USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=19 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 67 CYS SG : rot 172:sc= 0.376 USER MOD Set 1.2: A 76 CYS SG : rot 134:sc= 0.412 USER MOD Set 1.3: A 112 CYS SG : rot -154:sc= 0.108 USER MOD Set 1.4: A 115 HIS : no HD1:sc= -0.321 K(o=0.57,f=-2.3) USER MOD Set 2.1: A 65 GLN : amide:sc= 0 X(o=-1.8,f=-1.8) USER MOD Set 2.2: A 108 HIS : no HD1:sc= -1.83! C(o=-1.8!,f=-3.6!) USER MOD Single : A 68 CYS SG : rot -73:sc= 0.0215 USER MOD Single : A 82 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -16:sc= 1.07 USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= -0.0993 (180deg=-0.476) USER MOD Single : A 90 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ -154:sc= -0.125 (180deg=-0.684) USER MOD Single : A 92 SER OG : rot 71:sc= 1.16 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.827 X(o=-0.83,f=-0.58) USER MOD Single : A 96 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.35) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.201) USER MOD Single : A 99 LYS NZ :NH3+ 168:sc= 0.697 (180deg=0.588) USER MOD Single : A 104 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.112) USER MOD Single : A 105 SER OG : rot 180:sc= -0.0113 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 116 LYS NZ :NH3+ -178:sc= -1.7 (180deg=-1.74) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 65 -11.787 -5.054 7.651 1.00 0.00 N ATOM 46 CA GLN A 65 -11.531 -5.462 6.279 1.00 0.00 C ATOM 47 C GLN A 65 -10.079 -5.888 6.114 1.00 0.00 C ATOM 48 O GLN A 65 -9.258 -5.700 7.013 1.00 0.00 O ATOM 49 CB GLN A 65 -11.831 -4.307 5.321 1.00 0.00 C ATOM 50 CG GLN A 65 -13.159 -3.613 5.578 1.00 0.00 C ATOM 51 CD GLN A 65 -14.318 -4.284 4.869 1.00 0.00 C ATOM 52 OE1 GLN A 65 -14.558 -4.043 3.685 1.00 0.00 O ATOM 53 NE2 GLN A 65 -15.056 -5.119 5.592 1.00 0.00 N ATOM 0 HA GLN A 65 -12.181 -6.306 6.046 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.030 -3.572 5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.824 -4.686 4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.354 -3.598 6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.091 -2.575 5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.822 -5.290 6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.857 -5.589 5.169 1.00 0.00 H new ATOM 62 N LEU A 66 -9.765 -6.454 4.956 1.00 0.00 N ATOM 63 CA LEU A 66 -8.409 -6.894 4.667 1.00 0.00 C ATOM 64 C LEU A 66 -7.770 -5.987 3.620 1.00 0.00 C ATOM 65 O LEU A 66 -8.445 -5.158 3.010 1.00 0.00 O ATOM 66 CB LEU A 66 -8.414 -8.342 4.171 1.00 0.00 C ATOM 67 CG LEU A 66 -9.132 -9.338 5.085 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.137 -10.724 4.461 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.475 -9.373 6.457 1.00 0.00 C ATOM 0 H LEU A 66 -10.432 -6.619 4.202 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.825 -6.839 5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.883 -8.371 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.382 -8.669 4.042 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.165 -9.011 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.651 -11.420 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.652 -10.689 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.111 -11.059 4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.999 -10.086 7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.433 -9.676 6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.522 -8.382 6.908 1.00 0.00 H new ATOM 81 N CYS A 67 -6.468 -6.146 3.422 1.00 0.00 N ATOM 82 CA CYS A 67 -5.739 -5.345 2.445 1.00 0.00 C ATOM 83 C CYS A 67 -6.270 -5.610 1.035 1.00 0.00 C ATOM 84 O CYS A 67 -6.606 -6.745 0.696 1.00 0.00 O ATOM 85 CB CYS A 67 -4.245 -5.666 2.527 1.00 0.00 C ATOM 86 SG CYS A 67 -3.231 -4.844 1.279 1.00 0.00 S ATOM 0 H CYS A 67 -5.894 -6.823 3.925 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.886 -4.289 2.670 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.880 -5.386 3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.112 -6.744 2.432 1.00 0.00 H new ATOM 0 HG CYS A 67 -1.974 -5.046 1.540 1.00 0.00 H new ATOM 91 N CYS A 68 -6.347 -4.559 0.217 1.00 0.00 N ATOM 92 CA CYS A 68 -6.858 -4.692 -1.147 1.00 0.00 C ATOM 93 C CYS A 68 -5.741 -4.640 -2.186 1.00 0.00 C ATOM 94 O CYS A 68 -5.931 -4.123 -3.287 1.00 0.00 O ATOM 95 CB CYS A 68 -7.890 -3.602 -1.440 1.00 0.00 C ATOM 96 SG CYS A 68 -7.256 -1.917 -1.282 1.00 0.00 S ATOM 0 H CYS A 68 -6.064 -3.613 0.473 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.333 -5.671 -1.217 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.271 -3.741 -2.452 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.734 -3.725 -0.762 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.097 -1.629 -0.024 1.00 0.00 H new ATOM 102 N LEU A 69 -4.578 -5.176 -1.835 1.00 0.00 N ATOM 103 CA LEU A 69 -3.447 -5.215 -2.755 1.00 0.00 C ATOM 104 C LEU A 69 -3.117 -6.662 -3.104 1.00 0.00 C ATOM 105 O LEU A 69 -3.563 -7.586 -2.424 1.00 0.00 O ATOM 106 CB LEU A 69 -2.221 -4.534 -2.141 1.00 0.00 C ATOM 107 CG LEU A 69 -2.421 -3.075 -1.732 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.249 -2.594 -0.893 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.594 -2.193 -2.960 1.00 0.00 C ATOM 0 H LEU A 69 -4.393 -5.589 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.720 -4.676 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.912 -5.101 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.401 -4.584 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.328 -3.008 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.407 -1.553 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.169 -3.206 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.329 -2.677 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.735 -1.158 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.706 -2.265 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.465 -2.523 -3.525 1.00 0.00 H new ATOM 121 N ARG A 70 -2.342 -6.859 -4.165 1.00 0.00 N ATOM 122 CA ARG A 70 -1.964 -8.204 -4.585 1.00 0.00 C ATOM 123 C ARG A 70 -0.465 -8.298 -4.835 1.00 0.00 C ATOM 124 O ARG A 70 0.031 -7.837 -5.863 1.00 0.00 O ATOM 125 CB ARG A 70 -2.725 -8.609 -5.852 1.00 0.00 C ATOM 126 CG ARG A 70 -4.234 -8.504 -5.719 1.00 0.00 C ATOM 127 CD ARG A 70 -4.938 -8.797 -7.038 1.00 0.00 C ATOM 128 NE ARG A 70 -5.050 -10.233 -7.306 1.00 0.00 N ATOM 129 CZ ARG A 70 -4.301 -10.910 -8.180 1.00 0.00 C ATOM 130 NH1 ARG A 70 -3.338 -10.310 -8.873 1.00 0.00 N ATOM 131 NH2 ARG A 70 -4.515 -12.207 -8.357 1.00 0.00 N ATOM 0 H ARG A 70 -1.965 -6.110 -4.747 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.227 -8.888 -3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.398 -7.979 -6.679 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.463 -9.635 -6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.582 -9.203 -4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.501 -7.503 -5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.934 -8.355 -7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.392 -8.320 -7.852 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.754 -10.756 -6.785 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.160 -9.314 -8.742 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.777 -10.845 -9.536 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.247 -12.680 -7.827 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.947 -12.731 -9.023 1.00 0.00 H new ATOM 145 N GLU A 71 0.253 -8.888 -3.888 1.00 0.00 N ATOM 146 CA GLU A 71 1.694 -9.055 -4.022 1.00 0.00 C ATOM 147 C GLU A 71 2.006 -10.404 -4.658 1.00 0.00 C ATOM 148 O GLU A 71 1.940 -11.442 -4.000 1.00 0.00 O ATOM 149 CB GLU A 71 2.379 -8.949 -2.659 1.00 0.00 C ATOM 150 CG GLU A 71 3.888 -9.119 -2.726 1.00 0.00 C ATOM 151 CD GLU A 71 4.500 -9.419 -1.373 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.502 -10.602 -0.973 1.00 0.00 O ATOM 153 OE2 GLU A 71 4.979 -8.473 -0.715 1.00 0.00 O ATOM 0 H GLU A 71 -0.138 -9.258 -3.021 1.00 0.00 H new ATOM 0 HA GLU A 71 2.075 -8.260 -4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.149 -7.978 -2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.965 -9.706 -1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.129 -9.927 -3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.335 -8.210 -3.130 1.00 0.00 H new ATOM 160 N ASP A 72 2.336 -10.380 -5.946 1.00 0.00 N ATOM 161 CA ASP A 72 2.641 -11.600 -6.685 1.00 0.00 C ATOM 162 C ASP A 72 1.401 -12.475 -6.815 1.00 0.00 C ATOM 163 O ASP A 72 1.474 -13.699 -6.699 1.00 0.00 O ATOM 164 CB ASP A 72 3.769 -12.376 -6.005 1.00 0.00 C ATOM 165 CG ASP A 72 5.089 -12.215 -6.732 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.099 -12.332 -7.976 1.00 0.00 O ATOM 167 OD2 ASP A 72 6.113 -11.971 -6.060 1.00 0.00 O ATOM 0 H ASP A 72 2.399 -9.526 -6.501 1.00 0.00 H new ATOM 0 HA ASP A 72 2.970 -11.316 -7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.877 -12.031 -4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.506 -13.433 -5.961 1.00 0.00 H new ATOM 172 N GLY A 73 0.259 -11.835 -7.045 1.00 0.00 N ATOM 173 CA GLY A 73 -0.986 -12.565 -7.194 1.00 0.00 C ATOM 174 C GLY A 73 -1.633 -12.918 -5.867 1.00 0.00 C ATOM 175 O GLY A 73 -2.804 -13.295 -5.828 1.00 0.00 O ATOM 0 H GLY A 73 0.174 -10.822 -7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.682 -11.968 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.798 -13.481 -7.755 1.00 0.00 H new ATOM 179 N GLU A 74 -0.883 -12.791 -4.775 1.00 0.00 N ATOM 180 CA GLU A 74 -1.408 -13.116 -3.455 1.00 0.00 C ATOM 181 C GLU A 74 -2.152 -11.928 -2.859 1.00 0.00 C ATOM 182 O GLU A 74 -1.635 -10.811 -2.818 1.00 0.00 O ATOM 183 CB GLU A 74 -0.286 -13.569 -2.521 1.00 0.00 C ATOM 184 CG GLU A 74 -0.226 -15.077 -2.342 1.00 0.00 C ATOM 185 CD GLU A 74 -1.578 -15.671 -1.998 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.346 -15.011 -1.267 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.872 -16.792 -2.464 1.00 0.00 O ATOM 0 H GLU A 74 0.084 -12.467 -4.779 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.114 -13.939 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.668 -13.218 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.422 -13.099 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.147 -15.535 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.486 -15.319 -1.553 1.00 0.00 H new ATOM 194 N ARG A 75 -3.367 -12.189 -2.389 1.00 0.00 N ATOM 195 CA ARG A 75 -4.216 -11.150 -1.818 1.00 0.00 C ATOM 196 C ARG A 75 -3.879 -10.862 -0.357 1.00 0.00 C ATOM 197 O ARG A 75 -4.713 -11.070 0.517 1.00 0.00 O ATOM 198 CB ARG A 75 -5.680 -11.569 -1.917 1.00 0.00 C ATOM 199 CG ARG A 75 -6.644 -10.398 -1.913 1.00 0.00 C ATOM 200 CD ARG A 75 -6.663 -9.705 -3.263 1.00 0.00 C ATOM 201 NE ARG A 75 -6.692 -10.668 -4.359 1.00 0.00 N ATOM 202 CZ ARG A 75 -7.735 -11.448 -4.633 1.00 0.00 C ATOM 203 NH1 ARG A 75 -8.840 -11.364 -3.906 1.00 0.00 N ATOM 204 NH2 ARG A 75 -7.671 -12.313 -5.636 1.00 0.00 N ATOM 0 H ARG A 75 -3.788 -13.118 -2.393 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.038 -10.239 -2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.824 -12.145 -2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.918 -12.229 -1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.646 -10.748 -1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.355 -9.687 -1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.535 -9.054 -3.326 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.783 -9.069 -3.359 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.864 -10.748 -4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.893 -10.700 -3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.637 -11.963 -4.119 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.822 -12.381 -6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.470 -12.911 -5.846 1.00 0.00 H new ATOM 218 N CYS A 76 -2.657 -10.379 -0.116 1.00 0.00 N ATOM 219 CA CYS A 76 -2.185 -10.021 1.232 1.00 0.00 C ATOM 220 C CYS A 76 -2.790 -10.910 2.336 1.00 0.00 C ATOM 221 O CYS A 76 -2.168 -11.886 2.757 1.00 0.00 O ATOM 222 CB CYS A 76 -2.467 -8.535 1.489 1.00 0.00 C ATOM 223 SG CYS A 76 -1.507 -7.808 2.837 1.00 0.00 S ATOM 0 H CYS A 76 -1.964 -10.224 -0.848 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.110 -10.199 1.270 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.265 -7.977 0.575 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.528 -8.413 1.709 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.023 -6.663 2.457 1.00 0.00 H new ATOM 228 N GLY A 77 -3.996 -10.579 2.806 1.00 0.00 N ATOM 229 CA GLY A 77 -4.630 -11.376 3.841 1.00 0.00 C ATOM 230 C GLY A 77 -4.591 -10.716 5.204 1.00 0.00 C ATOM 231 O GLY A 77 -5.344 -11.092 6.103 1.00 0.00 O ATOM 0 H GLY A 77 -4.540 -9.777 2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.667 -11.563 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.136 -12.346 3.899 1.00 0.00 H new ATOM 235 N ARG A 78 -3.712 -9.734 5.363 1.00 0.00 N ATOM 236 CA ARG A 78 -3.583 -9.027 6.632 1.00 0.00 C ATOM 237 C ARG A 78 -4.672 -7.967 6.771 1.00 0.00 C ATOM 238 O ARG A 78 -5.240 -7.510 5.778 1.00 0.00 O ATOM 239 CB ARG A 78 -2.195 -8.392 6.749 1.00 0.00 C ATOM 240 CG ARG A 78 -1.860 -7.917 8.154 1.00 0.00 C ATOM 241 CD ARG A 78 -0.402 -7.497 8.272 1.00 0.00 C ATOM 242 NE ARG A 78 0.503 -8.644 8.311 1.00 0.00 N ATOM 243 CZ ARG A 78 1.813 -8.542 8.522 1.00 0.00 C ATOM 244 NH1 ARG A 78 2.362 -7.352 8.719 1.00 0.00 N ATOM 245 NH2 ARG A 78 2.571 -9.629 8.545 1.00 0.00 N ATOM 0 H ARG A 78 -3.079 -9.410 4.632 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.704 -9.747 7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.445 -9.116 6.431 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.132 -7.547 6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.503 -7.077 8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.068 -8.714 8.867 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.140 -6.859 7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.270 -6.901 9.175 1.00 0.00 H new ATOM 0 HE ARG A 78 0.109 -9.574 8.169 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.780 -6.514 8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.366 -7.274 8.881 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.151 -10.547 8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.575 -9.547 8.707 1.00 0.00 H new ATOM 259 N ALA A 79 -4.961 -7.580 8.009 1.00 0.00 N ATOM 260 CA ALA A 79 -5.994 -6.585 8.283 1.00 0.00 C ATOM 261 C ALA A 79 -5.612 -5.206 7.755 1.00 0.00 C ATOM 262 O ALA A 79 -4.448 -4.810 7.805 1.00 0.00 O ATOM 263 CB ALA A 79 -6.267 -6.514 9.778 1.00 0.00 C ATOM 0 H ALA A 79 -4.494 -7.941 8.841 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.899 -6.898 7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.039 -5.769 9.972 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.605 -7.488 10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.353 -6.234 10.302 1.00 0.00 H new ATOM 269 N ALA A 80 -6.606 -4.480 7.246 1.00 0.00 N ATOM 270 CA ALA A 80 -6.385 -3.137 6.724 1.00 0.00 C ATOM 271 C ALA A 80 -6.120 -2.167 7.870 1.00 0.00 C ATOM 272 O ALA A 80 -6.557 -2.399 8.997 1.00 0.00 O ATOM 273 CB ALA A 80 -7.582 -2.682 5.902 1.00 0.00 C ATOM 0 H ALA A 80 -7.572 -4.802 7.185 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.511 -3.153 6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.400 -1.677 5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.731 -3.366 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.473 -2.676 6.530 1.00 0.00 H new ATOM 279 N GLY A 81 -5.412 -1.078 7.582 1.00 0.00 N ATOM 280 CA GLY A 81 -5.092 -0.115 8.620 1.00 0.00 C ATOM 281 C GLY A 81 -5.749 1.240 8.426 1.00 0.00 C ATOM 282 O GLY A 81 -6.897 1.333 7.991 1.00 0.00 O ATOM 0 H GLY A 81 -5.056 -0.847 6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.397 -0.521 9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.011 0.018 8.657 1.00 0.00 H new ATOM 286 N ASN A 82 -5.002 2.295 8.753 1.00 0.00 N ATOM 287 CA ASN A 82 -5.498 3.664 8.647 1.00 0.00 C ATOM 288 C ASN A 82 -5.130 4.311 7.315 1.00 0.00 C ATOM 289 O ASN A 82 -5.880 5.132 6.789 1.00 0.00 O ATOM 290 CB ASN A 82 -4.931 4.509 9.790 1.00 0.00 C ATOM 291 CG ASN A 82 -5.944 4.764 10.887 1.00 0.00 C ATOM 292 OD1 ASN A 82 -7.141 4.868 10.628 1.00 0.00 O ATOM 293 ND2 ASN A 82 -5.464 4.868 12.121 1.00 0.00 N ATOM 0 H ASN A 82 -4.044 2.224 9.096 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.585 3.620 8.708 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.063 4.004 10.213 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.583 5.463 9.393 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.097 5.041 12.902 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.462 4.775 12.288 1.00 0.00 H new ATOM 300 N ALA A 83 -3.972 3.948 6.779 1.00 0.00 N ATOM 301 CA ALA A 83 -3.509 4.515 5.518 1.00 0.00 C ATOM 302 C ALA A 83 -4.404 4.112 4.352 1.00 0.00 C ATOM 303 O ALA A 83 -5.038 3.057 4.373 1.00 0.00 O ATOM 304 CB ALA A 83 -2.073 4.095 5.248 1.00 0.00 C ATOM 0 H ALA A 83 -3.338 3.266 7.195 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.555 5.600 5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.740 4.525 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.432 4.450 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.016 3.008 5.192 1.00 0.00 H new ATOM 310 N SER A 84 -4.449 4.968 3.339 1.00 0.00 N ATOM 311 CA SER A 84 -5.249 4.710 2.150 1.00 0.00 C ATOM 312 C SER A 84 -4.345 4.534 0.938 1.00 0.00 C ATOM 313 O SER A 84 -3.121 4.598 1.051 1.00 0.00 O ATOM 314 CB SER A 84 -6.223 5.862 1.897 1.00 0.00 C ATOM 315 OG SER A 84 -5.565 6.960 1.286 1.00 0.00 O ATOM 0 H SER A 84 -3.938 5.851 3.318 1.00 0.00 H new ATOM 0 HA SER A 84 -5.818 3.795 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.037 5.520 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.669 6.179 2.840 1.00 0.00 H new ATOM 0 HG SER A 84 -6.209 7.683 1.133 1.00 0.00 H new ATOM 321 N PHE A 85 -4.951 4.309 -0.218 1.00 0.00 N ATOM 322 CA PHE A 85 -4.200 4.146 -1.454 1.00 0.00 C ATOM 323 C PHE A 85 -4.390 5.372 -2.336 1.00 0.00 C ATOM 324 O PHE A 85 -5.340 5.449 -3.115 1.00 0.00 O ATOM 325 CB PHE A 85 -4.651 2.884 -2.186 1.00 0.00 C ATOM 326 CG PHE A 85 -3.918 2.627 -3.471 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.601 2.191 -3.462 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.555 2.802 -4.687 1.00 0.00 C ATOM 329 CE1 PHE A 85 -1.936 1.938 -4.646 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.897 2.546 -5.872 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.588 2.113 -5.853 1.00 0.00 C ATOM 0 H PHE A 85 -5.963 4.235 -0.326 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.141 4.043 -1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.518 2.027 -1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.718 2.961 -2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.091 2.048 -2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.580 3.143 -4.708 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.909 1.604 -4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.407 2.685 -6.814 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.072 1.911 -6.780 1.00 0.00 H new ATOM 341 N SER A 86 -3.488 6.333 -2.194 1.00 0.00 N ATOM 342 CA SER A 86 -3.563 7.573 -2.955 1.00 0.00 C ATOM 343 C SER A 86 -2.757 7.493 -4.247 1.00 0.00 C ATOM 344 O SER A 86 -2.301 6.423 -4.650 1.00 0.00 O ATOM 345 CB SER A 86 -3.055 8.735 -2.101 1.00 0.00 C ATOM 346 OG SER A 86 -1.664 8.617 -1.859 1.00 0.00 O ATOM 0 H SER A 86 -2.693 6.278 -1.557 1.00 0.00 H new ATOM 0 HA SER A 86 -4.607 7.737 -3.222 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.261 9.679 -2.605 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.592 8.756 -1.153 1.00 0.00 H new ATOM 0 HG SER A 86 -1.373 7.704 -2.063 1.00 0.00 H new ATOM 352 N LYS A 87 -2.606 8.643 -4.895 1.00 0.00 N ATOM 353 CA LYS A 87 -1.856 8.743 -6.141 1.00 0.00 C ATOM 354 C LYS A 87 -0.356 8.728 -5.846 1.00 0.00 C ATOM 355 O LYS A 87 0.429 8.104 -6.561 1.00 0.00 O ATOM 356 CB LYS A 87 -2.226 10.028 -6.894 1.00 0.00 C ATOM 357 CG LYS A 87 -3.694 10.439 -6.777 1.00 0.00 C ATOM 358 CD LYS A 87 -4.504 10.011 -7.990 1.00 0.00 C ATOM 359 CE LYS A 87 -4.720 8.507 -8.021 1.00 0.00 C ATOM 360 NZ LYS A 87 -5.490 8.029 -6.839 1.00 0.00 N ATOM 0 H LYS A 87 -2.998 9.528 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.110 7.888 -6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.604 10.842 -6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.983 9.898 -7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.124 9.995 -5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.759 11.521 -6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.469 10.517 -7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.990 10.323 -8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.251 8.236 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.754 8.003 -8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.905 7.098 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.854 7.949 -6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.250 8.706 -6.623 1.00 0.00 H new ATOM 374 N ARG A 88 0.025 9.438 -4.786 1.00 0.00 N ATOM 375 CA ARG A 88 1.416 9.525 -4.362 1.00 0.00 C ATOM 376 C ARG A 88 2.019 8.133 -4.193 1.00 0.00 C ATOM 377 O ARG A 88 3.121 7.865 -4.671 1.00 0.00 O ATOM 378 CB ARG A 88 1.490 10.358 -3.066 1.00 0.00 C ATOM 379 CG ARG A 88 2.587 9.967 -2.070 1.00 0.00 C ATOM 380 CD ARG A 88 2.170 8.841 -1.116 1.00 0.00 C ATOM 381 NE ARG A 88 0.766 8.937 -0.682 1.00 0.00 N ATOM 382 CZ ARG A 88 0.341 8.824 0.581 1.00 0.00 C ATOM 383 NH1 ARG A 88 1.182 8.567 1.577 1.00 0.00 N ATOM 384 NH2 ARG A 88 -0.954 8.945 0.843 1.00 0.00 N ATOM 0 H ARG A 88 -0.621 9.967 -4.200 1.00 0.00 H new ATOM 0 HA ARG A 88 2.009 10.025 -5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.632 11.404 -3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.527 10.289 -2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.474 9.656 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.866 10.844 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.326 7.881 -1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.817 8.859 -0.239 1.00 0.00 H new ATOM 0 HE ARG A 88 0.062 9.103 -1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.177 8.451 1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.832 8.486 2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.613 9.122 0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.290 8.861 1.802 1.00 0.00 H new ATOM 398 N ILE A 89 1.294 7.251 -3.519 1.00 0.00 N ATOM 399 CA ILE A 89 1.770 5.893 -3.306 1.00 0.00 C ATOM 400 C ILE A 89 1.939 5.182 -4.642 1.00 0.00 C ATOM 401 O ILE A 89 2.910 4.456 -4.851 1.00 0.00 O ATOM 402 CB ILE A 89 0.813 5.094 -2.400 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.688 5.783 -1.041 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.303 3.662 -2.235 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.218 5.057 -0.072 1.00 0.00 C ATOM 0 H ILE A 89 0.380 7.450 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 89 2.735 5.953 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.171 5.061 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.680 5.875 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.310 6.794 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.614 3.114 -1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.351 3.179 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.295 3.667 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.257 5.605 0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.221 4.988 -0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.170 4.054 0.108 1.00 0.00 H new ATOM 417 N GLN A 90 0.991 5.405 -5.547 1.00 0.00 N ATOM 418 CA GLN A 90 1.049 4.800 -6.871 1.00 0.00 C ATOM 419 C GLN A 90 2.322 5.236 -7.582 1.00 0.00 C ATOM 420 O GLN A 90 3.087 4.409 -8.079 1.00 0.00 O ATOM 421 CB GLN A 90 -0.175 5.200 -7.697 1.00 0.00 C ATOM 422 CG GLN A 90 -0.158 4.648 -9.113 1.00 0.00 C ATOM 423 CD GLN A 90 0.281 5.677 -10.139 1.00 0.00 C ATOM 424 OE1 GLN A 90 -0.048 6.858 -10.030 1.00 0.00 O ATOM 425 NE2 GLN A 90 1.037 5.232 -11.136 1.00 0.00 N ATOM 0 H GLN A 90 0.177 5.998 -5.388 1.00 0.00 H new ATOM 0 HA GLN A 90 1.053 3.716 -6.760 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.075 4.851 -7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.235 6.288 -7.740 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.513 3.790 -9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.154 4.287 -9.370 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.285 4.244 -11.186 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.370 5.878 -11.852 1.00 0.00 H new ATOM 434 N LYS A 91 2.545 6.545 -7.612 1.00 0.00 N ATOM 435 CA LYS A 91 3.728 7.104 -8.240 1.00 0.00 C ATOM 436 C LYS A 91 4.976 6.512 -7.598 1.00 0.00 C ATOM 437 O LYS A 91 5.961 6.215 -8.274 1.00 0.00 O ATOM 438 CB LYS A 91 3.715 8.626 -8.097 1.00 0.00 C ATOM 439 CG LYS A 91 3.871 9.369 -9.413 1.00 0.00 C ATOM 440 CD LYS A 91 5.314 9.381 -9.886 1.00 0.00 C ATOM 441 CE LYS A 91 5.411 9.696 -11.369 1.00 0.00 C ATOM 442 NZ LYS A 91 4.735 8.661 -12.200 1.00 0.00 N ATOM 0 H LYS A 91 1.917 7.238 -7.206 1.00 0.00 H new ATOM 0 HA LYS A 91 3.733 6.856 -9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.779 8.929 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.519 8.925 -7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.244 8.901 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.518 10.394 -9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.878 10.121 -9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.771 8.411 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.961 10.669 -11.564 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.460 9.766 -11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.166 8.640 -13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.843 7.730 -11.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.724 8.890 -12.285 1.00 0.00 H new ATOM 456 N SER A 92 4.918 6.335 -6.280 1.00 0.00 N ATOM 457 CA SER A 92 6.028 5.760 -5.537 1.00 0.00 C ATOM 458 C SER A 92 6.248 4.315 -5.969 1.00 0.00 C ATOM 459 O SER A 92 7.380 3.846 -6.044 1.00 0.00 O ATOM 460 CB SER A 92 5.757 5.826 -4.033 1.00 0.00 C ATOM 461 OG SER A 92 5.585 7.167 -3.604 1.00 0.00 O ATOM 0 H SER A 92 4.111 6.583 -5.707 1.00 0.00 H new ATOM 0 HA SER A 92 6.928 6.336 -5.751 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.864 5.247 -3.795 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.586 5.371 -3.491 1.00 0.00 H new ATOM 0 HG SER A 92 4.730 7.510 -3.937 1.00 0.00 H new ATOM 467 N ILE A 93 5.153 3.616 -6.253 1.00 0.00 N ATOM 468 CA ILE A 93 5.222 2.231 -6.702 1.00 0.00 C ATOM 469 C ILE A 93 5.691 2.175 -8.154 1.00 0.00 C ATOM 470 O ILE A 93 6.319 1.206 -8.579 1.00 0.00 O ATOM 471 CB ILE A 93 3.847 1.529 -6.576 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.437 1.421 -5.106 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.875 0.146 -7.218 1.00 0.00 C ATOM 474 CD1 ILE A 93 2.005 0.972 -4.910 1.00 0.00 C ATOM 0 H ILE A 93 4.206 3.988 -6.180 1.00 0.00 H new ATOM 0 HA ILE A 93 5.935 1.708 -6.064 1.00 0.00 H new ATOM 0 HB ILE A 93 3.111 2.134 -7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.102 0.719 -4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.574 2.390 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.897 -0.323 -7.114 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.122 0.241 -8.275 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.627 -0.469 -6.724 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.783 0.918 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.332 1.686 -5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.867 -0.011 -5.360 1.00 0.00 H new ATOM 486 N SER A 94 5.379 3.227 -8.903 1.00 0.00 N ATOM 487 CA SER A 94 5.758 3.312 -10.309 1.00 0.00 C ATOM 488 C SER A 94 7.267 3.464 -10.462 1.00 0.00 C ATOM 489 O SER A 94 7.914 2.667 -11.140 1.00 0.00 O ATOM 490 CB SER A 94 5.043 4.486 -10.978 1.00 0.00 C ATOM 491 OG SER A 94 5.397 4.586 -12.346 1.00 0.00 O ATOM 0 H SER A 94 4.862 4.036 -8.558 1.00 0.00 H new ATOM 0 HA SER A 94 5.457 2.385 -10.797 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.964 4.359 -10.887 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.299 5.412 -10.464 1.00 0.00 H new ATOM 0 HG SER A 94 4.925 5.343 -12.751 1.00 0.00 H new ATOM 497 N GLN A 95 7.825 4.494 -9.832 1.00 0.00 N ATOM 498 CA GLN A 95 9.261 4.739 -9.902 1.00 0.00 C ATOM 499 C GLN A 95 10.033 3.476 -9.525 1.00 0.00 C ATOM 500 O GLN A 95 11.188 3.302 -9.913 1.00 0.00 O ATOM 501 CB GLN A 95 9.653 5.899 -8.987 1.00 0.00 C ATOM 502 CG GLN A 95 10.822 6.721 -9.508 1.00 0.00 C ATOM 503 CD GLN A 95 10.610 7.201 -10.932 1.00 0.00 C ATOM 504 OE1 GLN A 95 9.976 8.231 -11.165 1.00 0.00 O ATOM 505 NE2 GLN A 95 11.152 6.462 -11.894 1.00 0.00 N ATOM 0 H GLN A 95 7.307 5.169 -9.270 1.00 0.00 H new ATOM 0 HA GLN A 95 9.516 5.010 -10.927 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.791 6.553 -8.855 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.908 5.504 -8.003 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.974 7.582 -8.857 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.731 6.122 -9.462 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.669 5.616 -11.657 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.051 6.741 -12.870 1.00 0.00 H new ATOM 514 N LYS A 96 9.386 2.601 -8.758 1.00 0.00 N ATOM 515 CA LYS A 96 9.995 1.340 -8.351 1.00 0.00 C ATOM 516 C LYS A 96 9.691 0.260 -9.376 1.00 0.00 C ATOM 517 O LYS A 96 10.577 -0.471 -9.816 1.00 0.00 O ATOM 518 CB LYS A 96 9.457 0.883 -6.993 1.00 0.00 C ATOM 519 CG LYS A 96 9.730 1.842 -5.851 1.00 0.00 C ATOM 520 CD LYS A 96 9.214 1.282 -4.534 1.00 0.00 C ATOM 521 CE LYS A 96 8.928 2.382 -3.528 1.00 0.00 C ATOM 522 NZ LYS A 96 9.950 3.460 -3.572 1.00 0.00 N ATOM 0 H LYS A 96 8.439 2.744 -8.406 1.00 0.00 H new ATOM 0 HA LYS A 96 11.071 1.500 -8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.380 0.733 -7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.896 -0.085 -6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.801 2.029 -5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.253 2.801 -6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.305 0.709 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.949 0.592 -4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.944 2.807 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.894 1.956 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.914 4.009 -2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.895 3.039 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.757 4.088 -4.378 1.00 0.00 H new ATOM 536 N LYS A 97 8.418 0.176 -9.752 1.00 0.00 N ATOM 537 CA LYS A 97 7.959 -0.824 -10.702 1.00 0.00 C ATOM 538 C LYS A 97 8.011 -2.201 -10.051 1.00 0.00 C ATOM 539 O LYS A 97 8.965 -2.956 -10.238 1.00 0.00 O ATOM 540 CB LYS A 97 8.801 -0.803 -11.978 1.00 0.00 C ATOM 541 CG LYS A 97 7.975 -0.939 -13.248 1.00 0.00 C ATOM 542 CD LYS A 97 7.458 0.408 -13.728 1.00 0.00 C ATOM 543 CE LYS A 97 6.321 0.250 -14.725 1.00 0.00 C ATOM 544 NZ LYS A 97 6.641 -0.749 -15.782 1.00 0.00 N ATOM 0 H LYS A 97 7.684 0.795 -9.408 1.00 0.00 H new ATOM 0 HA LYS A 97 6.931 -0.594 -10.983 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.364 0.129 -12.018 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.529 -1.614 -11.938 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.582 -1.396 -14.030 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.134 -1.608 -13.066 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.115 0.992 -12.874 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.272 0.967 -14.190 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.417 -0.056 -14.198 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.109 1.213 -15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.930 -0.693 -16.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.582 -0.548 -16.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.635 -1.704 -15.370 1.00 0.00 H new ATOM 558 N VAL A 98 6.983 -2.507 -9.267 1.00 0.00 N ATOM 559 CA VAL A 98 6.905 -3.779 -8.562 1.00 0.00 C ATOM 560 C VAL A 98 5.555 -4.452 -8.785 1.00 0.00 C ATOM 561 O VAL A 98 4.625 -3.838 -9.308 1.00 0.00 O ATOM 562 CB VAL A 98 7.127 -3.584 -7.052 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.537 -3.083 -6.780 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.095 -2.621 -6.483 1.00 0.00 C ATOM 0 H VAL A 98 6.189 -1.888 -9.104 1.00 0.00 H new ATOM 0 HA VAL A 98 7.691 -4.418 -8.964 1.00 0.00 H new ATOM 0 HB VAL A 98 7.006 -4.548 -6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.676 -2.951 -5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.259 -3.809 -7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.688 -2.129 -7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.266 -2.494 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.184 -1.656 -6.982 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.095 -3.022 -6.645 1.00 0.00 H new ATOM 574 N LYS A 99 5.450 -5.715 -8.380 1.00 0.00 N ATOM 575 CA LYS A 99 4.211 -6.465 -8.544 1.00 0.00 C ATOM 576 C LYS A 99 3.210 -6.127 -7.446 1.00 0.00 C ATOM 577 O LYS A 99 2.810 -6.992 -6.666 1.00 0.00 O ATOM 578 CB LYS A 99 4.486 -7.968 -8.548 1.00 0.00 C ATOM 579 CG LYS A 99 5.339 -8.427 -9.717 1.00 0.00 C ATOM 580 CD LYS A 99 4.902 -9.797 -10.212 1.00 0.00 C ATOM 581 CE LYS A 99 6.091 -10.673 -10.562 1.00 0.00 C ATOM 582 NZ LYS A 99 6.940 -10.961 -9.373 1.00 0.00 N ATOM 0 H LYS A 99 6.206 -6.238 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 99 3.780 -6.179 -9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.983 -8.240 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.536 -8.503 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.267 -7.704 -10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.386 -8.463 -9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.302 -10.287 -9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.265 -9.681 -11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.737 -11.611 -10.991 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.692 -10.180 -11.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.616 -11.716 -9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.460 -10.102 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.338 -11.266 -8.582 1.00 0.00 H new ATOM 596 N ILE A 100 2.812 -4.864 -7.390 1.00 0.00 N ATOM 597 CA ILE A 100 1.847 -4.408 -6.401 1.00 0.00 C ATOM 598 C ILE A 100 0.919 -3.365 -7.008 1.00 0.00 C ATOM 599 O ILE A 100 1.312 -2.219 -7.225 1.00 0.00 O ATOM 600 CB ILE A 100 2.543 -3.820 -5.151 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.381 -4.894 -4.457 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.521 -3.236 -4.183 1.00 0.00 C ATOM 603 CD1 ILE A 100 4.131 -4.388 -3.245 1.00 0.00 C ATOM 0 H ILE A 100 3.144 -4.135 -8.021 1.00 0.00 H new ATOM 0 HA ILE A 100 1.266 -5.276 -6.089 1.00 0.00 H new ATOM 0 HB ILE A 100 3.202 -3.015 -5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.728 -5.713 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.095 -5.303 -5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.035 -2.829 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.963 -2.442 -4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.833 -4.019 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.703 -5.204 -2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.810 -3.589 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.421 -4.005 -2.512 1.00 0.00 H new ATOM 615 N GLU A 101 -0.310 -3.774 -7.297 1.00 0.00 N ATOM 616 CA GLU A 101 -1.297 -2.872 -7.874 1.00 0.00 C ATOM 617 C GLU A 101 -2.613 -2.982 -7.123 1.00 0.00 C ATOM 618 O GLU A 101 -2.824 -3.923 -6.358 1.00 0.00 O ATOM 619 CB GLU A 101 -1.509 -3.178 -9.362 1.00 0.00 C ATOM 620 CG GLU A 101 -2.310 -4.445 -9.632 1.00 0.00 C ATOM 621 CD GLU A 101 -1.454 -5.580 -10.152 1.00 0.00 C ATOM 622 OE1 GLU A 101 -1.218 -5.633 -11.378 1.00 0.00 O ATOM 623 OE2 GLU A 101 -1.020 -6.420 -9.335 1.00 0.00 O ATOM 0 H GLU A 101 -0.646 -4.724 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.923 -1.852 -7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.019 -2.334 -9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.536 -3.267 -9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.804 -4.760 -8.713 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.094 -4.226 -10.356 1.00 0.00 H new ATOM 630 N LEU A 102 -3.503 -2.028 -7.347 1.00 0.00 N ATOM 631 CA LEU A 102 -4.787 -2.041 -6.673 1.00 0.00 C ATOM 632 C LEU A 102 -5.782 -2.953 -7.373 1.00 0.00 C ATOM 633 O LEU A 102 -6.099 -2.763 -8.548 1.00 0.00 O ATOM 634 CB LEU A 102 -5.380 -0.639 -6.578 1.00 0.00 C ATOM 635 CG LEU A 102 -6.739 -0.607 -5.886 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.663 0.123 -4.561 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.797 0.002 -6.785 1.00 0.00 C ATOM 0 H LEU A 102 -3.361 -1.244 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.603 -2.423 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.688 0.005 -6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.481 -0.225 -7.581 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.030 -1.637 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.647 0.129 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.952 -0.383 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.335 1.149 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.755 0.011 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.513 1.023 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.885 -0.590 -7.696 1.00 0.00 H new ATOM 649 N ASP A 103 -6.272 -3.944 -6.642 1.00 0.00 N ATOM 650 CA ASP A 103 -7.259 -4.866 -7.177 1.00 0.00 C ATOM 651 C ASP A 103 -8.511 -4.088 -7.562 1.00 0.00 C ATOM 652 O ASP A 103 -9.204 -3.554 -6.696 1.00 0.00 O ATOM 653 CB ASP A 103 -7.611 -5.913 -6.129 1.00 0.00 C ATOM 654 CG ASP A 103 -8.053 -7.233 -6.738 1.00 0.00 C ATOM 655 OD1 ASP A 103 -7.995 -7.363 -7.980 1.00 0.00 O ATOM 656 OD2 ASP A 103 -8.446 -8.139 -5.974 1.00 0.00 O ATOM 0 H ASP A 103 -6.001 -4.129 -5.676 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.851 -5.366 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.745 -6.085 -5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.407 -5.528 -5.491 1.00 0.00 H new ATOM 661 N LYS A 104 -8.798 -4.016 -8.853 1.00 0.00 N ATOM 662 CA LYS A 104 -9.962 -3.280 -9.332 1.00 0.00 C ATOM 663 C LYS A 104 -11.270 -3.930 -8.889 1.00 0.00 C ATOM 664 O LYS A 104 -12.299 -3.263 -8.791 1.00 0.00 O ATOM 665 CB LYS A 104 -9.919 -3.161 -10.856 1.00 0.00 C ATOM 666 CG LYS A 104 -8.978 -2.073 -11.350 1.00 0.00 C ATOM 667 CD LYS A 104 -9.628 -0.700 -11.273 1.00 0.00 C ATOM 668 CE LYS A 104 -8.589 0.407 -11.176 1.00 0.00 C ATOM 669 NZ LYS A 104 -7.558 0.300 -12.243 1.00 0.00 N ATOM 0 H LYS A 104 -8.244 -4.456 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.926 -2.284 -8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.611 -4.117 -11.279 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.924 -2.957 -11.226 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.066 -2.080 -10.753 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.686 -2.282 -12.379 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.249 -0.541 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.288 -0.657 -10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.084 1.376 -11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -8.106 0.366 -10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.016 1.186 -12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.915 -0.488 -12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.022 0.127 -13.158 1.00 0.00 H new ATOM 683 N SER A 105 -11.230 -5.229 -8.614 1.00 0.00 N ATOM 684 CA SER A 105 -12.425 -5.951 -8.187 1.00 0.00 C ATOM 685 C SER A 105 -13.002 -5.348 -6.910 1.00 0.00 C ATOM 686 O SER A 105 -14.219 -5.321 -6.719 1.00 0.00 O ATOM 687 CB SER A 105 -12.104 -7.428 -7.953 1.00 0.00 C ATOM 688 OG SER A 105 -11.566 -7.635 -6.658 1.00 0.00 O ATOM 0 H SER A 105 -10.389 -5.802 -8.678 1.00 0.00 H new ATOM 0 HA SER A 105 -13.166 -5.865 -8.982 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.009 -8.023 -8.073 1.00 0.00 H new ATOM 0 HB3 SER A 105 -11.394 -7.772 -8.705 1.00 0.00 H new ATOM 0 HG SER A 105 -11.371 -8.587 -6.533 1.00 0.00 H new ATOM 694 N ALA A 106 -12.121 -4.861 -6.043 1.00 0.00 N ATOM 695 CA ALA A 106 -12.533 -4.273 -4.771 1.00 0.00 C ATOM 696 C ALA A 106 -13.226 -2.927 -4.960 1.00 0.00 C ATOM 697 O ALA A 106 -13.488 -2.498 -6.084 1.00 0.00 O ATOM 698 CB ALA A 106 -11.332 -4.123 -3.851 1.00 0.00 C ATOM 0 H ALA A 106 -11.113 -4.861 -6.198 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.256 -4.950 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.650 -3.684 -2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.891 -5.102 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.592 -3.475 -4.321 1.00 0.00 H new ATOM 704 N ARG A 107 -13.514 -2.266 -3.840 1.00 0.00 N ATOM 705 CA ARG A 107 -14.183 -0.970 -3.855 1.00 0.00 C ATOM 706 C ARG A 107 -13.468 0.016 -2.939 1.00 0.00 C ATOM 707 O ARG A 107 -12.996 1.066 -3.375 1.00 0.00 O ATOM 708 CB ARG A 107 -15.640 -1.096 -3.384 1.00 0.00 C ATOM 709 CG ARG A 107 -16.255 -2.480 -3.547 1.00 0.00 C ATOM 710 CD ARG A 107 -17.346 -2.717 -2.514 1.00 0.00 C ATOM 711 NE ARG A 107 -18.308 -1.620 -2.475 1.00 0.00 N ATOM 712 CZ ARG A 107 -19.057 -1.326 -1.413 1.00 0.00 C ATOM 713 NH1 ARG A 107 -18.963 -2.050 -0.306 1.00 0.00 N ATOM 714 NH2 ARG A 107 -19.904 -0.306 -1.462 1.00 0.00 N ATOM 0 H ARG A 107 -13.292 -2.611 -2.906 1.00 0.00 H new ATOM 0 HA ARG A 107 -14.160 -0.608 -4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.691 -0.814 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.247 -0.378 -3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -16.670 -2.581 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -15.481 -3.240 -3.444 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.866 -3.647 -2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -16.894 -2.838 -1.530 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.413 -1.044 -3.310 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.315 -2.836 -0.265 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -19.539 -1.820 0.504 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -19.981 0.252 -2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -20.478 -0.080 -0.650 1.00 0.00 H new ATOM 728 N HIS A 108 -13.400 -0.339 -1.659 1.00 0.00 N ATOM 729 CA HIS A 108 -12.771 0.507 -0.653 1.00 0.00 C ATOM 730 C HIS A 108 -11.298 0.754 -0.957 1.00 0.00 C ATOM 731 O HIS A 108 -10.658 -0.012 -1.678 1.00 0.00 O ATOM 732 CB HIS A 108 -12.910 -0.128 0.736 1.00 0.00 C ATOM 733 CG HIS A 108 -12.019 -1.316 0.958 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.643 -1.237 0.944 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.315 -2.615 1.205 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.129 -2.433 1.170 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.123 -3.287 1.334 1.00 0.00 N ATOM 0 H HIS A 108 -13.776 -1.214 -1.293 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.284 1.469 -0.671 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.689 0.625 1.492 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.946 -0.432 0.883 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.303 -3.043 1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.077 -2.671 1.213 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.022 -4.284 1.525 1.00 0.00 H new ATOM 746 N LEU A 109 -10.773 1.834 -0.391 1.00 0.00 N ATOM 747 CA LEU A 109 -9.374 2.196 -0.563 1.00 0.00 C ATOM 748 C LEU A 109 -8.686 2.253 0.795 1.00 0.00 C ATOM 749 O LEU A 109 -8.579 3.317 1.407 1.00 0.00 O ATOM 750 CB LEU A 109 -9.248 3.545 -1.274 1.00 0.00 C ATOM 751 CG LEU A 109 -9.821 3.588 -2.692 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.908 5.023 -3.187 1.00 0.00 C ATOM 753 CD2 LEU A 109 -8.971 2.749 -3.636 1.00 0.00 C ATOM 0 H LEU A 109 -11.302 2.479 0.196 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.891 1.438 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.750 4.303 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.194 3.819 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.827 3.169 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.318 5.035 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.556 5.597 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.912 5.467 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.393 2.791 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.953 3.139 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.957 1.715 -3.291 1.00 0.00 H new ATOM 765 N TYR A 110 -8.235 1.098 1.266 1.00 0.00 N ATOM 766 CA TYR A 110 -7.565 1.000 2.555 1.00 0.00 C ATOM 767 C TYR A 110 -6.530 -0.115 2.527 1.00 0.00 C ATOM 768 O TYR A 110 -6.867 -1.283 2.332 1.00 0.00 O ATOM 769 CB TYR A 110 -8.576 0.734 3.673 1.00 0.00 C ATOM 770 CG TYR A 110 -9.654 1.788 3.793 1.00 0.00 C ATOM 771 CD1 TYR A 110 -9.447 2.940 4.540 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.881 1.627 3.162 1.00 0.00 C ATOM 773 CE1 TYR A 110 -10.433 3.903 4.655 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.871 2.585 3.270 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.642 3.720 4.019 1.00 0.00 C ATOM 776 OH TYR A 110 -12.626 4.676 4.130 1.00 0.00 O ATOM 0 H TYR A 110 -8.322 0.211 0.771 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.067 1.949 2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.047 -0.234 3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.043 0.665 4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -8.501 3.086 5.039 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.064 0.738 2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -10.257 4.794 5.240 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.818 2.446 2.771 1.00 0.00 H new ATOM 0 HH TYR A 110 -13.415 4.394 3.621 1.00 0.00 H new ATOM 786 N ILE A 111 -5.271 0.250 2.717 1.00 0.00 N ATOM 787 CA ILE A 111 -4.191 -0.723 2.713 1.00 0.00 C ATOM 788 C ILE A 111 -3.722 -1.019 4.130 1.00 0.00 C ATOM 789 O ILE A 111 -3.931 -0.222 5.044 1.00 0.00 O ATOM 790 CB ILE A 111 -2.993 -0.229 1.882 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.389 1.025 2.514 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.423 0.047 0.448 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.169 1.544 1.784 1.00 0.00 C ATOM 0 H ILE A 111 -4.973 1.212 2.876 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.584 -1.634 2.262 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.231 -1.008 1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.146 1.809 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.118 0.807 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.566 0.396 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.812 -0.868 0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.200 0.812 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.795 2.435 2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.394 0.777 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.438 1.795 0.758 1.00 0.00 H new ATOM 805 N CYS A 112 -3.092 -2.173 4.307 1.00 0.00 N ATOM 806 CA CYS A 112 -2.588 -2.571 5.614 1.00 0.00 C ATOM 807 C CYS A 112 -1.340 -1.773 5.971 1.00 0.00 C ATOM 808 O CYS A 112 -0.705 -1.177 5.100 1.00 0.00 O ATOM 809 CB CYS A 112 -2.269 -4.067 5.621 1.00 0.00 C ATOM 810 SG CYS A 112 -1.103 -4.574 4.337 1.00 0.00 S ATOM 0 H CYS A 112 -2.918 -2.849 3.563 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.358 -2.367 6.358 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.861 -4.337 6.595 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.196 -4.627 5.497 1.00 0.00 H new ATOM 0 HG CYS A 112 -1.301 -5.824 4.040 1.00 0.00 H new ATOM 815 N ASP A 113 -0.995 -1.756 7.254 1.00 0.00 N ATOM 816 CA ASP A 113 0.186 -1.034 7.712 1.00 0.00 C ATOM 817 C ASP A 113 1.444 -1.637 7.100 1.00 0.00 C ATOM 818 O ASP A 113 2.410 -0.931 6.811 1.00 0.00 O ATOM 819 CB ASP A 113 0.279 -1.072 9.240 1.00 0.00 C ATOM 820 CG ASP A 113 -0.054 0.265 9.873 1.00 0.00 C ATOM 821 OD1 ASP A 113 0.486 1.291 9.409 1.00 0.00 O ATOM 822 OD2 ASP A 113 -0.849 0.285 10.835 1.00 0.00 O ATOM 0 H ASP A 113 -1.514 -2.232 7.992 1.00 0.00 H new ATOM 0 HA ASP A 113 0.099 0.004 7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.401 -1.832 9.624 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.286 -1.369 9.533 1.00 0.00 H new ATOM 827 N TYR A 114 1.415 -2.949 6.903 1.00 0.00 N ATOM 828 CA TYR A 114 2.540 -3.673 6.322 1.00 0.00 C ATOM 829 C TYR A 114 2.992 -3.030 5.011 1.00 0.00 C ATOM 830 O TYR A 114 4.133 -2.586 4.889 1.00 0.00 O ATOM 831 CB TYR A 114 2.142 -5.137 6.093 1.00 0.00 C ATOM 832 CG TYR A 114 3.070 -5.909 5.177 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.382 -6.176 5.545 1.00 0.00 C ATOM 834 CD2 TYR A 114 2.626 -6.372 3.945 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.227 -6.882 4.710 1.00 0.00 C ATOM 836 CE2 TYR A 114 3.464 -7.078 3.104 1.00 0.00 C ATOM 837 CZ TYR A 114 4.763 -7.331 3.491 1.00 0.00 C ATOM 838 OH TYR A 114 5.600 -8.034 2.656 1.00 0.00 O ATOM 0 H TYR A 114 0.617 -3.539 7.139 1.00 0.00 H new ATOM 0 HA TYR A 114 3.379 -3.631 7.017 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.101 -5.643 7.057 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.135 -5.165 5.676 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.748 -5.826 6.499 1.00 0.00 H new ATOM 0 HD2 TYR A 114 1.609 -6.177 3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.245 -7.081 5.010 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.104 -7.430 2.149 1.00 0.00 H new ATOM 0 HH TYR A 114 5.117 -8.278 1.839 1.00 0.00 H new ATOM 848 N HIS A 115 2.091 -2.988 4.036 1.00 0.00 N ATOM 849 CA HIS A 115 2.406 -2.416 2.732 1.00 0.00 C ATOM 850 C HIS A 115 2.736 -0.929 2.832 1.00 0.00 C ATOM 851 O HIS A 115 3.685 -0.458 2.204 1.00 0.00 O ATOM 852 CB HIS A 115 1.249 -2.646 1.757 1.00 0.00 C ATOM 853 CG HIS A 115 1.284 -3.995 1.106 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.231 -4.873 1.206 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.263 -4.562 0.359 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.589 -5.946 0.522 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.813 -5.804 -0.009 1.00 0.00 N ATOM 0 H HIS A 115 1.139 -3.342 4.123 1.00 0.00 H new ATOM 0 HA HIS A 115 3.294 -2.923 2.353 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.305 -2.532 2.290 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.275 -1.877 0.985 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.215 -4.120 0.103 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.026 -6.826 0.405 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.313 -6.488 -0.577 1.00 0.00 H new ATOM 865 N LYS A 116 1.961 -0.188 3.619 1.00 0.00 N ATOM 866 CA LYS A 116 2.204 1.242 3.783 1.00 0.00 C ATOM 867 C LYS A 116 3.650 1.494 4.191 1.00 0.00 C ATOM 868 O LYS A 116 4.337 2.335 3.611 1.00 0.00 O ATOM 869 CB LYS A 116 1.270 1.836 4.840 1.00 0.00 C ATOM 870 CG LYS A 116 1.510 3.318 5.090 1.00 0.00 C ATOM 871 CD LYS A 116 1.123 3.727 6.504 1.00 0.00 C ATOM 872 CE LYS A 116 1.981 3.032 7.552 1.00 0.00 C ATOM 873 NZ LYS A 116 3.432 3.104 7.229 1.00 0.00 N ATOM 0 H LYS A 116 1.167 -0.549 4.148 1.00 0.00 H new ATOM 0 HA LYS A 116 2.009 1.724 2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.237 1.690 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.398 1.291 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.562 3.549 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.936 3.904 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.225 4.807 6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.074 3.487 6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.804 3.490 8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.680 1.987 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.974 2.589 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.602 2.675 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.735 4.099 7.212 1.00 0.00 H new ATOM 887 N ASN A 117 4.102 0.756 5.199 1.00 0.00 N ATOM 888 CA ASN A 117 5.461 0.892 5.708 1.00 0.00 C ATOM 889 C ASN A 117 6.481 0.386 4.695 1.00 0.00 C ATOM 890 O ASN A 117 7.557 0.961 4.535 1.00 0.00 O ATOM 891 CB ASN A 117 5.603 0.112 7.018 1.00 0.00 C ATOM 892 CG ASN A 117 6.924 0.373 7.713 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.942 -0.238 7.388 1.00 0.00 O ATOM 894 ND2 ASN A 117 6.911 1.277 8.686 1.00 0.00 N ATOM 0 H ASN A 117 3.543 0.053 5.682 1.00 0.00 H new ATOM 0 HA ASN A 117 5.654 1.950 5.887 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.786 0.381 7.687 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.509 -0.954 6.813 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.768 1.489 9.197 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.044 1.760 8.922 1.00 0.00 H new ATOM 901 N LEU A 118 6.126 -0.691 4.010 1.00 0.00 N ATOM 902 CA LEU A 118 7.003 -1.300 3.018 1.00 0.00 C ATOM 903 C LEU A 118 7.263 -0.360 1.841 1.00 0.00 C ATOM 904 O LEU A 118 8.389 -0.251 1.364 1.00 0.00 O ATOM 905 CB LEU A 118 6.373 -2.605 2.514 1.00 0.00 C ATOM 906 CG LEU A 118 7.336 -3.604 1.868 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.682 -4.973 1.758 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.779 -3.117 0.497 1.00 0.00 C ATOM 0 H LEU A 118 5.230 -1.165 4.124 1.00 0.00 H new ATOM 0 HA LEU A 118 7.962 -1.507 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.879 -3.096 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.598 -2.356 1.789 1.00 0.00 H new ATOM 0 HG LEU A 118 8.219 -3.688 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.379 -5.673 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.415 -5.329 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.783 -4.899 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.463 -3.843 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.907 -3.002 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.285 -2.157 0.598 1.00 0.00 H new ATOM 920 N ILE A 119 6.221 0.333 1.398 1.00 0.00 N ATOM 921 CA ILE A 119 6.323 1.236 0.250 1.00 0.00 C ATOM 922 C ILE A 119 6.835 2.628 0.619 1.00 0.00 C ATOM 923 O ILE A 119 7.549 3.259 -0.159 1.00 0.00 O ATOM 924 CB ILE A 119 4.950 1.380 -0.433 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.402 0.000 -0.799 1.00 0.00 C ATOM 926 CG2 ILE A 119 5.053 2.265 -1.665 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.946 0.013 -1.210 1.00 0.00 C ATOM 0 H ILE A 119 5.291 0.289 1.815 1.00 0.00 H new ATOM 0 HA ILE A 119 7.050 0.786 -0.426 1.00 0.00 H new ATOM 0 HB ILE A 119 4.260 1.856 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.997 -0.413 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.524 -0.667 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 119 4.072 2.354 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.407 3.254 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.754 1.823 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.628 -1.000 -1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.340 0.395 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.820 0.654 -2.083 1.00 0.00 H new ATOM 939 N GLN A 120 6.473 3.102 1.802 1.00 0.00 N ATOM 940 CA GLN A 120 6.869 4.436 2.251 1.00 0.00 C ATOM 941 C GLN A 120 8.346 4.532 2.635 1.00 0.00 C ATOM 942 O GLN A 120 8.980 5.565 2.409 1.00 0.00 O ATOM 943 CB GLN A 120 6.018 4.845 3.457 1.00 0.00 C ATOM 944 CG GLN A 120 4.720 5.538 3.095 1.00 0.00 C ATOM 945 CD GLN A 120 4.924 6.983 2.683 1.00 0.00 C ATOM 946 OE1 GLN A 120 5.126 7.284 1.507 1.00 0.00 O ATOM 947 NE2 GLN A 120 4.871 7.888 3.655 1.00 0.00 N ATOM 0 H GLN A 120 5.905 2.584 2.472 1.00 0.00 H new ATOM 0 HA GLN A 120 6.708 5.108 1.408 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.790 3.956 4.045 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.605 5.507 4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.239 4.997 2.281 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.042 5.500 3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.701 7.594 4.617 1.00 0.00 H new ATOM 0 HE22 GLN A 120 5.000 8.876 3.439 1.00 0.00 H new ATOM 956 N SER A 121 8.899 3.463 3.196 1.00 0.00 N ATOM 957 CA SER A 121 10.272 3.483 3.672 1.00 0.00 C ATOM 958 C SER A 121 11.315 2.974 2.669 1.00 0.00 C ATOM 959 O SER A 121 12.446 2.685 3.061 1.00 0.00 O ATOM 960 CB SER A 121 10.345 2.672 4.956 1.00 0.00 C ATOM 961 OG SER A 121 9.817 3.405 6.050 1.00 0.00 O ATOM 0 H SER A 121 8.417 2.574 3.331 1.00 0.00 H new ATOM 0 HA SER A 121 10.530 4.529 3.835 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.790 1.742 4.835 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.381 2.401 5.161 1.00 0.00 H new ATOM 0 HG SER A 121 9.873 2.863 6.864 1.00 0.00 H new