USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=21 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 -140:sc= 0.942 USER MOD Set 1.2: A 76 CYS SG : rot -179:sc= 0.247 USER MOD Set 1.3: A 112 CYS SG : rot -76:sc= 0.458 USER MOD Set 1.4: A 115 HIS : no HE2:sc= -2.76! C(o=-1.1!,f=-3.5!) USER MOD Single : A 65 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.12) USER MOD Single : A 68 CYS SG : rot 140:sc= -1.31 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+ 159:sc=-0.00857 (180deg=-0.163) USER MOD Single : A 90 GLN : amide:sc= -1.61! C(o=-1.6!,f=-6.3!) USER MOD Single : A 91 LYS NZ :NH3+ 147:sc= -0.208 (180deg=-1.46!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 96 LYS NZ :NH3+ 166:sc= -0.454 (180deg=-0.901) USER MOD Single : A 97 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0167) USER MOD Single : A 99 LYS NZ :NH3+ 152:sc= 0.251 (180deg=-0.282) USER MOD Single : A 104 LYS NZ :NH3+ -165:sc= -0.0279 (180deg=-0.219) USER MOD Single : A 105 SER OG : rot -76:sc= 1.08 USER MOD Single : A 108 HIS : no HE2:sc= -1.69 K(o=-1.7,f=-5.7!) 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+ 158:sc= -0.163 (180deg=-0.69) USER MOD Single : A 117 ASN : amide:sc= -0.0059 K(o=-0.0059,f=-1.2) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 121 SER OG : rot -57:sc= 0.00382 USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 65 -11.598 -4.873 8.347 1.00 0.00 N ATOM 46 CA GLN A 65 -11.525 -4.950 6.891 1.00 0.00 C ATOM 47 C GLN A 65 -10.255 -5.661 6.439 1.00 0.00 C ATOM 48 O GLN A 65 -9.544 -6.260 7.246 1.00 0.00 O ATOM 49 CB GLN A 65 -11.562 -3.544 6.292 1.00 0.00 C ATOM 50 CG GLN A 65 -12.569 -2.622 6.968 1.00 0.00 C ATOM 51 CD GLN A 65 -12.210 -1.150 6.862 1.00 0.00 C ATOM 52 OE1 GLN A 65 -13.080 -0.308 6.642 1.00 0.00 O ATOM 53 NE2 GLN A 65 -10.935 -0.818 7.060 1.00 0.00 N ATOM 0 HA GLN A 65 -12.384 -5.523 6.541 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.569 -3.100 6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.802 -3.616 5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.551 -2.781 6.523 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.648 -2.893 8.021 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.241 -1.544 7.240 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.653 0.162 7.032 1.00 0.00 H new ATOM 62 N LEU A 66 -9.972 -5.589 5.141 1.00 0.00 N ATOM 63 CA LEU A 66 -8.786 -6.225 4.588 1.00 0.00 C ATOM 64 C LEU A 66 -8.063 -5.324 3.597 1.00 0.00 C ATOM 65 O LEU A 66 -8.578 -4.288 3.194 1.00 0.00 O ATOM 66 CB LEU A 66 -9.143 -7.551 3.941 1.00 0.00 C ATOM 67 CG LEU A 66 -8.649 -8.748 4.740 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.641 -9.132 5.820 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.366 -9.909 3.831 1.00 0.00 C ATOM 0 H LEU A 66 -10.547 -5.098 4.457 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.102 -6.410 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.225 -7.616 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.716 -7.588 2.939 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.718 -8.466 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.261 -9.990 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.780 -8.293 6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.596 -9.390 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.014 -10.755 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.278 -10.189 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.601 -9.627 3.108 1.00 0.00 H new ATOM 81 N CYS A 67 -6.856 -5.727 3.220 1.00 0.00 N ATOM 82 CA CYS A 67 -6.042 -4.962 2.282 1.00 0.00 C ATOM 83 C CYS A 67 -6.502 -5.195 0.844 1.00 0.00 C ATOM 84 O CYS A 67 -6.930 -6.294 0.493 1.00 0.00 O ATOM 85 CB CYS A 67 -4.573 -5.353 2.441 1.00 0.00 C ATOM 86 SG CYS A 67 -3.448 -4.496 1.321 1.00 0.00 S ATOM 0 H CYS A 67 -6.416 -6.585 3.552 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.158 -3.901 2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.266 -5.154 3.468 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.476 -6.427 2.282 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.546 -5.328 0.892 1.00 0.00 H new ATOM 91 N CYS A 68 -6.405 -4.158 0.011 1.00 0.00 N ATOM 92 CA CYS A 68 -6.833 -4.262 -1.383 1.00 0.00 C ATOM 93 C CYS A 68 -5.651 -4.239 -2.355 1.00 0.00 C ATOM 94 O CYS A 68 -5.776 -3.764 -3.483 1.00 0.00 O ATOM 95 CB CYS A 68 -7.819 -3.141 -1.721 1.00 0.00 C ATOM 96 SG CYS A 68 -7.143 -1.475 -1.542 1.00 0.00 S ATOM 0 H CYS A 68 -6.037 -3.244 0.275 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.329 -5.226 -1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.162 -3.273 -2.747 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.694 -3.236 -1.078 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.563 -0.729 -2.520 1.00 0.00 H new ATOM 102 N LEU A 69 -4.504 -4.742 -1.911 1.00 0.00 N ATOM 103 CA LEU A 69 -3.321 -4.819 -2.759 1.00 0.00 C ATOM 104 C LEU A 69 -3.028 -6.269 -3.108 1.00 0.00 C ATOM 105 O LEU A 69 -3.479 -7.184 -2.419 1.00 0.00 O ATOM 106 CB LEU A 69 -2.107 -4.198 -2.071 1.00 0.00 C ATOM 107 CG LEU A 69 -2.208 -2.696 -1.834 1.00 0.00 C ATOM 108 CD1 LEU A 69 -0.905 -2.157 -1.261 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.562 -1.976 -3.127 1.00 0.00 C ATOM 0 H LEU A 69 -4.369 -5.103 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.521 -4.257 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.957 -4.694 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.222 -4.398 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.002 -2.514 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.996 -1.083 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.693 -2.651 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.092 -2.350 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.630 -0.904 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.790 -2.166 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.520 -2.341 -3.496 1.00 0.00 H new ATOM 121 N ARG A 70 -2.272 -6.479 -4.176 1.00 0.00 N ATOM 122 CA ARG A 70 -1.933 -7.827 -4.605 1.00 0.00 C ATOM 123 C ARG A 70 -0.425 -8.029 -4.652 1.00 0.00 C ATOM 124 O ARG A 70 0.268 -7.409 -5.458 1.00 0.00 O ATOM 125 CB ARG A 70 -2.526 -8.111 -5.984 1.00 0.00 C ATOM 126 CG ARG A 70 -3.983 -7.705 -6.125 1.00 0.00 C ATOM 127 CD ARG A 70 -4.546 -8.133 -7.470 1.00 0.00 C ATOM 128 NE ARG A 70 -3.606 -7.879 -8.560 1.00 0.00 N ATOM 129 CZ ARG A 70 -3.689 -8.456 -9.754 1.00 0.00 C ATOM 130 NH1 ARG A 70 -4.684 -9.290 -10.023 1.00 0.00 N ATOM 131 NH2 ARG A 70 -2.779 -8.193 -10.682 1.00 0.00 N ATOM 0 H ARG A 70 -1.884 -5.737 -4.758 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.354 -8.520 -3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.938 -7.585 -6.736 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.434 -9.176 -6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.568 -8.156 -5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.074 -6.624 -6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.789 -9.195 -7.440 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.476 -7.598 -7.661 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.844 -7.222 -8.395 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.388 -9.490 -9.313 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.745 -9.732 -10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.015 -7.548 -10.479 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.843 -8.636 -11.599 1.00 0.00 H new ATOM 145 N GLU A 71 0.080 -8.894 -3.782 1.00 0.00 N ATOM 146 CA GLU A 71 1.505 -9.188 -3.749 1.00 0.00 C ATOM 147 C GLU A 71 1.764 -10.558 -4.361 1.00 0.00 C ATOM 148 O GLU A 71 1.516 -11.588 -3.733 1.00 0.00 O ATOM 149 CB GLU A 71 2.043 -9.141 -2.319 1.00 0.00 C ATOM 150 CG GLU A 71 3.561 -9.129 -2.251 1.00 0.00 C ATOM 151 CD GLU A 71 4.089 -9.362 -0.850 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.366 -9.046 0.118 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.226 -9.860 -0.721 1.00 0.00 O ATOM 0 H GLU A 71 -0.474 -9.402 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 71 2.026 -8.428 -4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.656 -8.252 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.668 -10.003 -1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.956 -9.898 -2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.929 -8.171 -2.618 1.00 0.00 H new ATOM 160 N ASP A 72 2.256 -10.561 -5.596 1.00 0.00 N ATOM 161 CA ASP A 72 2.537 -11.800 -6.311 1.00 0.00 C ATOM 162 C ASP A 72 1.247 -12.570 -6.576 1.00 0.00 C ATOM 163 O ASP A 72 1.159 -13.768 -6.310 1.00 0.00 O ATOM 164 CB ASP A 72 3.518 -12.672 -5.525 1.00 0.00 C ATOM 165 CG ASP A 72 4.900 -12.056 -5.449 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.214 -11.194 -6.297 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.670 -12.436 -4.542 1.00 0.00 O ATOM 0 H ASP A 72 2.469 -9.715 -6.124 1.00 0.00 H new ATOM 0 HA ASP A 72 2.994 -11.541 -7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.135 -12.827 -4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.585 -13.653 -5.994 1.00 0.00 H new ATOM 172 N GLY A 73 0.247 -11.866 -7.097 1.00 0.00 N ATOM 173 CA GLY A 73 -1.026 -12.492 -7.397 1.00 0.00 C ATOM 174 C GLY A 73 -1.827 -12.847 -6.156 1.00 0.00 C ATOM 175 O GLY A 73 -2.904 -13.433 -6.261 1.00 0.00 O ATOM 0 H GLY A 73 0.297 -10.871 -7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.615 -11.821 -8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.850 -13.397 -7.979 1.00 0.00 H new ATOM 179 N GLU A 74 -1.313 -12.494 -4.979 1.00 0.00 N ATOM 180 CA GLU A 74 -2.011 -12.797 -3.734 1.00 0.00 C ATOM 181 C GLU A 74 -2.657 -11.553 -3.143 1.00 0.00 C ATOM 182 O GLU A 74 -2.029 -10.499 -3.057 1.00 0.00 O ATOM 183 CB GLU A 74 -1.059 -13.425 -2.709 1.00 0.00 C ATOM 184 CG GLU A 74 -1.144 -14.942 -2.633 1.00 0.00 C ATOM 185 CD GLU A 74 -2.573 -15.451 -2.666 1.00 0.00 C ATOM 186 OE1 GLU A 74 -3.308 -15.232 -1.681 1.00 0.00 O ATOM 187 OE2 GLU A 74 -2.961 -16.050 -3.690 1.00 0.00 O ATOM 0 H GLU A 74 -0.426 -12.004 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.797 -13.514 -3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.036 -13.141 -2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.276 -13.010 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.589 -15.375 -3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.662 -15.283 -1.717 1.00 0.00 H new ATOM 194 N ARG A 75 -3.911 -11.691 -2.717 1.00 0.00 N ATOM 195 CA ARG A 75 -4.646 -10.575 -2.144 1.00 0.00 C ATOM 196 C ARG A 75 -4.213 -10.305 -0.702 1.00 0.00 C ATOM 197 O ARG A 75 -5.028 -10.332 0.216 1.00 0.00 O ATOM 198 CB ARG A 75 -6.147 -10.872 -2.201 1.00 0.00 C ATOM 199 CG ARG A 75 -6.899 -10.042 -3.230 1.00 0.00 C ATOM 200 CD ARG A 75 -6.635 -10.533 -4.645 1.00 0.00 C ATOM 201 NE ARG A 75 -7.309 -11.805 -4.919 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.479 -11.921 -5.553 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.149 -10.848 -5.956 1.00 0.00 N ATOM 204 NH2 ARG A 75 -8.988 -13.126 -5.776 1.00 0.00 N ATOM 0 H ARG A 75 -4.435 -12.565 -2.759 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.427 -9.680 -2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.290 -11.929 -2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.581 -10.694 -1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.968 -10.085 -3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.600 -8.997 -3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.974 -9.782 -5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.562 -10.652 -4.793 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.853 -12.661 -4.604 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.772 -9.916 -5.783 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.041 -10.955 -6.439 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.486 -13.957 -5.464 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.881 -13.221 -6.260 1.00 0.00 H new ATOM 218 N CYS A 76 -2.929 -10.000 -0.535 1.00 0.00 N ATOM 219 CA CYS A 76 -2.340 -9.689 0.768 1.00 0.00 C ATOM 220 C CYS A 76 -2.787 -10.647 1.887 1.00 0.00 C ATOM 221 O CYS A 76 -2.059 -11.577 2.237 1.00 0.00 O ATOM 222 CB CYS A 76 -2.644 -8.234 1.138 1.00 0.00 C ATOM 223 SG CYS A 76 -1.527 -7.535 2.373 1.00 0.00 S ATOM 0 H CYS A 76 -2.261 -9.961 -1.305 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.263 -9.828 0.674 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.597 -7.624 0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.666 -8.172 1.512 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.884 -6.313 2.639 1.00 0.00 H new ATOM 228 N GLY A 77 -3.972 -10.421 2.451 1.00 0.00 N ATOM 229 CA GLY A 77 -4.450 -11.267 3.528 1.00 0.00 C ATOM 230 C GLY A 77 -4.423 -10.546 4.861 1.00 0.00 C ATOM 231 O GLY A 77 -5.193 -10.866 5.768 1.00 0.00 O ATOM 0 H GLY A 77 -4.606 -9.669 2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.467 -11.593 3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.834 -12.164 3.587 1.00 0.00 H new ATOM 235 N ARG A 78 -3.523 -9.574 4.980 1.00 0.00 N ATOM 236 CA ARG A 78 -3.402 -8.789 6.200 1.00 0.00 C ATOM 237 C ARG A 78 -4.503 -7.736 6.243 1.00 0.00 C ATOM 238 O ARG A 78 -4.759 -7.055 5.251 1.00 0.00 O ATOM 239 CB ARG A 78 -2.027 -8.120 6.274 1.00 0.00 C ATOM 240 CG ARG A 78 -1.678 -7.597 7.657 1.00 0.00 C ATOM 241 CD ARG A 78 -0.465 -6.681 7.617 1.00 0.00 C ATOM 242 NE ARG A 78 -0.113 -6.178 8.947 1.00 0.00 N ATOM 243 CZ ARG A 78 0.926 -6.600 9.674 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.729 -7.568 9.237 1.00 0.00 N ATOM 245 NH2 ARG A 78 1.159 -6.054 10.860 1.00 0.00 N ATOM 0 H ARG A 78 -2.867 -9.312 4.244 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.506 -9.453 7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.267 -8.836 5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.996 -7.294 5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.530 -7.056 8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.480 -8.435 8.325 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.384 -7.221 7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.667 -5.840 6.953 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.705 -5.451 9.348 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.557 -8.003 8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.516 -7.874 9.809 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.547 -5.317 11.211 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.950 -6.371 11.421 1.00 0.00 H new ATOM 259 N ALA A 79 -5.150 -7.604 7.390 1.00 0.00 N ATOM 260 CA ALA A 79 -6.237 -6.649 7.536 1.00 0.00 C ATOM 261 C ALA A 79 -5.797 -5.225 7.184 1.00 0.00 C ATOM 262 O ALA A 79 -4.606 -4.909 7.200 1.00 0.00 O ATOM 263 CB ALA A 79 -6.799 -6.709 8.943 1.00 0.00 C ATOM 0 H ALA A 79 -4.943 -8.144 8.230 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.021 -6.925 6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.612 -5.990 9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.176 -7.712 9.142 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.013 -6.468 9.659 1.00 0.00 H new ATOM 269 N ALA A 80 -6.771 -4.373 6.863 1.00 0.00 N ATOM 270 CA ALA A 80 -6.496 -2.983 6.503 1.00 0.00 C ATOM 271 C ALA A 80 -6.110 -2.163 7.730 1.00 0.00 C ATOM 272 O ALA A 80 -6.399 -2.552 8.861 1.00 0.00 O ATOM 273 CB ALA A 80 -7.703 -2.368 5.811 1.00 0.00 C ATOM 0 H ALA A 80 -7.760 -4.623 6.845 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.652 -2.973 5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.484 -1.333 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.930 -2.931 4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.562 -2.398 6.482 1.00 0.00 H new ATOM 279 N GLY A 81 -5.468 -1.018 7.501 1.00 0.00 N ATOM 280 CA GLY A 81 -5.041 -0.183 8.608 1.00 0.00 C ATOM 281 C GLY A 81 -5.597 1.230 8.569 1.00 0.00 C ATOM 282 O GLY A 81 -6.808 1.432 8.471 1.00 0.00 O ATOM 0 H GLY A 81 -5.238 -0.658 6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.343 -0.655 9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.952 -0.134 8.613 1.00 0.00 H new ATOM 286 N ASN A 82 -4.698 2.210 8.642 1.00 0.00 N ATOM 287 CA ASN A 82 -5.086 3.617 8.657 1.00 0.00 C ATOM 288 C ASN A 82 -4.760 4.326 7.342 1.00 0.00 C ATOM 289 O ASN A 82 -5.510 5.194 6.897 1.00 0.00 O ATOM 290 CB ASN A 82 -4.380 4.320 9.819 1.00 0.00 C ATOM 291 CG ASN A 82 -4.782 5.774 9.960 1.00 0.00 C ATOM 292 OD1 ASN A 82 -4.073 6.674 9.508 1.00 0.00 O ATOM 293 ND2 ASN A 82 -5.926 6.012 10.590 1.00 0.00 N ATOM 0 H ASN A 82 -3.691 2.053 8.692 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.167 3.664 8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.606 3.794 10.747 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.302 4.259 9.673 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.249 6.971 10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.482 5.236 10.949 1.00 0.00 H new ATOM 300 N ALA A 83 -3.643 3.959 6.726 1.00 0.00 N ATOM 301 CA ALA A 83 -3.226 4.579 5.471 1.00 0.00 C ATOM 302 C ALA A 83 -4.209 4.283 4.343 1.00 0.00 C ATOM 303 O ALA A 83 -4.923 3.280 4.370 1.00 0.00 O ATOM 304 CB ALA A 83 -1.831 4.111 5.090 1.00 0.00 C ATOM 0 H ALA A 83 -3.010 3.238 7.072 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.212 5.658 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.533 4.581 4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.127 4.388 5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.831 3.028 4.969 1.00 0.00 H new ATOM 310 N SER A 84 -4.236 5.167 3.350 1.00 0.00 N ATOM 311 CA SER A 84 -5.119 5.004 2.201 1.00 0.00 C ATOM 312 C SER A 84 -4.313 4.976 0.908 1.00 0.00 C ATOM 313 O SER A 84 -3.126 5.299 0.899 1.00 0.00 O ATOM 314 CB SER A 84 -6.137 6.145 2.143 1.00 0.00 C ATOM 315 OG SER A 84 -5.545 7.330 1.634 1.00 0.00 O ATOM 0 H SER A 84 -3.655 6.005 3.319 1.00 0.00 H new ATOM 0 HA SER A 84 -5.648 4.058 2.312 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.978 5.855 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.535 6.333 3.140 1.00 0.00 H new ATOM 0 HG SER A 84 -6.215 8.044 1.605 1.00 0.00 H new ATOM 321 N PHE A 85 -4.964 4.583 -0.178 1.00 0.00 N ATOM 322 CA PHE A 85 -4.312 4.530 -1.480 1.00 0.00 C ATOM 323 C PHE A 85 -4.480 5.863 -2.194 1.00 0.00 C ATOM 324 O PHE A 85 -5.582 6.222 -2.608 1.00 0.00 O ATOM 325 CB PHE A 85 -4.909 3.403 -2.318 1.00 0.00 C ATOM 326 CG PHE A 85 -4.198 3.151 -3.617 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.945 2.557 -3.637 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.800 3.478 -4.820 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.307 2.298 -4.835 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.171 3.213 -6.019 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.925 2.623 -6.027 1.00 0.00 C ATOM 0 H PHE A 85 -5.943 4.296 -0.184 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.249 4.335 -1.340 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.901 2.486 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.953 3.637 -2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.463 2.294 -2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.773 3.946 -4.820 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.328 1.843 -4.839 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.654 3.468 -6.951 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.432 2.415 -6.965 1.00 0.00 H new ATOM 341 N SER A 86 -3.384 6.597 -2.330 1.00 0.00 N ATOM 342 CA SER A 86 -3.419 7.903 -2.972 1.00 0.00 C ATOM 343 C SER A 86 -2.541 7.931 -4.226 1.00 0.00 C ATOM 344 O SER A 86 -2.284 6.896 -4.839 1.00 0.00 O ATOM 345 CB SER A 86 -2.961 8.969 -1.976 1.00 0.00 C ATOM 346 OG SER A 86 -1.567 8.876 -1.738 1.00 0.00 O ATOM 0 H SER A 86 -2.461 6.310 -2.005 1.00 0.00 H new ATOM 0 HA SER A 86 -4.443 8.110 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.202 9.960 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.502 8.851 -1.037 1.00 0.00 H new ATOM 0 HG SER A 86 -1.297 9.569 -1.099 1.00 0.00 H new ATOM 352 N LYS A 87 -2.137 9.135 -4.627 1.00 0.00 N ATOM 353 CA LYS A 87 -1.283 9.329 -5.798 1.00 0.00 C ATOM 354 C LYS A 87 0.186 9.045 -5.475 1.00 0.00 C ATOM 355 O LYS A 87 0.860 8.289 -6.172 1.00 0.00 O ATOM 356 CB LYS A 87 -1.418 10.763 -6.313 1.00 0.00 C ATOM 357 CG LYS A 87 -2.830 11.325 -6.231 1.00 0.00 C ATOM 358 CD LYS A 87 -2.842 12.819 -6.498 1.00 0.00 C ATOM 359 CE LYS A 87 -3.567 13.579 -5.398 1.00 0.00 C ATOM 360 NZ LYS A 87 -2.862 13.475 -4.090 1.00 0.00 N ATOM 0 H LYS A 87 -2.391 10.001 -4.151 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.609 8.626 -6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.749 11.407 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.085 10.797 -7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.469 10.818 -6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.247 11.126 -5.244 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.818 13.183 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.325 13.014 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.655 14.628 -5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.580 13.190 -5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.158 14.258 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.100 12.569 -3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.835 13.525 -4.244 1.00 0.00 H new ATOM 374 N ARG A 88 0.669 9.678 -4.412 1.00 0.00 N ATOM 375 CA ARG A 88 2.057 9.534 -3.978 1.00 0.00 C ATOM 376 C ARG A 88 2.438 8.065 -3.836 1.00 0.00 C ATOM 377 O ARG A 88 3.520 7.659 -4.262 1.00 0.00 O ATOM 378 CB ARG A 88 2.248 10.302 -2.658 1.00 0.00 C ATOM 379 CG ARG A 88 3.451 9.878 -1.819 1.00 0.00 C ATOM 380 CD ARG A 88 3.106 8.767 -0.834 1.00 0.00 C ATOM 381 NE ARG A 88 1.764 8.912 -0.271 1.00 0.00 N ATOM 382 CZ ARG A 88 1.452 9.744 0.718 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.376 10.533 1.246 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.206 9.791 1.173 1.00 0.00 N ATOM 0 H ARG A 88 0.114 10.303 -3.828 1.00 0.00 H new ATOM 0 HA ARG A 88 2.721 9.956 -4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.342 11.364 -2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.347 10.184 -2.056 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.250 9.541 -2.479 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.832 10.740 -1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.183 7.803 -1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.837 8.763 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 88 1.018 8.337 -0.663 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.333 10.504 0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.131 11.169 2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.509 9.190 0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.036 10.428 1.932 1.00 0.00 H new ATOM 398 N ILE A 89 1.557 7.265 -3.246 1.00 0.00 N ATOM 399 CA ILE A 89 1.834 5.844 -3.087 1.00 0.00 C ATOM 400 C ILE A 89 1.924 5.175 -4.455 1.00 0.00 C ATOM 401 O ILE A 89 2.738 4.277 -4.665 1.00 0.00 O ATOM 402 CB ILE A 89 0.765 5.135 -2.234 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.661 5.804 -0.859 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.099 3.655 -2.100 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.105 4.997 0.168 1.00 0.00 C ATOM 0 H ILE A 89 0.658 7.571 -2.875 1.00 0.00 H new ATOM 0 HA ILE A 89 2.787 5.755 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.203 5.221 -2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.666 5.991 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.179 6.775 -0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.337 3.163 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.128 3.198 -3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.071 3.543 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.132 5.541 1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.123 4.832 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.388 4.036 0.317 1.00 0.00 H new ATOM 417 N GLN A 90 1.084 5.625 -5.386 1.00 0.00 N ATOM 418 CA GLN A 90 1.086 5.088 -6.743 1.00 0.00 C ATOM 419 C GLN A 90 2.413 5.411 -7.408 1.00 0.00 C ATOM 420 O GLN A 90 3.109 4.532 -7.919 1.00 0.00 O ATOM 421 CB GLN A 90 -0.060 5.705 -7.552 1.00 0.00 C ATOM 422 CG GLN A 90 0.007 5.422 -9.046 1.00 0.00 C ATOM 423 CD GLN A 90 0.264 6.673 -9.867 1.00 0.00 C ATOM 424 OE1 GLN A 90 0.932 7.601 -9.414 1.00 0.00 O ATOM 425 NE2 GLN A 90 -0.273 6.707 -11.081 1.00 0.00 N ATOM 0 H GLN A 90 0.395 6.359 -5.224 1.00 0.00 H new ATOM 0 HA GLN A 90 0.949 4.007 -6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.007 5.329 -7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.059 6.784 -7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.797 4.696 -9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.930 4.967 -9.368 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.821 5.916 -11.419 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.138 7.525 -11.676 1.00 0.00 H new ATOM 434 N LYS A 91 2.751 6.686 -7.369 1.00 0.00 N ATOM 435 CA LYS A 91 3.985 7.184 -7.930 1.00 0.00 C ATOM 436 C LYS A 91 5.174 6.439 -7.328 1.00 0.00 C ATOM 437 O LYS A 91 6.106 6.053 -8.035 1.00 0.00 O ATOM 438 CB LYS A 91 4.052 8.682 -7.648 1.00 0.00 C ATOM 439 CG LYS A 91 3.393 9.525 -8.730 1.00 0.00 C ATOM 440 CD LYS A 91 4.392 9.988 -9.776 1.00 0.00 C ATOM 441 CE LYS A 91 4.550 11.499 -9.752 1.00 0.00 C ATOM 442 NZ LYS A 91 4.630 12.026 -8.361 1.00 0.00 N ATOM 0 H LYS A 91 2.170 7.408 -6.943 1.00 0.00 H new ATOM 0 HA LYS A 91 4.020 7.018 -9.007 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.570 8.887 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.096 8.980 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.605 8.946 -9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.917 10.393 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.358 9.516 -9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.062 9.670 -10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.450 11.779 -10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.708 11.961 -10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.254 12.858 -8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.680 12.298 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.012 11.291 -7.733 1.00 0.00 H new ATOM 456 N SER A 92 5.128 6.229 -6.016 1.00 0.00 N ATOM 457 CA SER A 92 6.186 5.504 -5.329 1.00 0.00 C ATOM 458 C SER A 92 6.320 4.107 -5.921 1.00 0.00 C ATOM 459 O SER A 92 7.410 3.682 -6.290 1.00 0.00 O ATOM 460 CB SER A 92 5.897 5.416 -3.829 1.00 0.00 C ATOM 461 OG SER A 92 6.368 6.568 -3.150 1.00 0.00 O ATOM 0 H SER A 92 4.372 6.550 -5.411 1.00 0.00 H new ATOM 0 HA SER A 92 7.123 6.043 -5.464 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.824 5.308 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.372 4.527 -3.415 1.00 0.00 H new ATOM 0 HG SER A 92 6.170 6.488 -2.194 1.00 0.00 H new ATOM 467 N ILE A 93 5.196 3.401 -6.017 1.00 0.00 N ATOM 468 CA ILE A 93 5.184 2.057 -6.580 1.00 0.00 C ATOM 469 C ILE A 93 5.649 2.085 -8.034 1.00 0.00 C ATOM 470 O ILE A 93 6.252 1.131 -8.523 1.00 0.00 O ATOM 471 CB ILE A 93 3.771 1.433 -6.509 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.316 1.315 -5.053 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.747 0.069 -7.186 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.840 1.016 -4.904 1.00 0.00 C ATOM 0 H ILE A 93 4.283 3.739 -5.712 1.00 0.00 H new ATOM 0 HA ILE A 93 5.867 1.447 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 93 3.080 2.088 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.889 0.527 -4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.544 2.245 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.743 -0.351 -7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.031 0.177 -8.233 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.450 -0.597 -6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.588 0.946 -3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.259 1.815 -5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.609 0.071 -5.395 1.00 0.00 H new ATOM 486 N SER A 94 5.362 3.192 -8.715 1.00 0.00 N ATOM 487 CA SER A 94 5.744 3.357 -10.112 1.00 0.00 C ATOM 488 C SER A 94 7.260 3.341 -10.279 1.00 0.00 C ATOM 489 O SER A 94 7.790 2.629 -11.129 1.00 0.00 O ATOM 490 CB SER A 94 5.171 4.661 -10.668 1.00 0.00 C ATOM 491 OG SER A 94 5.922 5.115 -11.780 1.00 0.00 O ATOM 0 H SER A 94 4.865 3.989 -8.319 1.00 0.00 H new ATOM 0 HA SER A 94 5.332 2.517 -10.671 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.133 4.509 -10.964 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.172 5.423 -9.889 1.00 0.00 H new ATOM 0 HG SER A 94 5.534 5.949 -12.118 1.00 0.00 H new ATOM 497 N GLN A 95 7.954 4.136 -9.469 1.00 0.00 N ATOM 498 CA GLN A 95 9.408 4.198 -9.537 1.00 0.00 C ATOM 499 C GLN A 95 10.014 2.884 -9.056 1.00 0.00 C ATOM 500 O GLN A 95 11.082 2.474 -9.510 1.00 0.00 O ATOM 501 CB GLN A 95 9.938 5.360 -8.696 1.00 0.00 C ATOM 502 CG GLN A 95 11.343 5.798 -9.082 1.00 0.00 C ATOM 503 CD GLN A 95 11.351 6.789 -10.231 1.00 0.00 C ATOM 504 OE1 GLN A 95 10.434 6.814 -11.052 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.394 7.609 -10.298 1.00 0.00 N ATOM 0 H GLN A 95 7.535 4.742 -8.763 1.00 0.00 H new ATOM 0 HA GLN A 95 9.697 4.362 -10.575 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.261 6.209 -8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.932 5.070 -7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.830 6.247 -8.216 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.929 4.922 -9.359 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.132 7.554 -9.596 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.457 8.294 -11.051 1.00 0.00 H new ATOM 514 N LYS A 96 9.320 2.229 -8.130 1.00 0.00 N ATOM 515 CA LYS A 96 9.778 0.955 -7.591 1.00 0.00 C ATOM 516 C LYS A 96 9.604 -0.156 -8.619 1.00 0.00 C ATOM 517 O LYS A 96 10.460 -1.030 -8.755 1.00 0.00 O ATOM 518 CB LYS A 96 9.002 0.600 -6.318 1.00 0.00 C ATOM 519 CG LYS A 96 9.278 1.534 -5.153 1.00 0.00 C ATOM 520 CD LYS A 96 8.506 1.125 -3.907 1.00 0.00 C ATOM 521 CE LYS A 96 9.111 -0.109 -3.258 1.00 0.00 C ATOM 522 NZ LYS A 96 10.596 -0.121 -3.365 1.00 0.00 N ATOM 0 H LYS A 96 8.439 2.560 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 96 10.836 1.053 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.935 0.614 -6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.253 -0.419 -6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.346 1.537 -4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.007 2.552 -5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.503 1.949 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.467 0.927 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.822 -0.145 -2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.706 -1.004 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.985 -0.837 -2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.872 -0.350 -4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.970 0.815 -3.110 1.00 0.00 H new ATOM 536 N LYS A 97 8.493 -0.109 -9.350 1.00 0.00 N ATOM 537 CA LYS A 97 8.197 -1.126 -10.349 1.00 0.00 C ATOM 538 C LYS A 97 8.161 -2.500 -9.692 1.00 0.00 C ATOM 539 O LYS A 97 9.054 -3.323 -9.893 1.00 0.00 O ATOM 540 CB LYS A 97 9.234 -1.104 -11.476 1.00 0.00 C ATOM 541 CG LYS A 97 9.021 0.010 -12.493 1.00 0.00 C ATOM 542 CD LYS A 97 8.382 -0.511 -13.771 1.00 0.00 C ATOM 543 CE LYS A 97 8.445 0.519 -14.891 1.00 0.00 C ATOM 544 NZ LYS A 97 9.809 0.617 -15.483 1.00 0.00 N ATOM 0 H LYS A 97 7.786 0.622 -9.268 1.00 0.00 H new ATOM 0 HA LYS A 97 7.221 -0.911 -10.784 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.227 -0.998 -11.040 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.213 -2.063 -11.993 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.388 0.784 -12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.978 0.476 -12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.889 -1.423 -14.086 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.342 -0.775 -13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.730 0.252 -15.669 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.147 1.494 -14.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.785 1.253 -16.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.469 0.994 -14.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.126 -0.327 -15.784 1.00 0.00 H new ATOM 558 N VAL A 98 7.128 -2.729 -8.890 1.00 0.00 N ATOM 559 CA VAL A 98 6.967 -3.992 -8.182 1.00 0.00 C ATOM 560 C VAL A 98 5.613 -4.621 -8.486 1.00 0.00 C ATOM 561 O VAL A 98 4.681 -3.934 -8.904 1.00 0.00 O ATOM 562 CB VAL A 98 7.100 -3.792 -6.661 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.539 -3.472 -6.289 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.165 -2.689 -6.187 1.00 0.00 C ATOM 0 H VAL A 98 6.386 -2.052 -8.714 1.00 0.00 H new ATOM 0 HA VAL A 98 7.757 -4.659 -8.527 1.00 0.00 H new ATOM 0 HB VAL A 98 6.817 -4.720 -6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.614 -3.334 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.185 -4.294 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.851 -2.558 -6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.271 -2.560 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.418 -1.756 -6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.135 -2.960 -6.420 1.00 0.00 H new ATOM 574 N LYS A 99 5.503 -5.929 -8.267 1.00 0.00 N ATOM 575 CA LYS A 99 4.255 -6.641 -8.524 1.00 0.00 C ATOM 576 C LYS A 99 3.198 -6.298 -7.479 1.00 0.00 C ATOM 577 O LYS A 99 2.695 -7.176 -6.778 1.00 0.00 O ATOM 578 CB LYS A 99 4.490 -8.152 -8.552 1.00 0.00 C ATOM 579 CG LYS A 99 5.318 -8.612 -9.740 1.00 0.00 C ATOM 580 CD LYS A 99 4.853 -9.968 -10.246 1.00 0.00 C ATOM 581 CE LYS A 99 6.002 -10.957 -10.337 1.00 0.00 C ATOM 582 NZ LYS A 99 6.643 -11.189 -9.013 1.00 0.00 N ATOM 0 H LYS A 99 6.260 -6.515 -7.914 1.00 0.00 H new ATOM 0 HA LYS A 99 3.889 -6.322 -9.500 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.991 -8.451 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.527 -8.662 -8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.246 -7.878 -10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.368 -8.669 -9.454 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.086 -10.362 -9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.394 -9.852 -11.228 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.635 -11.904 -10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.747 -10.584 -11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.056 -12.143 -8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.392 -10.483 -8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.929 -11.103 -8.262 1.00 0.00 H new ATOM 596 N ILE A 100 2.860 -5.018 -7.389 1.00 0.00 N ATOM 597 CA ILE A 100 1.861 -4.550 -6.444 1.00 0.00 C ATOM 598 C ILE A 100 0.960 -3.521 -7.108 1.00 0.00 C ATOM 599 O ILE A 100 1.388 -2.407 -7.409 1.00 0.00 O ATOM 600 CB ILE A 100 2.504 -3.928 -5.183 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.340 -4.973 -4.441 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.438 -3.351 -4.259 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.954 -4.453 -3.159 1.00 0.00 C ATOM 0 H ILE A 100 3.268 -4.282 -7.965 1.00 0.00 H new ATOM 0 HA ILE A 100 1.276 -5.416 -6.133 1.00 0.00 H new ATOM 0 HB ILE A 100 3.158 -3.116 -5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.712 -5.833 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.135 -5.325 -5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.914 -2.919 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.880 -2.577 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.756 -4.144 -3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.533 -5.246 -2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.609 -3.611 -3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.163 -4.127 -2.483 1.00 0.00 H new ATOM 615 N GLU A 101 -0.282 -3.907 -7.352 1.00 0.00 N ATOM 616 CA GLU A 101 -1.241 -3.013 -7.977 1.00 0.00 C ATOM 617 C GLU A 101 -2.600 -3.150 -7.314 1.00 0.00 C ATOM 618 O GLU A 101 -2.848 -4.099 -6.570 1.00 0.00 O ATOM 619 CB GLU A 101 -1.355 -3.299 -9.474 1.00 0.00 C ATOM 620 CG GLU A 101 -2.004 -4.634 -9.795 1.00 0.00 C ATOM 621 CD GLU A 101 -2.907 -4.559 -11.008 1.00 0.00 C ATOM 622 OE1 GLU A 101 -2.381 -4.539 -12.140 1.00 0.00 O ATOM 623 OE2 GLU A 101 -4.142 -4.517 -10.827 1.00 0.00 O ATOM 0 H GLU A 101 -0.648 -4.832 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.887 -1.990 -7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.932 -2.503 -9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.359 -3.274 -9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.228 -5.380 -9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.583 -4.970 -8.935 1.00 0.00 H new ATOM 630 N LEU A 102 -3.481 -2.205 -7.594 1.00 0.00 N ATOM 631 CA LEU A 102 -4.807 -2.219 -7.007 1.00 0.00 C ATOM 632 C LEU A 102 -5.744 -3.174 -7.739 1.00 0.00 C ATOM 633 O LEU A 102 -5.679 -3.317 -8.960 1.00 0.00 O ATOM 634 CB LEU A 102 -5.407 -0.815 -7.013 1.00 0.00 C ATOM 635 CG LEU A 102 -6.796 -0.733 -6.394 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.814 0.212 -5.209 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.829 -0.327 -7.428 1.00 0.00 C ATOM 0 H LEU A 102 -3.302 -1.422 -8.222 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.700 -2.569 -5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.740 -0.143 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.457 -0.457 -8.041 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.056 -1.727 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.819 0.249 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.116 -0.142 -4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.520 1.210 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.812 -0.276 -6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.570 0.650 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.848 -1.063 -8.232 1.00 0.00 H new ATOM 649 N ASP A 103 -6.606 -3.832 -6.973 1.00 0.00 N ATOM 650 CA ASP A 103 -7.591 -4.748 -7.533 1.00 0.00 C ATOM 651 C ASP A 103 -8.929 -4.032 -7.626 1.00 0.00 C ATOM 652 O ASP A 103 -9.492 -3.625 -6.611 1.00 0.00 O ATOM 653 CB ASP A 103 -7.735 -5.987 -6.657 1.00 0.00 C ATOM 654 CG ASP A 103 -8.644 -7.035 -7.279 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.577 -6.650 -8.015 1.00 0.00 O ATOM 656 OD2 ASP A 103 -8.423 -8.239 -7.029 1.00 0.00 O ATOM 0 H ASP A 103 -6.642 -3.747 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.262 -5.064 -8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.751 -6.421 -6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.132 -5.697 -5.684 1.00 0.00 H new ATOM 661 N LYS A 104 -9.435 -3.874 -8.839 1.00 0.00 N ATOM 662 CA LYS A 104 -10.698 -3.179 -9.046 1.00 0.00 C ATOM 663 C LYS A 104 -11.891 -4.046 -8.655 1.00 0.00 C ATOM 664 O LYS A 104 -12.985 -3.534 -8.416 1.00 0.00 O ATOM 665 CB LYS A 104 -10.811 -2.729 -10.500 1.00 0.00 C ATOM 666 CG LYS A 104 -9.610 -1.922 -10.965 1.00 0.00 C ATOM 667 CD LYS A 104 -10.018 -0.797 -11.901 1.00 0.00 C ATOM 668 CE LYS A 104 -10.510 -1.329 -13.236 1.00 0.00 C ATOM 669 NZ LYS A 104 -9.420 -1.983 -14.010 1.00 0.00 N ATOM 0 H LYS A 104 -8.993 -4.216 -9.693 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.711 -2.302 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.923 -3.605 -11.139 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.714 -2.130 -10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.094 -1.506 -10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.904 -2.579 -11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.803 -0.202 -11.435 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.169 -0.133 -12.064 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.315 -2.045 -13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.929 -0.510 -13.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.720 -2.103 -14.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.567 -1.390 -13.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.211 -2.914 -13.596 1.00 0.00 H new ATOM 683 N SER A 105 -11.681 -5.356 -8.579 1.00 0.00 N ATOM 684 CA SER A 105 -12.752 -6.273 -8.207 1.00 0.00 C ATOM 685 C SER A 105 -12.904 -6.364 -6.687 1.00 0.00 C ATOM 686 O SER A 105 -13.666 -7.193 -6.187 1.00 0.00 O ATOM 687 CB SER A 105 -12.484 -7.667 -8.781 1.00 0.00 C ATOM 688 OG SER A 105 -11.436 -8.314 -8.080 1.00 0.00 O ATOM 0 H SER A 105 -10.785 -5.804 -8.769 1.00 0.00 H new ATOM 0 HA SER A 105 -13.680 -5.882 -8.623 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.391 -8.269 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.224 -7.585 -9.836 1.00 0.00 H new ATOM 0 HG SER A 105 -10.575 -7.935 -8.356 1.00 0.00 H new ATOM 694 N ALA A 106 -12.187 -5.510 -5.951 1.00 0.00 N ATOM 695 CA ALA A 106 -12.253 -5.524 -4.495 1.00 0.00 C ATOM 696 C ALA A 106 -13.551 -4.895 -3.983 1.00 0.00 C ATOM 697 O ALA A 106 -14.598 -5.543 -3.996 1.00 0.00 O ATOM 698 CB ALA A 106 -11.033 -4.834 -3.895 1.00 0.00 C ATOM 0 H ALA A 106 -11.559 -4.806 -6.340 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.250 -6.565 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.101 -4.855 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.129 -5.353 -4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.996 -3.799 -4.236 1.00 0.00 H new ATOM 704 N ARG A 107 -13.492 -3.629 -3.552 1.00 0.00 N ATOM 705 CA ARG A 107 -14.664 -2.948 -3.022 1.00 0.00 C ATOM 706 C ARG A 107 -14.294 -1.555 -2.517 1.00 0.00 C ATOM 707 O ARG A 107 -14.761 -0.543 -3.038 1.00 0.00 O ATOM 708 CB ARG A 107 -15.262 -3.758 -1.867 1.00 0.00 C ATOM 709 CG ARG A 107 -16.764 -3.591 -1.716 1.00 0.00 C ATOM 710 CD ARG A 107 -17.270 -4.252 -0.444 1.00 0.00 C ATOM 711 NE ARG A 107 -18.714 -4.105 -0.292 1.00 0.00 N ATOM 712 CZ ARG A 107 -19.297 -3.010 0.184 1.00 0.00 C ATOM 713 NH1 ARG A 107 -18.560 -1.973 0.560 1.00 0.00 N ATOM 714 NH2 ARG A 107 -20.617 -2.949 0.282 1.00 0.00 N ATOM 0 H ARG A 107 -12.644 -3.062 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.396 -2.854 -3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.037 -4.813 -2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.777 -3.460 -0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.014 -2.530 -1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -17.269 -4.025 -2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.012 -5.311 -0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -16.768 -3.813 0.418 1.00 0.00 H new ATOM 0 HE ARG A 107 -19.309 -4.887 -0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.544 -2.015 0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -19.010 -1.133 0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -21.187 -3.743 -0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -21.063 -2.108 0.648 1.00 0.00 H new ATOM 728 N HIS A 108 -13.442 -1.525 -1.501 1.00 0.00 N ATOM 729 CA HIS A 108 -12.999 -0.278 -0.885 1.00 0.00 C ATOM 730 C HIS A 108 -11.494 -0.077 -1.093 1.00 0.00 C ATOM 731 O HIS A 108 -10.922 -0.592 -2.053 1.00 0.00 O ATOM 732 CB HIS A 108 -13.336 -0.330 0.608 1.00 0.00 C ATOM 733 CG HIS A 108 -12.696 -1.488 1.307 1.00 0.00 C ATOM 734 ND1 HIS A 108 -11.352 -1.541 1.607 1.00 0.00 N ATOM 735 CD2 HIS A 108 -13.221 -2.654 1.751 1.00 0.00 C ATOM 736 CE1 HIS A 108 -11.080 -2.684 2.200 1.00 0.00 C ATOM 737 NE2 HIS A 108 -12.195 -3.378 2.304 1.00 0.00 N ATOM 0 H HIS A 108 -13.038 -2.362 -1.080 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.510 0.565 -1.350 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -13.013 0.597 1.081 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.417 -0.391 0.730 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -10.673 -0.808 1.401 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -14.255 -2.958 1.683 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -10.106 -3.000 2.544 1.00 0.00 H new ATOM 746 N LEU A 109 -10.861 0.694 -0.208 1.00 0.00 N ATOM 747 CA LEU A 109 -9.426 0.935 -0.285 1.00 0.00 C ATOM 748 C LEU A 109 -8.759 0.589 1.063 1.00 0.00 C ATOM 749 O LEU A 109 -8.825 -0.559 1.503 1.00 0.00 O ATOM 750 CB LEU A 109 -9.163 2.392 -0.688 1.00 0.00 C ATOM 751 CG LEU A 109 -9.852 2.851 -1.969 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.568 4.324 -2.220 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.394 2.009 -3.150 1.00 0.00 C ATOM 0 H LEU A 109 -11.324 1.162 0.571 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.988 0.291 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.482 3.040 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.088 2.531 -0.804 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.928 2.721 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.065 4.639 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.942 4.914 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.493 4.475 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.895 2.350 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.316 2.110 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.643 0.963 -2.969 1.00 0.00 H new ATOM 765 N TYR A 110 -8.126 1.569 1.723 1.00 0.00 N ATOM 766 CA TYR A 110 -7.482 1.332 3.008 1.00 0.00 C ATOM 767 C TYR A 110 -6.462 0.203 2.928 1.00 0.00 C ATOM 768 O TYR A 110 -6.813 -0.975 3.003 1.00 0.00 O ATOM 769 CB TYR A 110 -8.531 1.017 4.074 1.00 0.00 C ATOM 770 CG TYR A 110 -9.395 2.204 4.432 1.00 0.00 C ATOM 771 CD1 TYR A 110 -8.973 3.134 5.373 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.631 2.397 3.828 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.757 4.222 5.704 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.421 3.483 4.152 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.979 4.393 5.090 1.00 0.00 C ATOM 776 OH TYR A 110 -11.764 5.475 5.416 1.00 0.00 O ATOM 0 H TYR A 110 -8.050 2.528 1.384 1.00 0.00 H new ATOM 0 HA TYR A 110 -6.949 2.242 3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.168 0.207 3.719 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.029 0.658 4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -8.015 3.004 5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -10.980 1.687 3.093 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.414 4.935 6.440 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.380 3.619 3.673 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.592 5.448 4.893 1.00 0.00 H new ATOM 786 N ILE A 111 -5.198 0.575 2.777 1.00 0.00 N ATOM 787 CA ILE A 111 -4.119 -0.397 2.700 1.00 0.00 C ATOM 788 C ILE A 111 -3.605 -0.732 4.095 1.00 0.00 C ATOM 789 O ILE A 111 -3.748 0.060 5.025 1.00 0.00 O ATOM 790 CB ILE A 111 -2.946 0.120 1.844 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.386 1.417 2.431 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.394 0.333 0.405 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.226 1.985 1.645 1.00 0.00 C ATOM 0 H ILE A 111 -4.895 1.546 2.705 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.526 -1.292 2.229 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.154 -0.629 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.183 2.160 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.064 1.233 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.555 0.698 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.747 -0.611 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.201 1.065 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.880 2.904 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.412 1.260 1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.548 2.201 0.626 1.00 0.00 H new ATOM 805 N CYS A 112 -3.011 -1.909 4.235 1.00 0.00 N ATOM 806 CA CYS A 112 -2.475 -2.341 5.518 1.00 0.00 C ATOM 807 C CYS A 112 -1.186 -1.595 5.843 1.00 0.00 C ATOM 808 O CYS A 112 -0.579 -0.976 4.969 1.00 0.00 O ATOM 809 CB CYS A 112 -2.218 -3.847 5.503 1.00 0.00 C ATOM 810 SG CYS A 112 -1.180 -4.401 4.131 1.00 0.00 S ATOM 0 H CYS A 112 -2.888 -2.581 3.477 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.210 -2.114 6.290 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.745 -4.134 6.442 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.174 -4.368 5.455 1.00 0.00 H new ATOM 0 HG CYS A 112 -1.880 -4.416 3.036 1.00 0.00 H new ATOM 815 N ASP A 113 -0.777 -1.650 7.106 1.00 0.00 N ATOM 816 CA ASP A 113 0.446 -0.985 7.539 1.00 0.00 C ATOM 817 C ASP A 113 1.656 -1.609 6.854 1.00 0.00 C ATOM 818 O ASP A 113 2.639 -0.930 6.557 1.00 0.00 O ATOM 819 CB ASP A 113 0.595 -1.086 9.059 1.00 0.00 C ATOM 820 CG ASP A 113 -0.580 -0.477 9.798 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.637 -1.138 9.881 1.00 0.00 O ATOM 822 OD2 ASP A 113 -0.443 0.660 10.297 1.00 0.00 O ATOM 0 H ASP A 113 -1.273 -2.147 7.846 1.00 0.00 H new ATOM 0 HA ASP A 113 0.387 0.067 7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.695 -2.134 9.342 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.513 -0.584 9.365 1.00 0.00 H new ATOM 827 N TYR A 114 1.565 -2.910 6.602 1.00 0.00 N ATOM 828 CA TYR A 114 2.637 -3.652 5.951 1.00 0.00 C ATOM 829 C TYR A 114 3.060 -2.984 4.645 1.00 0.00 C ATOM 830 O TYR A 114 4.230 -2.647 4.461 1.00 0.00 O ATOM 831 CB TYR A 114 2.180 -5.090 5.687 1.00 0.00 C ATOM 832 CG TYR A 114 3.123 -5.891 4.814 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.448 -6.085 5.179 1.00 0.00 C ATOM 834 CD2 TYR A 114 2.682 -6.454 3.622 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.308 -6.817 4.383 1.00 0.00 C ATOM 836 CE2 TYR A 114 3.534 -7.187 2.821 1.00 0.00 C ATOM 837 CZ TYR A 114 4.846 -7.366 3.205 1.00 0.00 C ATOM 838 OH TYR A 114 5.698 -8.097 2.410 1.00 0.00 O ATOM 0 H TYR A 114 0.751 -3.477 6.842 1.00 0.00 H new ATOM 0 HA TYR A 114 3.502 -3.661 6.615 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.063 -5.603 6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.198 -5.066 5.215 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.813 -5.657 6.101 1.00 0.00 H new ATOM 0 HD2 TYR A 114 1.655 -6.315 3.317 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.336 -6.959 4.682 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.175 -7.618 1.898 1.00 0.00 H new ATOM 0 HH TYR A 114 5.215 -8.414 1.618 1.00 0.00 H new ATOM 848 N HIS A 115 2.103 -2.793 3.743 1.00 0.00 N ATOM 849 CA HIS A 115 2.388 -2.176 2.451 1.00 0.00 C ATOM 850 C HIS A 115 2.741 -0.697 2.598 1.00 0.00 C ATOM 851 O HIS A 115 3.625 -0.196 1.903 1.00 0.00 O ATOM 852 CB HIS A 115 1.200 -2.350 1.502 1.00 0.00 C ATOM 853 CG HIS A 115 1.151 -3.702 0.855 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.008 -4.465 0.869 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.122 -4.372 0.188 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.305 -5.574 0.215 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.576 -5.563 -0.217 1.00 0.00 N ATOM 0 H HIS A 115 1.127 -3.055 3.881 1.00 0.00 H new ATOM 0 HA HIS A 115 3.256 -2.682 2.028 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.275 -2.186 2.055 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.248 -1.585 0.727 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -0.886 -4.224 1.297 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.132 -4.033 0.010 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.387 -6.386 0.049 1.00 0.00 H new ATOM 865 N LYS A 116 2.055 0.001 3.498 1.00 0.00 N ATOM 866 CA LYS A 116 2.324 1.421 3.715 1.00 0.00 C ATOM 867 C LYS A 116 3.806 1.650 3.982 1.00 0.00 C ATOM 868 O LYS A 116 4.450 2.474 3.331 1.00 0.00 O ATOM 869 CB LYS A 116 1.512 1.958 4.895 1.00 0.00 C ATOM 870 CG LYS A 116 1.773 3.431 5.182 1.00 0.00 C ATOM 871 CD LYS A 116 1.336 3.823 6.585 1.00 0.00 C ATOM 872 CE LYS A 116 2.288 3.283 7.642 1.00 0.00 C ATOM 873 NZ LYS A 116 3.698 3.685 7.381 1.00 0.00 N ATOM 0 H LYS A 116 1.316 -0.387 4.084 1.00 0.00 H new ATOM 0 HA LYS A 116 2.031 1.954 2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.451 1.817 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.747 1.374 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.836 3.641 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 116 1.242 4.042 4.452 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.286 4.909 6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.331 3.444 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.983 3.646 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.220 2.195 7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 4.243 3.636 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 4.118 3.042 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.719 4.658 7.015 1.00 0.00 H new ATOM 887 N ASN A 117 4.339 0.909 4.946 1.00 0.00 N ATOM 888 CA ASN A 117 5.741 1.022 5.325 1.00 0.00 C ATOM 889 C ASN A 117 6.659 0.495 4.224 1.00 0.00 C ATOM 890 O ASN A 117 7.656 1.127 3.875 1.00 0.00 O ATOM 891 CB ASN A 117 5.984 0.253 6.626 1.00 0.00 C ATOM 892 CG ASN A 117 7.395 0.419 7.151 1.00 0.00 C ATOM 893 OD1 ASN A 117 8.071 1.401 6.849 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.844 -0.540 7.953 1.00 0.00 N ATOM 0 H ASN A 117 3.816 0.218 5.483 1.00 0.00 H new ATOM 0 HA ASN A 117 5.972 2.077 5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.277 0.595 7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.785 -0.806 6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.784 -0.479 8.345 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.249 -1.338 8.177 1.00 0.00 H new ATOM 901 N LEU A 118 6.308 -0.660 3.676 1.00 0.00 N ATOM 902 CA LEU A 118 7.096 -1.290 2.622 1.00 0.00 C ATOM 903 C LEU A 118 7.298 -0.353 1.429 1.00 0.00 C ATOM 904 O LEU A 118 8.361 -0.340 0.811 1.00 0.00 O ATOM 905 CB LEU A 118 6.398 -2.577 2.164 1.00 0.00 C ATOM 906 CG LEU A 118 7.275 -3.584 1.416 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.626 -4.960 1.426 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.522 -3.127 -0.013 1.00 0.00 C ATOM 0 H LEU A 118 5.476 -1.185 3.946 1.00 0.00 H new ATOM 0 HA LEU A 118 8.080 -1.524 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.978 -3.071 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.562 -2.304 1.520 1.00 0.00 H new ATOM 0 HG LEU A 118 8.236 -3.646 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.261 -5.666 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.499 -5.295 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.652 -4.907 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.147 -3.858 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.570 -3.034 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.026 -2.161 -0.004 1.00 0.00 H new ATOM 920 N ILE A 119 6.281 0.447 1.127 1.00 0.00 N ATOM 921 CA ILE A 119 6.330 1.358 -0.016 1.00 0.00 C ATOM 922 C ILE A 119 6.835 2.752 0.347 1.00 0.00 C ATOM 923 O ILE A 119 7.592 3.358 -0.409 1.00 0.00 O ATOM 924 CB ILE A 119 4.930 1.481 -0.652 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.479 0.108 -1.134 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.920 2.489 -1.795 1.00 0.00 C ATOM 927 CD1 ILE A 119 3.053 0.074 -1.640 1.00 0.00 C ATOM 0 H ILE A 119 5.411 0.485 1.657 1.00 0.00 H new ATOM 0 HA ILE A 119 7.040 0.928 -0.722 1.00 0.00 H new ATOM 0 HB ILE A 119 4.233 1.849 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.145 -0.223 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.581 -0.605 -0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.917 2.549 -2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.214 3.469 -1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.621 2.171 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.806 -0.937 -1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.376 0.373 -0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.948 0.761 -2.480 1.00 0.00 H new ATOM 939 N GLN A 120 6.416 3.254 1.495 1.00 0.00 N ATOM 940 CA GLN A 120 6.800 4.595 1.920 1.00 0.00 C ATOM 941 C GLN A 120 8.252 4.704 2.368 1.00 0.00 C ATOM 942 O GLN A 120 8.940 5.661 2.014 1.00 0.00 O ATOM 943 CB GLN A 120 5.906 5.063 3.068 1.00 0.00 C ATOM 944 CG GLN A 120 4.588 5.651 2.622 1.00 0.00 C ATOM 945 CD GLN A 120 4.170 6.831 3.476 1.00 0.00 C ATOM 946 OE1 GLN A 120 3.463 6.676 4.472 1.00 0.00 O ATOM 947 NE2 GLN A 120 4.614 8.022 3.092 1.00 0.00 N ATOM 0 H GLN A 120 5.812 2.758 2.150 1.00 0.00 H new ATOM 0 HA GLN A 120 6.678 5.227 1.041 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.710 4.219 3.729 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.445 5.808 3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.666 5.967 1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.816 4.882 2.664 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.198 8.105 2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.371 8.854 3.629 1.00 0.00 H new ATOM 956 N SER A 121 8.729 3.720 3.117 1.00 0.00 N ATOM 957 CA SER A 121 10.080 3.803 3.678 1.00 0.00 C ATOM 958 C SER A 121 11.172 3.173 2.812 1.00 0.00 C ATOM 959 O SER A 121 12.111 2.580 3.341 1.00 0.00 O ATOM 960 CB SER A 121 10.106 3.184 5.075 1.00 0.00 C ATOM 961 OG SER A 121 11.113 3.783 5.873 1.00 0.00 O ATOM 0 H SER A 121 8.217 2.869 3.350 1.00 0.00 H new ATOM 0 HA SER A 121 10.313 4.867 3.721 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.134 3.311 5.552 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.286 2.112 4.999 1.00 0.00 H new ATOM 0 HG SER A 121 11.982 3.686 5.430 1.00 0.00 H new