0 H GLN A 90 0.304 5.747 -5.436 1.00 0.00 H new ATOM 0 HA GLN A 90 1.013 3.513 -6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.939 5.163 -7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.173 6.224 -8.010 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.129 5.114 -9.926 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.349 3.601 -9.182 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.176 2.076 -8.640 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.902 2.279 -8.958 1.00 0.00 H new ATOM 434 N LYS A 91 2.853 6.186 -7.485 1.00 0.00 N ATOM 435 CA LYS A 91 4.098 6.682 -8.039 1.00 0.00 C ATOM 436 C LYS A 91 5.284 5.982 -7.378 1.00 0.00 C ATOM 437 O LYS A 91 6.241 5.587 -8.045 1.00 0.00 O ATOM 438 CB LYS A 91 4.166 8.192 -7.814 1.00 0.00 C ATOM 439 CG LYS A 91 3.729 9.014 -9.017 1.00 0.00 C ATOM 440 CD LYS A 91 4.895 9.345 -9.934 1.00 0.00 C ATOM 441 CE LYS A 91 4.497 10.376 -10.980 1.00 0.00 C ATOM 442 NZ LYS A 91 3.775 11.529 -10.375 1.00 0.00 N ATOM 0 H LYS A 91 2.329 6.882 -6.954 1.00 0.00 H new ATOM 0 HA LYS A 91 4.140 6.473 -9.108 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.538 8.451 -6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.188 8.465 -7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.972 8.464 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.263 9.938 -8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.729 9.725 -9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.242 8.437 -10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.389 10.735 -11.494 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.864 9.905 -11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.745 12.315 -11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.805 11.243 -10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.270 11.835 -9.513 1.00 0.00 H new ATOM 456 N SER A 92 5.204 5.830 -6.058 1.00 0.00 N ATOM 457 CA SER A 92 6.256 5.166 -5.297 1.00 0.00 C ATOM 458 C SER A 92 6.450 3.739 -5.796 1.00 0.00 C ATOM 459 O SER A 92 7.558 3.202 -5.766 1.00 0.00 O ATOM 460 CB SER A 92 5.907 5.160 -3.807 1.00 0.00 C ATOM 461 OG SER A 92 6.814 4.356 -3.072 1.00 0.00 O ATOM 0 H SER A 92 4.420 6.159 -5.494 1.00 0.00 H new ATOM 0 HA SER A 92 7.187 5.715 -5.438 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.926 6.180 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.892 4.787 -3.670 1.00 0.00 H new ATOM 0 HG SER A 92 6.783 4.610 -2.126 1.00 0.00 H new ATOM 467 N ILE A 93 5.359 3.130 -6.251 1.00 0.00 N ATOM 468 CA ILE A 93 5.401 1.769 -6.770 1.00 0.00 C ATOM 469 C ILE A 93 5.920 1.763 -8.204 1.00 0.00 C ATOM 470 O ILE A 93 6.690 0.885 -8.595 1.00 0.00 O ATOM 471 CB ILE A 93 4.007 1.109 -6.739 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.451 1.097 -5.314 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.076 -0.307 -7.293 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.977 0.758 -5.243 1.00 0.00 C ATOM 0 H ILE A 93 4.434 3.559 -6.270 1.00 0.00 H new ATOM 0 HA ILE A 93 6.074 1.199 -6.129 1.00 0.00 H new ATOM 0 HB ILE A 93 3.335 1.694 -7.367 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.011 0.374 -4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.613 2.075 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.084 -0.758 -7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.431 -0.278 -8.323 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.762 -0.901 -6.689 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.651 0.768 -4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.407 1.494 -5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.811 -0.233 -5.666 1.00 0.00 H new ATOM 486 N SER A 94 5.490 2.752 -8.983 1.00 0.00 N ATOM 487 CA SER A 94 5.903 2.867 -10.377 1.00 0.00 C ATOM 488 C SER A 94 7.411 3.056 -10.493 1.00 0.00 C ATOM 489 O SER A 94 8.040 2.526 -11.407 1.00 0.00 O ATOM 490 CB SER A 94 5.179 4.030 -11.056 1.00 0.00 C ATOM 491 OG SER A 94 3.887 3.642 -11.489 1.00 0.00 O ATOM 0 H SER A 94 4.854 3.486 -8.671 1.00 0.00 H new ATOM 0 HA SER A 94 5.635 1.938 -10.879 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.098 4.867 -10.362 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.763 4.378 -11.908 1.00 0.00 H new ATOM 0 HG SER A 94 3.444 4.403 -11.918 1.00 0.00 H new ATOM 497 N GLN A 95 7.987 3.818 -9.570 1.00 0.00 N ATOM 498 CA GLN A 95 9.422 4.060 -9.590 1.00 0.00 C ATOM 499 C GLN A 95 10.176 2.792 -9.209 1.00 0.00 C ATOM 500 O GLN A 95 11.242 2.503 -9.753 1.00 0.00 O ATOM 501 CB GLN A 95 9.794 5.209 -8.653 1.00 0.00 C ATOM 502 CG GLN A 95 10.810 6.160 -9.262 1.00 0.00 C ATOM 503 CD GLN A 95 10.351 6.719 -10.596 1.00 0.00 C ATOM 504 OE1 GLN A 95 11.139 6.846 -11.533 1.00 0.00 O ATOM 505 NE2 GLN A 95 9.074 7.072 -10.687 1.00 0.00 N ATOM 0 H GLN A 95 7.487 4.274 -8.807 1.00 0.00 H new ATOM 0 HA GLN A 95 9.708 4.345 -10.602 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.894 5.765 -8.392 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.196 4.800 -7.726 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.994 6.982 -8.571 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.757 5.638 -9.396 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.453 6.950 -9.887 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.714 7.465 -11.557 1.00 0.00 H new ATOM 514 N LYS A 96 9.615 2.037 -8.270 1.00 0.00 N ATOM 515 CA LYS A 96 10.222 0.784 -7.841 1.00 0.00 C ATOM 516 C LYS A 96 10.038 -0.279 -8.910 1.00 0.00 C ATOM 517 O LYS A 96 10.974 -0.994 -9.268 1.00 0.00 O ATOM 518 CB LYS A 96 9.585 0.281 -6.544 1.00 0.00 C ATOM 519 CG LYS A 96 9.965 1.069 -5.307 1.00 0.00 C ATOM 520 CD LYS A 96 9.848 0.206 -4.061 1.00 0.00 C ATOM 521 CE LYS A 96 9.759 1.047 -2.803 1.00 0.00 C ATOM 522 NZ LYS A 96 8.545 1.909 -2.796 1.00 0.00 N ATOM 0 H LYS A 96 8.744 2.271 -7.793 1.00 0.00 H new ATOM 0 HA LYS A 96 11.283 0.971 -7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.501 0.304 -6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.868 -0.761 -6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.986 1.438 -5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.318 1.941 -5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.964 -0.427 -4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.711 -0.457 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.746 0.394 -1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.648 1.672 -2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.274 2.119 -1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.748 2.798 -3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.765 1.413 -3.273 1.00 0.00 H new ATOM 536 N LYS A 97 8.815 -0.362 -9.422 1.00 0.00 N ATOM 537 CA LYS A 97 8.464 -1.349 -10.431 1.00 0.00 C ATOM 538 C LYS A 97 8.361 -2.720 -9.781 1.00 0.00 C ATOM 539 O LYS A 97 9.258 -3.553 -9.907 1.00 0.00 O ATOM 540 CB LYS A 97 9.488 -1.368 -11.567 1.00 0.00 C ATOM 541 CG LYS A 97 8.873 -1.646 -12.933 1.00 0.00 C ATOM 542 CD LYS A 97 8.232 -3.025 -12.992 1.00 0.00 C ATOM 543 CE LYS A 97 9.268 -4.115 -13.212 1.00 0.00 C ATOM 544 NZ LYS A 97 9.628 -4.257 -14.650 1.00 0.00 N ATOM 0 H LYS A 97 8.045 0.249 -9.150 1.00 0.00 H new ATOM 0 HA LYS A 97 7.500 -1.080 -10.864 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.003 -0.408 -11.598 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.241 -2.127 -11.355 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.124 -0.887 -13.156 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.643 -1.569 -13.701 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.693 -3.216 -12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.498 -3.052 -13.798 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.164 -3.886 -12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.882 -5.064 -12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.337 -5.010 -14.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.778 -4.500 -15.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.021 -3.360 -15.000 1.00 0.00 H new ATOM 558 N VAL A 98 7.262 -2.934 -9.066 1.00 0.00 N ATOM 559 CA VAL A 98 7.026 -4.191 -8.371 1.00 0.00 C ATOM 560 C VAL A 98 5.655 -4.761 -8.717 1.00 0.00 C ATOM 561 O VAL A 98 4.810 -4.068 -9.284 1.00 0.00 O ATOM 562 CB VAL A 98 7.125 -4.002 -6.846 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.551 -3.656 -6.443 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.157 -2.924 -6.381 1.00 0.00 C ATOM 0 H VAL A 98 6.517 -2.247 -8.953 1.00 0.00 H new ATOM 0 HA VAL A 98 7.795 -4.891 -8.698 1.00 0.00 H new ATOM 0 HB VAL A 98 6.852 -4.940 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.602 -3.526 -5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.220 -4.462 -6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.854 -2.731 -6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.239 -2.803 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.399 -1.981 -6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.138 -3.215 -6.637 1.00 0.00 H new ATOM 574 N LYS A 99 5.438 -6.025 -8.368 1.00 0.00 N ATOM 575 CA LYS A 99 4.168 -6.683 -8.650 1.00 0.00 C ATOM 576 C LYS A 99 3.108 -6.304 -7.624 1.00 0.00 C ATOM 577 O LYS A 99 2.618 -7.154 -6.879 1.00 0.00 O ATOM 578 CB LYS A 99 4.341 -8.199 -8.674 1.00 0.00 C ATOM 579 CG LYS A 99 5.342 -8.686 -9.707 1.00 0.00 C ATOM 580 CD LYS A 99 4.896 -10.005 -10.315 1.00 0.00 C ATOM 581 CE LYS A 99 6.077 -10.856 -10.745 1.00 0.00 C ATOM 582 NZ LYS A 99 7.079 -11.012 -9.653 1.00 0.00 N ATOM 0 H LYS A 99 6.123 -6.612 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 99 3.835 -6.345 -9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.659 -8.535 -7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.374 -8.662 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.453 -7.938 -10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.320 -8.808 -9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.297 -10.555 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.256 -9.810 -11.175 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.722 -11.839 -11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.554 -10.402 -11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.585 -11.913 -9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.758 -10.225 -9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.594 -11.007 -8.733 1.00 0.00 H new ATOM 596 N ILE A 100 2.759 -5.026 -7.590 1.00 0.00 N ATOM 597 CA ILE A 100 1.745 -4.538 -6.667 1.00 0.00 C ATOM 598 C ILE A 100 0.786 -3.595 -7.382 1.00 0.00 C ATOM 599 O ILE A 100 1.131 -2.454 -7.687 1.00 0.00 O ATOM 600 CB ILE A 100 2.375 -3.811 -5.458 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.277 -4.769 -4.675 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.294 -3.239 -4.548 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.981 -4.117 -3.505 1.00 0.00 C ATOM 0 H ILE A 100 3.163 -4.308 -8.191 1.00 0.00 H new ATOM 0 HA ILE A 100 1.199 -5.406 -6.298 1.00 0.00 H new ATOM 0 HB ILE A 100 2.980 -2.985 -5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.677 -5.602 -4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.023 -5.186 -5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.760 -2.732 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.686 -2.528 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.662 -4.048 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.602 -4.855 -2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.608 -3.302 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.241 -3.724 -2.808 1.00 0.00 H new ATOM 615 N GLU A 101 -0.413 -4.087 -7.661 1.00 0.00 N ATOM 616 CA GLU A 101 -1.426 -3.290 -8.337 1.00 0.00 C ATOM 617 C GLU A 101 -2.727 -3.308 -7.551 1.00 0.00 C ATOM 618 O GLU A 101 -3.005 -4.254 -6.814 1.00 0.00 O ATOM 619 CB GLU A 101 -1.666 -3.810 -9.754 1.00 0.00 C ATOM 620 CG GLU A 101 -2.237 -5.217 -9.795 1.00 0.00 C ATOM 621 CD GLU A 101 -3.113 -5.450 -11.009 1.00 0.00 C ATOM 622 OE1 GLU A 101 -2.647 -5.189 -12.137 1.00 0.00 O ATOM 623 OE2 GLU A 101 -4.269 -5.888 -10.830 1.00 0.00 O ATOM 0 H GLU A 101 -0.708 -5.036 -7.429 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.064 -2.264 -8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.349 -3.134 -10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.725 -3.792 -10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.420 -5.938 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.819 -5.397 -8.891 1.00 0.00 H new ATOM 630 N LEU A 102 -3.526 -2.265 -7.716 1.00 0.00 N ATOM 631 CA LEU A 102 -4.790 -2.170 -7.006 1.00 0.00 C ATOM 632 C LEU A 102 -5.864 -3.041 -7.643 1.00 0.00 C ATOM 633 O LEU A 102 -6.154 -2.921 -8.834 1.00 0.00 O ATOM 634 CB LEU A 102 -5.281 -0.723 -6.957 1.00 0.00 C ATOM 635 CG LEU A 102 -6.685 -0.566 -6.374 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.681 0.352 -5.167 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.659 -0.071 -7.426 1.00 0.00 C ATOM 0 H LEU A 102 -3.323 -1.478 -8.332 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.609 -2.528 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.583 -0.133 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.269 -0.311 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.016 -1.550 -6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.694 0.443 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.030 -0.062 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.315 1.336 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.650 0.032 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.327 0.897 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.700 -0.785 -8.248 1.00 0.00 H new ATOM 649 N ASP A 103 -6.450 -3.918 -6.839 1.00 0.00 N ATOM 650 CA ASP A 103 -7.524 -4.773 -7.311 1.00 0.00 C ATOM 651 C ASP A 103 -8.718 -3.895 -7.659 1.00 0.00 C ATOM 652 O ASP A 103 -8.867 -2.806 -7.105 1.00 0.00 O ATOM 653 CB ASP A 103 -7.919 -5.770 -6.228 1.00 0.00 C ATOM 654 CG ASP A 103 -8.496 -7.056 -6.792 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.389 -6.976 -7.663 1.00 0.00 O ATOM 656 OD2 ASP A 103 -8.056 -8.144 -6.363 1.00 0.00 O ATOM 0 H ASP A 103 -6.199 -4.054 -5.860 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.194 -5.329 -8.188 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.045 -6.005 -5.621 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.652 -5.308 -5.566 1.00 0.00 H new ATOM 661 N LYS A 104 -9.571 -4.354 -8.561 1.00 0.00 N ATOM 662 CA LYS A 104 -10.730 -3.564 -8.957 1.00 0.00 C ATOM 663 C LYS A 104 -12.020 -4.113 -8.348 1.00 0.00 C ATOM 664 O LYS A 104 -13.027 -3.410 -8.278 1.00 0.00 O ATOM 665 CB LYS A 104 -10.834 -3.510 -10.482 1.00 0.00 C ATOM 666 CG LYS A 104 -9.480 -3.417 -11.170 1.00 0.00 C ATOM 667 CD LYS A 104 -9.566 -2.682 -12.498 1.00 0.00 C ATOM 668 CE LYS A 104 -9.311 -1.192 -12.331 1.00 0.00 C ATOM 669 NZ LYS A 104 -8.013 -0.918 -11.652 1.00 0.00 N ATOM 0 H LYS A 104 -9.487 -5.257 -9.028 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.594 -2.552 -8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.354 -4.400 -10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.440 -2.651 -10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.775 -2.903 -10.516 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.088 -4.420 -11.336 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.839 -3.100 -13.194 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.552 -2.836 -12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.316 -0.712 -13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.122 -0.748 -11.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.615 -0.026 -12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.167 -0.841 -10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.349 -1.695 -11.845 1.00 0.00 H new ATOM 683 N SER A 105 -11.984 -5.367 -7.906 1.00 0.00 N ATOM 684 CA SER A 105 -13.157 -5.991 -7.296 1.00 0.00 C ATOM 685 C SER A 105 -13.403 -5.454 -5.884 1.00 0.00 C ATOM 686 O SER A 105 -14.420 -5.768 -5.265 1.00 0.00 O ATOM 687 CB SER A 105 -12.979 -7.509 -7.239 1.00 0.00 C ATOM 688 OG SER A 105 -12.085 -7.879 -6.203 1.00 0.00 O ATOM 0 H SER A 105 -11.162 -5.969 -7.958 1.00 0.00 H new ATOM 0 HA SER A 105 -14.021 -5.746 -7.914 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.946 -7.986 -7.077 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.602 -7.870 -8.196 1.00 0.00 H new ATOM 0 HG SER A 105 -11.166 -7.672 -6.474 1.00 0.00 H new ATOM 694 N ALA A 106 -12.473 -4.644 -5.378 1.00 0.00 N ATOM 695 CA ALA A 106 -12.589 -4.084 -4.037 1.00 0.00 C ATOM 696 C ALA A 106 -13.828 -3.203 -3.887 1.00 0.00 C ATOM 697 O ALA A 106 -14.638 -3.080 -4.805 1.00 0.00 O ATOM 698 CB ALA A 106 -11.339 -3.288 -3.696 1.00 0.00 C ATOM 0 H ALA A 106 -11.631 -4.362 -5.880 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.694 -4.917 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.434 -2.873 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.468 -3.943 -3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.217 -2.477 -4.414 1.00 0.00 H new ATOM 704 N ARG A 107 -13.958 -2.603 -2.708 1.00 0.00 N ATOM 705 CA ARG A 107 -15.077 -1.719 -2.396 1.00 0.00 C ATOM 706 C ARG A 107 -14.637 -0.626 -1.427 1.00 0.00 C ATOM 707 O ARG A 107 -15.462 -0.011 -0.755 1.00 0.00 O ATOM 708 CB ARG A 107 -16.228 -2.510 -1.775 1.00 0.00 C ATOM 709 CG ARG A 107 -17.060 -3.278 -2.787 1.00 0.00 C ATOM 710 CD ARG A 107 -17.748 -4.472 -2.146 1.00 0.00 C ATOM 711 NE ARG A 107 -16.776 -5.445 -1.638 1.00 0.00 N ATOM 712 CZ ARG A 107 -16.720 -6.732 -1.993 1.00 0.00 C ATOM 713 NH1 ARG A 107 -17.604 -7.264 -2.833 1.00 0.00 N ATOM 714 NH2 ARG A 107 -15.766 -7.503 -1.489 1.00 0.00 N ATOM 0 H ARG A 107 -13.293 -2.715 -1.943 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.416 -1.262 -3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.823 -3.211 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.877 -1.823 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.808 -2.616 -3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.421 -3.618 -3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.384 -4.131 -1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.398 -4.953 -2.876 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.089 -5.114 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.348 -6.686 -3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.537 -8.250 -3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.085 -7.112 -0.838 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -15.713 -8.487 -1.753 1.00 0.00 H new ATOM 728 N HIS A 108 -13.330 -0.387 -1.364 1.00 0.00 N ATOM 729 CA HIS A 108 -12.786 0.618 -0.466 1.00 0.00 C ATOM 730 C HIS A 108 -11.323 0.894 -0.786 1.00 0.00 C ATOM 731 O HIS A 108 -10.697 0.171 -1.561 1.00 0.00 O ATOM 732 CB HIS A 108 -12.912 0.148 0.984 1.00 0.00 C ATOM 733 CG HIS A 108 -12.088 -1.068 1.287 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.757 -1.006 1.642 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.412 -2.383 1.285 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.297 -2.229 1.841 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.281 -3.082 1.631 1.00 0.00 N ATOM 0 H HIS A 108 -12.632 -0.876 -1.924 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.354 1.539 -0.601 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.610 0.958 1.649 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.959 -0.068 1.199 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.380 -2.804 1.054 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.288 -2.486 2.127 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.213 -4.096 1.712 1.00 0.00 H new ATOM 746 N LEU A 109 -10.787 1.945 -0.181 1.00 0.00 N ATOM 747 CA LEU A 109 -9.394 2.313 -0.381 1.00 0.00 C ATOM 748 C LEU A 109 -8.668 2.361 0.957 1.00 0.00 C ATOM 749 O LEU A 109 -8.437 3.433 1.517 1.00 0.00 O ATOM 750 CB LEU A 109 -9.288 3.665 -1.087 1.00 0.00 C ATOM 751 CG LEU A 109 -9.933 3.723 -2.473 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.881 5.138 -3.026 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.246 2.754 -3.423 1.00 0.00 C ATOM 0 H LEU A 109 -11.298 2.559 0.454 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.925 1.558 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.749 4.425 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.234 3.927 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.978 3.428 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.344 5.160 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.419 5.810 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.843 5.460 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.718 2.809 -4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.192 3.018 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.334 1.739 -3.035 1.00 0.00 H new ATOM 765 N TYR A 110 -8.327 1.185 1.472 1.00 0.00 N ATOM 766 CA TYR A 110 -7.631 1.075 2.746 1.00 0.00 C ATOM 767 C TYR A 110 -6.588 -0.031 2.685 1.00 0.00 C ATOM 768 O TYR A 110 -6.925 -1.215 2.686 1.00 0.00 O ATOM 769 CB TYR A 110 -8.617 0.791 3.882 1.00 0.00 C ATOM 770 CG TYR A 110 -9.618 1.899 4.118 1.00 0.00 C ATOM 771 CD1 TYR A 110 -9.246 3.078 4.752 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.939 1.765 3.709 1.00 0.00 C ATOM 773 CE1 TYR A 110 -10.160 4.089 4.973 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.860 2.772 3.925 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.466 3.932 4.558 1.00 0.00 C ATOM 776 OH TYR A 110 -12.380 4.937 4.776 1.00 0.00 O ATOM 0 H TYR A 110 -8.523 0.290 1.023 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.135 2.026 2.943 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.156 -0.130 3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.057 0.619 4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -8.224 3.206 5.078 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.251 0.858 3.213 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.854 4.998 5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.883 2.651 3.600 1.00 0.00 H new ATOM 0 HH TYR A 110 -13.253 4.667 4.422 1.00 0.00 H new ATOM 786 N ILE A 111 -5.323 0.359 2.624 1.00 0.00 N ATOM 787 CA ILE A 111 -4.235 -0.604 2.563 1.00 0.00 C ATOM 788 C ILE A 111 -3.804 -1.027 3.960 1.00 0.00 C ATOM 789 O ILE A 111 -4.069 -0.332 4.941 1.00 0.00 O ATOM 790 CB ILE A 111 -3.016 -0.031 1.816 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.481 1.204 2.543 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.387 0.310 0.380 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.206 1.754 1.942 1.00 0.00 C ATOM 0 H ILE A 111 -5.026 1.335 2.615 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.609 -1.471 2.019 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.231 -0.787 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.244 1.982 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.301 0.951 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.515 0.714 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.726 -0.591 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.186 1.051 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.885 2.628 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.428 0.992 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.386 2.039 0.905 1.00 0.00 H new ATOM 805 N CYS A 112 -3.142 -2.172 4.043 1.00 0.00 N ATOM 806 CA CYS A 112 -2.671 -2.687 5.320 1.00 0.00 C ATOM 807 C CYS A 112 -1.431 -1.931 5.781 1.00 0.00 C ATOM 808 O CYS A 112 -0.810 -1.205 5.006 1.00 0.00 O ATOM 809 CB CYS A 112 -2.357 -4.179 5.203 1.00 0.00 C ATOM 810 SG CYS A 112 -1.138 -4.573 3.927 1.00 0.00 S ATOM 0 H CYS A 112 -2.919 -2.762 3.241 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.460 -2.545 6.059 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.992 -4.540 6.164 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.280 -4.719 4.989 1.00 0.00 H new ATOM 0 HG CYS A 112 -1.321 -5.792 3.514 1.00 0.00 H new ATOM 815 N ASP A 113 -1.082 -2.101 7.051 1.00 0.00 N ATOM 816 CA ASP A 113 0.092 -1.449 7.617 1.00 0.00 C ATOM 817 C ASP A 113 1.358 -1.946 6.921 1.00 0.00 C ATOM 818 O ASP A 113 2.273 -1.172 6.638 1.00 0.00 O ATOM 819 CB ASP A 113 0.154 -1.723 9.132 1.00 0.00 C ATOM 820 CG ASP A 113 1.546 -1.570 9.727 1.00 0.00 C ATOM 821 OD1 ASP A 113 2.132 -0.475 9.601 1.00 0.00 O ATOM 822 OD2 ASP A 113 2.050 -2.552 10.313 1.00 0.00 O ATOM 0 H ASP A 113 -1.597 -2.686 7.709 1.00 0.00 H new ATOM 0 HA ASP A 113 0.020 -0.373 7.459 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.526 -1.042 9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.204 -2.735 9.324 1.00 0.00 H new ATOM 827 N TYR A 114 1.389 -3.241 6.644 1.00 0.00 N ATOM 828 CA TYR A 114 2.533 -3.866 5.995 1.00 0.00 C ATOM 829 C TYR A 114 2.981 -3.078 4.767 1.00 0.00 C ATOM 830 O TYR A 114 4.106 -2.580 4.716 1.00 0.00 O ATOM 831 CB TYR A 114 2.176 -5.298 5.596 1.00 0.00 C ATOM 832 CG TYR A 114 3.260 -6.009 4.822 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.340 -6.590 5.474 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.201 -6.103 3.437 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.331 -7.244 4.768 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.188 -6.757 2.724 1.00 0.00 C ATOM 837 CZ TYR A 114 5.250 -7.326 3.395 1.00 0.00 C ATOM 838 OH TYR A 114 6.235 -7.978 2.689 1.00 0.00 O ATOM 0 H TYR A 114 0.628 -3.885 6.861 1.00 0.00 H new ATOM 0 HA TYR A 114 3.362 -3.876 6.703 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.952 -5.870 6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.267 -5.281 4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.406 -6.529 6.550 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.371 -5.658 2.909 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.165 -7.689 5.290 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.128 -6.822 1.648 1.00 0.00 H new ATOM 0 HH TYR A 114 6.027 -7.946 1.732 1.00 0.00 H new ATOM 848 N HIS A 115 2.095 -2.958 3.786 1.00 0.00 N ATOM 849 CA HIS A 115 2.415 -2.242 2.556 1.00 0.00 C ATOM 850 C HIS A 115 2.610 -0.747 2.804 1.00 0.00 C ATOM 851 O HIS A 115 3.435 -0.110 2.151 1.00 0.00 O ATOM 852 CB HIS A 115 1.326 -2.471 1.507 1.00 0.00 C ATOM 853 CG HIS A 115 1.384 -3.831 0.879 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.258 -4.602 0.723 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.452 -4.505 0.385 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.659 -5.718 0.142 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.982 -5.706 -0.083 1.00 0.00 N ATOM 0 H HIS A 115 1.152 -3.346 3.817 1.00 0.00 H new ATOM 0 HA HIS A 115 3.358 -2.639 2.181 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.349 -2.334 1.971 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.417 -1.714 0.728 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.476 -4.162 0.364 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.005 -6.537 -0.119 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.532 -6.447 -0.518 1.00 0.00 H new ATOM 865 N LYS A 116 1.859 -0.185 3.746 1.00 0.00 N ATOM 866 CA LYS A 116 1.980 1.238 4.052 1.00 0.00 C ATOM 867 C LYS A 116 3.419 1.592 4.410 1.00 0.00 C ATOM 868 O LYS A 116 3.995 2.533 3.865 1.00 0.00 O ATOM 869 CB LYS A 116 1.060 1.637 5.210 1.00 0.00 C ATOM 870 CG LYS A 116 1.072 3.133 5.489 1.00 0.00 C ATOM 871 CD LYS A 116 0.562 3.462 6.883 1.00 0.00 C ATOM 872 CE LYS A 116 1.517 2.970 7.961 1.00 0.00 C ATOM 873 NZ LYS A 116 2.940 3.082 7.541 1.00 0.00 N ATOM 0 H LYS A 116 1.168 -0.685 4.305 1.00 0.00 H new ATOM 0 HA LYS A 116 1.682 1.788 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.041 1.323 4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.365 1.102 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.087 3.514 5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.456 3.644 4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.430 4.540 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.418 3.007 7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.362 3.547 8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.290 1.931 8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.546 3.153 8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.207 2.240 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.063 3.931 6.954 1.00 0.00 H new ATOM 887 N ASN A 117 3.990 0.827 5.333 1.00 0.00 N ATOM 888 CA ASN A 117 5.356 1.055 5.783 1.00 0.00 C ATOM 889 C ASN A 117 6.367 0.697 4.697 1.00 0.00 C ATOM 890 O ASN A 117 7.343 1.415 4.483 1.00 0.00 O ATOM 891 CB ASN A 117 5.623 0.241 7.053 1.00 0.00 C ATOM 892 CG ASN A 117 6.987 0.501 7.686 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.381 -0.205 8.616 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.721 1.505 7.204 1.00 0.00 N ATOM 0 H ASN A 117 3.525 0.040 5.786 1.00 0.00 H new ATOM 0 HA ASN A 117 5.473 2.116 6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.847 0.465 7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.541 -0.820 6.815 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.636 1.706 7.606 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.367 2.071 6.433 1.00 0.00 H new ATOM 901 N LEU A 118 6.121 -0.411 4.010 1.00 0.00 N ATOM 902 CA LEU A 118 7.015 -0.874 2.954 1.00 0.00 C ATOM 903 C LEU A 118 7.148 0.154 1.831 1.00 0.00 C ATOM 904 O LEU A 118 8.241 0.381 1.314 1.00 0.00 O ATOM 905 CB LEU A 118 6.500 -2.202 2.387 1.00 0.00 C ATOM 906 CG LEU A 118 7.428 -2.901 1.388 1.00 0.00 C ATOM 907 CD1 LEU A 118 7.201 -4.404 1.417 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.210 -2.360 -0.018 1.00 0.00 C ATOM 0 H LEU A 118 5.308 -1.008 4.165 1.00 0.00 H new ATOM 0 HA LEU A 118 8.003 -1.016 3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.312 -2.882 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.542 -2.021 1.900 1.00 0.00 H new ATOM 0 HG LEU A 118 8.459 -2.698 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.867 -4.886 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.406 -4.784 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.166 -4.621 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.879 -2.870 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.176 -2.532 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.419 -1.290 -0.033 1.00 0.00 H new ATOM 920 N ILE A 119 6.038 0.788 1.471 1.00 0.00 N ATOM 921 CA ILE A 119 6.034 1.764 0.384 1.00 0.00 C ATOM 922 C ILE A 119 6.464 3.162 0.831 1.00 0.00 C ATOM 923 O ILE A 119 7.245 3.822 0.147 1.00 0.00 O ATOM 924 CB ILE A 119 4.640 1.848 -0.270 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.204 0.466 -0.754 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.650 2.841 -1.424 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.854 0.460 -1.439 1.00 0.00 C ATOM 0 H ILE A 119 5.130 0.645 1.914 1.00 0.00 H new ATOM 0 HA ILE A 119 6.767 1.409 -0.340 1.00 0.00 H new ATOM 0 HB ILE A 119 3.925 2.199 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.954 0.079 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.173 -0.214 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.658 2.887 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.926 3.828 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.373 2.520 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.611 -0.554 -1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.092 0.816 -0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.885 1.114 -2.310 1.00 0.00 H new ATOM 939 N GLN A 120 5.958 3.612 1.973 1.00 0.00 N ATOM 940 CA GLN A 120 6.280 4.946 2.477 1.00 0.00 C ATOM 941 C GLN A 120 7.733 5.074 2.935 1.00 0.00 C ATOM 942 O GLN A 120 8.352 6.120 2.754 1.00 0.00 O ATOM 943 CB GLN A 120 5.371 5.309 3.654 1.00 0.00 C ATOM 944 CG GLN A 120 3.913 5.509 3.288 1.00 0.00 C ATOM 945 CD GLN A 120 3.078 5.936 4.481 1.00 0.00 C ATOM 946 OE1 GLN A 120 3.415 5.637 5.628 1.00 0.00 O ATOM 947 NE2 GLN A 120 1.978 6.633 4.218 1.00 0.00 N ATOM 0 H GLN A 120 5.325 3.077 2.567 1.00 0.00 H new ATOM 0 HA GLN A 120 6.123 5.629 1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.439 4.522 4.405 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.745 6.223 4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.837 6.263 2.504 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.512 4.582 2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 120 1.736 6.859 3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 120 1.376 6.942 4.981 1.00 0.00 H new ATOM 956 N SER A 121 8.277 4.009 3.513 1.00 0.00 N ATOM 957 CA SER A 121 9.636 4.050 4.063 1.00 0.00 C ATOM 958 C SER A 121 10.747 3.953 3.015 1.00 0.00 C ATOM 959 O SER A 121 11.919 3.852 3.375 1.00 0.00 O ATOM 960 CB SER A 121 9.813 2.942 5.100 1.00 0.00 C ATOM 961 OG SER A 121 9.755 1.664 4.495 1.00 0.00 O ATOM 0 H SER A 121 7.806 3.110 3.615 1.00 0.00 H new ATOM 0 HA SER A 121 9.738 5.033 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 121 10.770 3.064 5.608 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.036 3.024 5.860 1.00 0.00 H new ATOM 0 HG SER A 121 8.872 1.534 4.089 1.00 0.00 H new