USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 922 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 12 GLN : amide:sc= -1.18 K(o=-2.3,f=-2.9) USER MOD Set 1.2: A 32 GLN : amide:sc= -1.07 K(o=-2.3,f=-6.3!) USER MOD Set 2.1: A 20 ASN : amide:sc= 0.521 K(o=1.1,f=-1.3) USER MOD Set 2.2: A 30 THR OG1 : rot 166:sc= 0.582 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.00961 X(o=-0.0096,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 142:sc= 1.18 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -5.96! C(o=-6!,f=-9.3!) USER MOD Single : A 38 GLN : amide:sc=-0.00395 X(o=-0.0039,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.065) USER MOD Single : A 55 MET CE :methyl 147:sc= -12.7! (180deg=-19.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 133:sc= -4.89! (180deg=-7.39!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 163:sc= 0 (180deg=-0.278) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.115 K(o=-0.11,f=-0.81) USER MOD Single : A 81 MET CE :methyl -176:sc= -18.1! (180deg=-18.2!) USER MOD Single : A 82 THR OG1 : rot -179:sc= 0.27 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 175:sc= -6.21! (180deg=-6.36!) USER MOD Single : A 91 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.69) USER MOD Single : A 93 SER OG : rot -81:sc= -0.765 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.277! USER MOD Single : A 101 HIS : no HD1:sc= -2.02 X(o=-2,f=-2.4) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -4.788 -9.438 11.580 1.00 0.00 N ATOM 50 CA GLU A 4 -4.754 -8.422 10.542 1.00 0.00 C ATOM 51 C GLU A 4 -3.460 -7.611 10.634 1.00 0.00 C ATOM 52 O GLU A 4 -3.040 -7.228 11.725 1.00 0.00 O ATOM 53 CB GLU A 4 -5.980 -7.511 10.626 1.00 0.00 C ATOM 54 CG GLU A 4 -6.003 -6.515 9.464 1.00 0.00 C ATOM 55 CD GLU A 4 -7.440 -6.140 9.093 1.00 0.00 C ATOM 56 OE1 GLU A 4 -8.332 -6.970 9.369 1.00 0.00 O ATOM 57 OE2 GLU A 4 -7.612 -5.031 8.543 1.00 0.00 O ATOM 0 HA GLU A 4 -4.778 -8.920 9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.888 -8.114 10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.972 -6.971 11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.448 -5.618 9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.501 -6.948 8.599 1.00 0.00 H new ATOM 64 N LYS A 5 -2.864 -7.374 9.475 1.00 0.00 N ATOM 65 CA LYS A 5 -1.626 -6.615 9.411 1.00 0.00 C ATOM 66 C LYS A 5 -1.666 -5.682 8.199 1.00 0.00 C ATOM 67 O LYS A 5 -2.428 -5.911 7.261 1.00 0.00 O ATOM 68 CB LYS A 5 -0.420 -7.556 9.423 1.00 0.00 C ATOM 69 CG LYS A 5 -0.269 -8.238 10.785 1.00 0.00 C ATOM 70 CD LYS A 5 0.949 -7.698 11.537 1.00 0.00 C ATOM 71 CE LYS A 5 2.168 -8.596 11.321 1.00 0.00 C ATOM 72 NZ LYS A 5 2.431 -9.412 12.528 1.00 0.00 N ATOM 0 H LYS A 5 -3.215 -7.694 8.572 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.519 -5.985 10.294 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.536 -8.311 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.485 -6.995 9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.169 -8.076 11.379 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.168 -9.315 10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.173 -6.687 11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.724 -7.633 12.602 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.000 -9.248 10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.041 -7.985 11.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.262 -10.016 12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.612 -8.785 13.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.604 -10.009 12.731 1.00 0.00 H new ATOM 86 N ILE A 6 -0.837 -4.651 8.259 1.00 0.00 N ATOM 87 CA ILE A 6 -0.768 -3.683 7.178 1.00 0.00 C ATOM 88 C ILE A 6 0.523 -2.872 7.306 1.00 0.00 C ATOM 89 O ILE A 6 1.040 -2.691 8.408 1.00 0.00 O ATOM 90 CB ILE A 6 -2.033 -2.823 7.147 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.930 -3.209 5.969 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.684 -1.333 7.138 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.403 -2.956 6.296 1.00 0.00 C ATOM 0 H ILE A 6 -0.207 -4.465 9.039 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.732 -4.191 6.214 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.599 -3.015 8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.646 -2.635 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.783 -4.261 5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.601 -0.745 7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.117 -1.087 8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.085 -1.105 6.256 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.019 -3.239 5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.690 -3.550 7.163 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.551 -1.899 6.516 1.00 0.00 H new ATOM 105 N LEU A 7 1.008 -2.406 6.165 1.00 0.00 N ATOM 106 CA LEU A 7 2.229 -1.619 6.136 1.00 0.00 C ATOM 107 C LEU A 7 2.004 -0.367 5.285 1.00 0.00 C ATOM 108 O LEU A 7 1.292 -0.413 4.283 1.00 0.00 O ATOM 109 CB LEU A 7 3.408 -2.476 5.669 1.00 0.00 C ATOM 110 CG LEU A 7 4.689 -2.362 6.497 1.00 0.00 C ATOM 111 CD1 LEU A 7 4.899 -3.611 7.356 1.00 0.00 C ATOM 112 CD2 LEU A 7 5.896 -2.072 5.603 1.00 0.00 C ATOM 0 H LEU A 7 0.577 -2.558 5.253 1.00 0.00 H new ATOM 0 HA LEU A 7 2.488 -1.281 7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.094 -3.520 5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.640 -2.208 4.638 1.00 0.00 H new ATOM 0 HG LEU A 7 4.582 -1.517 7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.816 -3.504 7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.054 -3.733 8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.976 -4.487 6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.793 -1.996 6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.017 -2.880 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.739 -1.133 5.072 1.00 0.00 H new ATOM 124 N ILE A 8 2.624 0.722 5.717 1.00 0.00 N ATOM 125 CA ILE A 8 2.500 1.984 5.008 1.00 0.00 C ATOM 126 C ILE A 8 3.888 2.460 4.577 1.00 0.00 C ATOM 127 O ILE A 8 4.762 2.675 5.415 1.00 0.00 O ATOM 128 CB ILE A 8 1.736 3.002 5.856 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.295 2.546 6.094 1.00 0.00 C ATOM 130 CG2 ILE A 8 1.800 4.396 5.229 1.00 0.00 C ATOM 131 CD1 ILE A 8 -0.285 3.195 7.353 1.00 0.00 C ATOM 0 H ILE A 8 3.213 0.756 6.549 1.00 0.00 H new ATOM 0 HA ILE A 8 1.911 1.855 4.100 1.00 0.00 H new ATOM 0 HB ILE A 8 2.219 3.065 6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.319 2.805 5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.265 1.461 6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.249 5.101 5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.840 4.714 5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.357 4.368 4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.310 2.854 7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.317 2.915 8.217 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.276 4.279 7.241 1.00 0.00 H new ATOM 143 N VAL A 9 4.048 2.612 3.270 1.00 0.00 N ATOM 144 CA VAL A 9 5.316 3.059 2.718 1.00 0.00 C ATOM 145 C VAL A 9 5.075 4.272 1.818 1.00 0.00 C ATOM 146 O VAL A 9 4.183 4.254 0.971 1.00 0.00 O ATOM 147 CB VAL A 9 6.007 1.903 1.993 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.455 2.260 1.648 1.00 0.00 C ATOM 149 CG2 VAL A 9 5.941 0.618 2.821 1.00 0.00 C ATOM 0 H VAL A 9 3.321 2.434 2.578 1.00 0.00 H new ATOM 0 HA VAL A 9 5.990 3.374 3.514 1.00 0.00 H new ATOM 0 HB VAL A 9 5.474 1.727 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.924 1.421 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.469 3.137 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.005 2.476 2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.440 -0.188 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.437 0.776 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.899 0.349 2.993 1.00 0.00 H new ATOM 159 N ASP A 10 5.887 5.297 2.030 1.00 0.00 N ATOM 160 CA ASP A 10 5.773 6.516 1.248 1.00 0.00 C ATOM 161 C ASP A 10 4.328 7.016 1.296 1.00 0.00 C ATOM 162 O ASP A 10 3.458 6.355 1.861 1.00 0.00 O ATOM 163 CB ASP A 10 6.139 6.267 -0.217 1.00 0.00 C ATOM 164 CG ASP A 10 6.411 7.528 -1.039 1.00 0.00 C ATOM 165 OD1 ASP A 10 7.529 8.069 -0.894 1.00 0.00 O ATOM 166 OD2 ASP A 10 5.497 7.922 -1.794 1.00 0.00 O ATOM 0 H ASP A 10 6.627 5.308 2.732 1.00 0.00 H new ATOM 0 HA ASP A 10 6.457 7.252 1.671 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.024 5.631 -0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.328 5.712 -0.689 1.00 0.00 H new ATOM 171 N ASP A 11 4.117 8.178 0.697 1.00 0.00 N ATOM 172 CA ASP A 11 2.792 8.774 0.665 1.00 0.00 C ATOM 173 C ASP A 11 2.404 9.222 2.075 1.00 0.00 C ATOM 174 O ASP A 11 1.271 9.639 2.308 1.00 0.00 O ATOM 175 CB ASP A 11 1.746 7.765 0.185 1.00 0.00 C ATOM 176 CG ASP A 11 0.452 8.381 -0.352 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.473 8.810 -1.526 1.00 0.00 O ATOM 178 OD2 ASP A 11 -0.528 8.408 0.423 1.00 0.00 O ATOM 0 H ASP A 11 4.841 8.723 0.230 1.00 0.00 H new ATOM 0 HA ASP A 11 2.820 9.620 -0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.189 7.149 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.498 7.100 1.012 1.00 0.00 H new ATOM 183 N GLN A 12 3.367 9.121 2.979 1.00 0.00 N ATOM 184 CA GLN A 12 3.141 9.510 4.361 1.00 0.00 C ATOM 185 C GLN A 12 3.096 11.035 4.481 1.00 0.00 C ATOM 186 O GLN A 12 4.105 11.708 4.278 1.00 0.00 O ATOM 187 CB GLN A 12 4.212 8.919 5.280 1.00 0.00 C ATOM 188 CG GLN A 12 5.605 9.066 4.664 1.00 0.00 C ATOM 189 CD GLN A 12 6.666 9.260 5.749 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.593 8.480 5.893 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.479 10.341 6.502 1.00 0.00 N ATOM 0 H GLN A 12 4.306 8.775 2.782 1.00 0.00 H new ATOM 0 HA GLN A 12 2.178 9.111 4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.183 9.421 6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.000 7.865 5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.841 8.181 4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.617 9.916 3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.681 10.952 6.327 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.133 10.558 7.254 1.00 0.00 H new ATOM 200 N TYR A 13 1.915 11.536 4.813 1.00 0.00 N ATOM 201 CA TYR A 13 1.725 12.968 4.963 1.00 0.00 C ATOM 202 C TYR A 13 0.503 13.271 5.833 1.00 0.00 C ATOM 203 O TYR A 13 -0.145 14.302 5.661 1.00 0.00 O ATOM 204 CB TYR A 13 1.480 13.511 3.554 1.00 0.00 C ATOM 205 CG TYR A 13 2.437 14.632 3.144 1.00 0.00 C ATOM 206 CD1 TYR A 13 2.195 15.929 3.548 1.00 0.00 C ATOM 207 CD2 TYR A 13 3.544 14.346 2.370 1.00 0.00 C ATOM 208 CE1 TYR A 13 3.096 16.984 3.162 1.00 0.00 C ATOM 209 CE2 TYR A 13 4.445 15.401 1.984 1.00 0.00 C ATOM 210 CZ TYR A 13 4.176 16.668 2.400 1.00 0.00 C ATOM 211 OH TYR A 13 5.027 17.664 2.035 1.00 0.00 O ATOM 0 H TYR A 13 1.080 10.975 4.982 1.00 0.00 H new ATOM 0 HA TYR A 13 2.593 13.422 5.441 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.568 12.692 2.840 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.456 13.880 3.491 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.330 16.153 4.154 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.734 13.331 2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.917 18.003 3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.314 15.191 1.378 1.00 0.00 H new ATOM 0 HH TYR A 13 5.754 17.291 1.493 1.00 0.00 H new ATOM 221 N GLY A 14 0.225 12.353 6.747 1.00 0.00 N ATOM 222 CA GLY A 14 -0.908 12.509 7.644 1.00 0.00 C ATOM 223 C GLY A 14 -2.058 11.585 7.240 1.00 0.00 C ATOM 224 O GLY A 14 -3.059 11.487 7.948 1.00 0.00 O ATOM 0 H GLY A 14 0.765 11.499 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.601 12.287 8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.247 13.545 7.631 1.00 0.00 H new ATOM 228 N ILE A 15 -1.877 10.930 6.102 1.00 0.00 N ATOM 229 CA ILE A 15 -2.888 10.017 5.595 1.00 0.00 C ATOM 230 C ILE A 15 -2.609 8.609 6.126 1.00 0.00 C ATOM 231 O ILE A 15 -3.536 7.872 6.458 1.00 0.00 O ATOM 232 CB ILE A 15 -2.963 10.095 4.069 1.00 0.00 C ATOM 233 CG1 ILE A 15 -3.632 11.395 3.619 1.00 0.00 C ATOM 234 CG2 ILE A 15 -3.660 8.861 3.491 1.00 0.00 C ATOM 235 CD1 ILE A 15 -2.587 12.460 3.278 1.00 0.00 C ATOM 0 H ILE A 15 -1.046 11.013 5.517 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.876 10.304 5.955 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.946 10.104 3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.259 11.203 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.287 11.763 4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.700 8.941 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.104 7.966 3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.673 8.796 3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.089 13.374 2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.978 12.667 4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.949 12.098 2.472 1.00 0.00 H new ATOM 247 N ARG A 16 -1.328 8.278 6.190 1.00 0.00 N ATOM 248 CA ARG A 16 -0.916 6.972 6.675 1.00 0.00 C ATOM 249 C ARG A 16 -1.531 6.697 8.049 1.00 0.00 C ATOM 250 O ARG A 16 -1.926 5.570 8.341 1.00 0.00 O ATOM 251 CB ARG A 16 0.608 6.878 6.779 1.00 0.00 C ATOM 252 CG ARG A 16 1.190 8.129 7.440 1.00 0.00 C ATOM 253 CD ARG A 16 2.618 7.876 7.929 1.00 0.00 C ATOM 254 NE ARG A 16 2.598 7.416 9.335 1.00 0.00 N ATOM 255 CZ ARG A 16 2.614 6.128 9.704 1.00 0.00 C ATOM 256 NH1 ARG A 16 2.649 5.165 8.773 1.00 0.00 N ATOM 257 NH2 ARG A 16 2.593 5.803 11.004 1.00 0.00 N ATOM 0 H ARG A 16 -0.562 8.892 5.914 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.267 6.228 5.960 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.883 5.996 7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.037 6.754 5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.186 8.956 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.562 8.427 8.279 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.099 7.127 7.300 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.207 8.789 7.845 1.00 0.00 H new ATOM 0 HE ARG A 16 2.570 8.123 10.069 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.663 5.412 7.784 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.661 4.184 9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.565 6.536 11.713 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.605 4.822 11.285 1.00 0.00 H new ATOM 271 N ILE A 17 -1.593 7.747 8.855 1.00 0.00 N ATOM 272 CA ILE A 17 -2.154 7.633 10.190 1.00 0.00 C ATOM 273 C ILE A 17 -3.663 7.403 10.087 1.00 0.00 C ATOM 274 O ILE A 17 -4.211 6.539 10.771 1.00 0.00 O ATOM 275 CB ILE A 17 -1.773 8.849 11.037 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.253 8.997 11.133 1.00 0.00 C ATOM 277 CG2 ILE A 17 -2.432 8.785 12.416 1.00 0.00 C ATOM 278 CD1 ILE A 17 0.150 10.470 11.222 1.00 0.00 C ATOM 0 H ILE A 17 -1.264 8.681 8.609 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.735 6.770 10.707 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.152 9.743 10.541 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.113 8.463 12.009 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.216 8.540 10.262 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.145 9.661 12.998 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.516 8.765 12.301 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.106 7.883 12.934 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.235 10.547 11.289 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.197 10.996 10.333 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.301 10.918 12.108 1.00 0.00 H new ATOM 290 N LEU A 18 -4.292 8.191 9.228 1.00 0.00 N ATOM 291 CA LEU A 18 -5.727 8.084 9.026 1.00 0.00 C ATOM 292 C LEU A 18 -6.119 6.607 8.958 1.00 0.00 C ATOM 293 O LEU A 18 -6.948 6.144 9.740 1.00 0.00 O ATOM 294 CB LEU A 18 -6.158 8.892 7.801 1.00 0.00 C ATOM 295 CG LEU A 18 -7.621 9.338 7.772 1.00 0.00 C ATOM 296 CD1 LEU A 18 -7.741 10.797 7.327 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.463 8.403 6.903 1.00 0.00 C ATOM 0 H LEU A 18 -3.834 8.907 8.664 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.264 8.518 9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.527 9.779 7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.963 8.295 6.910 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.016 9.277 8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.791 11.089 7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.195 11.435 8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.322 10.908 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.499 8.743 6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.077 8.407 5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.415 7.391 7.305 1.00 0.00 H new ATOM 309 N LEU A 19 -5.505 5.907 8.015 1.00 0.00 N ATOM 310 CA LEU A 19 -5.779 4.492 7.834 1.00 0.00 C ATOM 311 C LEU A 19 -5.168 3.706 8.995 1.00 0.00 C ATOM 312 O LEU A 19 -5.614 2.602 9.305 1.00 0.00 O ATOM 313 CB LEU A 19 -5.303 4.025 6.457 1.00 0.00 C ATOM 314 CG LEU A 19 -3.917 4.511 6.027 1.00 0.00 C ATOM 315 CD1 LEU A 19 -3.024 3.334 5.630 1.00 0.00 C ATOM 316 CD2 LEU A 19 -4.023 5.552 4.911 1.00 0.00 C ATOM 0 H LEU A 19 -4.818 6.294 7.368 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.853 4.307 7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.304 2.935 6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.029 4.353 5.713 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.446 5.000 6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.045 3.706 5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.911 2.661 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.480 2.796 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.024 5.881 4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.522 5.111 4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.599 6.407 5.265 1.00 0.00 H new ATOM 328 N ASN A 20 -4.156 4.305 9.606 1.00 0.00 N ATOM 329 CA ASN A 20 -3.478 3.674 10.726 1.00 0.00 C ATOM 330 C ASN A 20 -4.455 3.536 11.895 1.00 0.00 C ATOM 331 O ASN A 20 -4.719 2.429 12.361 1.00 0.00 O ATOM 332 CB ASN A 20 -2.292 4.518 11.197 1.00 0.00 C ATOM 333 CG ASN A 20 -1.399 3.722 12.152 1.00 0.00 C ATOM 334 OD1 ASN A 20 -1.590 2.540 12.382 1.00 0.00 O ATOM 335 ND2 ASN A 20 -0.416 4.436 12.693 1.00 0.00 N ATOM 0 H ASN A 20 -3.789 5.221 9.347 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.119 2.699 10.398 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.709 4.846 10.336 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.655 5.416 11.696 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.235 3.997 13.344 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.313 5.423 12.457 1.00 0.00 H new ATOM 342 N GLU A 21 -4.966 4.677 12.336 1.00 0.00 N ATOM 343 CA GLU A 21 -5.908 4.697 13.441 1.00 0.00 C ATOM 344 C GLU A 21 -7.055 3.719 13.180 1.00 0.00 C ATOM 345 O GLU A 21 -7.680 3.225 14.117 1.00 0.00 O ATOM 346 CB GLU A 21 -6.438 6.112 13.684 1.00 0.00 C ATOM 347 CG GLU A 21 -7.262 6.175 14.972 1.00 0.00 C ATOM 348 CD GLU A 21 -7.213 7.576 15.585 1.00 0.00 C ATOM 349 OE1 GLU A 21 -6.167 8.237 15.408 1.00 0.00 O ATOM 350 OE2 GLU A 21 -8.223 7.954 16.217 1.00 0.00 O ATOM 0 H GLU A 21 -4.745 5.594 11.947 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.385 4.380 14.344 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.604 6.811 13.747 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.052 6.424 12.839 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.296 5.903 14.760 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.881 5.447 15.688 1.00 0.00 H new ATOM 357 N VAL A 22 -7.296 3.469 11.902 1.00 0.00 N ATOM 358 CA VAL A 22 -8.357 2.558 11.505 1.00 0.00 C ATOM 359 C VAL A 22 -7.939 1.123 11.827 1.00 0.00 C ATOM 360 O VAL A 22 -8.602 0.439 12.605 1.00 0.00 O ATOM 361 CB VAL A 22 -8.698 2.764 10.028 1.00 0.00 C ATOM 362 CG1 VAL A 22 -9.324 1.503 9.429 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.616 3.974 9.840 1.00 0.00 C ATOM 0 H VAL A 22 -6.775 3.881 11.128 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.268 2.765 12.067 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.768 2.963 9.495 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.557 1.676 8.378 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.622 0.673 9.513 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.240 1.260 9.968 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.843 4.098 8.781 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.542 3.818 10.393 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.118 4.870 10.211 1.00 0.00 H new ATOM 373 N PHE A 23 -6.840 0.708 11.214 1.00 0.00 N ATOM 374 CA PHE A 23 -6.325 -0.634 11.426 1.00 0.00 C ATOM 375 C PHE A 23 -5.847 -0.816 12.868 1.00 0.00 C ATOM 376 O PHE A 23 -6.031 -1.880 13.457 1.00 0.00 O ATOM 377 CB PHE A 23 -5.135 -0.811 10.481 1.00 0.00 C ATOM 378 CG PHE A 23 -5.439 -0.457 9.024 1.00 0.00 C ATOM 379 CD1 PHE A 23 -6.667 -0.723 8.502 1.00 0.00 C ATOM 380 CD2 PHE A 23 -4.483 0.123 8.250 1.00 0.00 C ATOM 381 CE1 PHE A 23 -6.949 -0.395 7.149 1.00 0.00 C ATOM 382 CE2 PHE A 23 -4.765 0.451 6.898 1.00 0.00 C ATOM 383 CZ PHE A 23 -5.993 0.185 6.376 1.00 0.00 C ATOM 0 H PHE A 23 -6.292 1.278 10.570 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.108 -1.368 11.236 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.311 -0.189 10.831 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.796 -1.846 10.530 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.427 -1.183 9.116 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.508 0.334 8.664 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.923 -0.607 6.734 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.005 0.911 6.284 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.208 0.435 5.348 1.00 0.00 H new ATOM 393 N ASN A 24 -5.243 0.239 13.395 1.00 0.00 N ATOM 394 CA ASN A 24 -4.738 0.208 14.757 1.00 0.00 C ATOM 395 C ASN A 24 -5.910 0.056 15.729 1.00 0.00 C ATOM 396 O ASN A 24 -5.789 -0.614 16.753 1.00 0.00 O ATOM 397 CB ASN A 24 -4.004 1.506 15.102 1.00 0.00 C ATOM 398 CG ASN A 24 -2.837 1.240 16.055 1.00 0.00 C ATOM 399 OD1 ASN A 24 -1.826 0.660 15.693 1.00 0.00 O ATOM 400 ND2 ASN A 24 -3.032 1.694 17.289 1.00 0.00 N ATOM 0 H ASN A 24 -5.092 1.120 12.904 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.047 -0.631 14.841 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.633 1.972 14.189 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.699 2.210 15.560 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.312 1.565 18.000 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.902 2.171 17.525 1.00 0.00 H new ATOM 407 N LYS A 25 -7.018 0.690 15.373 1.00 0.00 N ATOM 408 CA LYS A 25 -8.211 0.633 16.200 1.00 0.00 C ATOM 409 C LYS A 25 -8.550 -0.828 16.500 1.00 0.00 C ATOM 410 O LYS A 25 -9.249 -1.121 17.469 1.00 0.00 O ATOM 411 CB LYS A 25 -9.356 1.407 15.543 1.00 0.00 C ATOM 412 CG LYS A 25 -9.607 2.733 16.265 1.00 0.00 C ATOM 413 CD LYS A 25 -10.996 3.282 15.936 1.00 0.00 C ATOM 414 CE LYS A 25 -11.246 4.609 16.655 1.00 0.00 C ATOM 415 NZ LYS A 25 -12.694 4.814 16.877 1.00 0.00 N ATOM 0 H LYS A 25 -7.114 1.246 14.523 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.034 1.122 17.158 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.117 1.598 14.497 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.263 0.803 15.558 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.515 2.588 17.341 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.847 3.459 15.975 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.089 3.425 14.859 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.756 2.557 16.228 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.721 4.616 17.610 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.843 5.431 16.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.845 5.719 17.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.187 4.828 15.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.069 4.039 17.460 1.00 0.00 H new ATOM 429 N GLU A 26 -8.038 -1.707 15.651 1.00 0.00 N ATOM 430 CA GLU A 26 -8.277 -3.131 15.813 1.00 0.00 C ATOM 431 C GLU A 26 -7.144 -3.772 16.617 1.00 0.00 C ATOM 432 O GLU A 26 -7.323 -4.835 17.210 1.00 0.00 O ATOM 433 CB GLU A 26 -8.442 -3.818 14.455 1.00 0.00 C ATOM 434 CG GLU A 26 -9.447 -3.067 13.580 1.00 0.00 C ATOM 435 CD GLU A 26 -10.831 -3.716 13.654 1.00 0.00 C ATOM 436 OE1 GLU A 26 -11.498 -3.511 14.691 1.00 0.00 O ATOM 437 OE2 GLU A 26 -11.190 -4.401 12.673 1.00 0.00 O ATOM 0 H GLU A 26 -7.458 -1.460 14.849 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.208 -3.262 16.365 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.478 -3.867 13.948 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.777 -4.845 14.601 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.511 -2.028 13.903 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.100 -3.059 12.547 1.00 0.00 H new ATOM 444 N GLY A 27 -6.003 -3.098 16.612 1.00 0.00 N ATOM 445 CA GLY A 27 -4.842 -3.588 17.334 1.00 0.00 C ATOM 446 C GLY A 27 -3.842 -4.247 16.382 1.00 0.00 C ATOM 447 O GLY A 27 -2.863 -4.847 16.822 1.00 0.00 O ATOM 0 H GLY A 27 -5.858 -2.217 16.119 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.361 -2.763 17.858 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.157 -4.306 18.091 1.00 0.00 H new ATOM 451 N TYR A 28 -4.124 -4.113 15.094 1.00 0.00 N ATOM 452 CA TYR A 28 -3.261 -4.688 14.075 1.00 0.00 C ATOM 453 C TYR A 28 -1.885 -4.020 14.082 1.00 0.00 C ATOM 454 O TYR A 28 -1.768 -2.832 14.377 1.00 0.00 O ATOM 455 CB TYR A 28 -3.945 -4.406 12.736 1.00 0.00 C ATOM 456 CG TYR A 28 -5.393 -4.897 12.661 1.00 0.00 C ATOM 457 CD1 TYR A 28 -5.874 -5.773 13.612 1.00 0.00 C ATOM 458 CD2 TYR A 28 -6.216 -4.463 11.642 1.00 0.00 C ATOM 459 CE1 TYR A 28 -7.236 -6.235 13.542 1.00 0.00 C ATOM 460 CE2 TYR A 28 -7.578 -4.925 11.572 1.00 0.00 C ATOM 461 CZ TYR A 28 -8.021 -5.788 12.525 1.00 0.00 C ATOM 462 OH TYR A 28 -9.308 -6.224 12.458 1.00 0.00 O ATOM 0 H TYR A 28 -4.937 -3.615 14.733 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.113 -5.753 14.253 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.926 -3.332 12.549 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.370 -4.878 11.939 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.229 -6.112 14.409 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.839 -3.777 10.898 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.625 -6.921 14.280 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.233 -4.593 10.780 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.887 -5.490 12.164 1.00 0.00 H new ATOM 472 N GLN A 29 -0.876 -4.814 13.752 1.00 0.00 N ATOM 473 CA GLN A 29 0.488 -4.315 13.716 1.00 0.00 C ATOM 474 C GLN A 29 0.773 -3.647 12.369 1.00 0.00 C ATOM 475 O GLN A 29 0.775 -4.308 11.332 1.00 0.00 O ATOM 476 CB GLN A 29 1.490 -5.437 13.995 1.00 0.00 C ATOM 477 CG GLN A 29 2.394 -5.083 15.177 1.00 0.00 C ATOM 478 CD GLN A 29 3.030 -6.339 15.776 1.00 0.00 C ATOM 479 OE1 GLN A 29 4.017 -6.861 15.286 1.00 0.00 O ATOM 480 NE2 GLN A 29 2.410 -6.794 16.862 1.00 0.00 N ATOM 0 H GLN A 29 -0.976 -5.799 13.507 1.00 0.00 H new ATOM 0 HA GLN A 29 0.602 -3.568 14.501 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.955 -6.363 14.206 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.098 -5.615 13.108 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.175 -4.396 14.850 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.814 -4.565 15.941 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.588 -6.309 17.221 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.757 -7.628 17.336 1.00 0.00 H new ATOM 489 N THR A 30 1.008 -2.344 12.429 1.00 0.00 N ATOM 490 CA THR A 30 1.293 -1.579 11.227 1.00 0.00 C ATOM 491 C THR A 30 2.660 -0.900 11.339 1.00 0.00 C ATOM 492 O THR A 30 3.025 -0.405 12.404 1.00 0.00 O ATOM 493 CB THR A 30 0.143 -0.595 11.008 1.00 0.00 C ATOM 494 OG1 THR A 30 0.013 0.072 12.260 1.00 0.00 O ATOM 495 CG2 THR A 30 -1.203 -1.300 10.820 1.00 0.00 C ATOM 0 H THR A 30 1.007 -1.799 13.291 1.00 0.00 H new ATOM 0 HA THR A 30 1.356 -2.226 10.352 1.00 0.00 H new ATOM 0 HB THR A 30 0.355 0.022 10.135 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.542 0.872 12.148 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.985 -0.556 10.668 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.152 -1.956 9.951 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.431 -1.891 11.707 1.00 0.00 H new ATOM 503 N PHE A 31 3.378 -0.899 10.226 1.00 0.00 N ATOM 504 CA PHE A 31 4.696 -0.290 10.185 1.00 0.00 C ATOM 505 C PHE A 31 4.799 0.719 9.039 1.00 0.00 C ATOM 506 O PHE A 31 3.958 0.732 8.142 1.00 0.00 O ATOM 507 CB PHE A 31 5.703 -1.417 9.949 1.00 0.00 C ATOM 508 CG PHE A 31 6.591 -1.722 11.158 1.00 0.00 C ATOM 509 CD1 PHE A 31 6.077 -2.386 12.228 1.00 0.00 C ATOM 510 CD2 PHE A 31 7.892 -1.328 11.162 1.00 0.00 C ATOM 511 CE1 PHE A 31 6.901 -2.669 13.350 1.00 0.00 C ATOM 512 CE2 PHE A 31 8.716 -1.611 12.284 1.00 0.00 C ATOM 513 CZ PHE A 31 8.203 -2.275 13.354 1.00 0.00 C ATOM 0 H PHE A 31 3.071 -1.311 9.345 1.00 0.00 H new ATOM 0 HA PHE A 31 4.890 0.240 11.118 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.162 -2.322 9.671 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.337 -1.152 9.103 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.043 -2.698 12.225 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.299 -0.800 10.312 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.494 -3.197 14.200 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.750 -1.299 12.287 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.829 -2.490 14.207 1.00 0.00 H new ATOM 523 N GLN A 32 5.838 1.538 9.106 1.00 0.00 N ATOM 524 CA GLN A 32 6.062 2.547 8.085 1.00 0.00 C ATOM 525 C GLN A 32 7.495 2.459 7.557 1.00 0.00 C ATOM 526 O GLN A 32 8.416 2.124 8.301 1.00 0.00 O ATOM 527 CB GLN A 32 5.762 3.948 8.623 1.00 0.00 C ATOM 528 CG GLN A 32 6.691 4.988 7.995 1.00 0.00 C ATOM 529 CD GLN A 32 6.136 6.402 8.179 1.00 0.00 C ATOM 530 OE1 GLN A 32 5.748 7.071 7.236 1.00 0.00 O ATOM 531 NE2 GLN A 32 6.120 6.817 9.442 1.00 0.00 N ATOM 0 H GLN A 32 6.534 1.523 9.851 1.00 0.00 H new ATOM 0 HA GLN A 32 5.378 2.356 7.258 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.725 4.208 8.412 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.879 3.958 9.707 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.679 4.920 8.450 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.813 4.777 6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.460 6.205 10.184 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.768 7.747 9.669 1.00 0.00 H new ATOM 540 N ALA A 33 7.640 2.765 6.276 1.00 0.00 N ATOM 541 CA ALA A 33 8.945 2.724 5.639 1.00 0.00 C ATOM 542 C ALA A 33 9.121 3.968 4.766 1.00 0.00 C ATOM 543 O ALA A 33 8.141 4.554 4.309 1.00 0.00 O ATOM 544 CB ALA A 33 9.083 1.427 4.840 1.00 0.00 C ATOM 0 H ALA A 33 6.874 3.043 5.662 1.00 0.00 H new ATOM 0 HA ALA A 33 9.737 2.732 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.062 1.396 4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.980 0.574 5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.306 1.385 4.077 1.00 0.00 H new ATOM 550 N ALA A 34 10.377 4.335 4.561 1.00 0.00 N ATOM 551 CA ALA A 34 10.694 5.499 3.751 1.00 0.00 C ATOM 552 C ALA A 34 11.477 5.056 2.513 1.00 0.00 C ATOM 553 O ALA A 34 12.418 5.728 2.096 1.00 0.00 O ATOM 554 CB ALA A 34 11.466 6.514 4.596 1.00 0.00 C ATOM 0 H ALA A 34 11.188 3.847 4.942 1.00 0.00 H new ATOM 0 HA ALA A 34 9.782 5.987 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.704 7.387 3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.856 6.819 5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.389 6.060 4.956 1.00 0.00 H new ATOM 560 N ASN A 35 11.058 3.927 1.961 1.00 0.00 N ATOM 561 CA ASN A 35 11.708 3.386 0.779 1.00 0.00 C ATOM 562 C ASN A 35 10.948 2.144 0.308 1.00 0.00 C ATOM 563 O ASN A 35 10.025 1.685 0.979 1.00 0.00 O ATOM 564 CB ASN A 35 13.149 2.971 1.084 1.00 0.00 C ATOM 565 CG ASN A 35 13.439 3.058 2.583 1.00 0.00 C ATOM 566 OD1 ASN A 35 12.613 2.734 3.421 1.00 0.00 O ATOM 567 ND2 ASN A 35 14.654 3.512 2.874 1.00 0.00 N ATOM 0 H ASN A 35 10.277 3.372 2.310 1.00 0.00 H new ATOM 0 HA ASN A 35 11.710 4.160 0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.319 1.952 0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.840 3.614 0.538 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.943 3.607 3.847 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.297 3.766 2.124 1.00 0.00 H new ATOM 574 N GLY A 36 11.365 1.635 -0.842 1.00 0.00 N ATOM 575 CA GLY A 36 10.736 0.455 -1.410 1.00 0.00 C ATOM 576 C GLY A 36 11.512 -0.811 -1.043 1.00 0.00 C ATOM 577 O GLY A 36 10.972 -1.915 -1.104 1.00 0.00 O ATOM 0 H GLY A 36 12.131 2.018 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.711 0.375 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.684 0.553 -2.494 1.00 0.00 H new ATOM 581 N LEU A 37 12.767 -0.610 -0.669 1.00 0.00 N ATOM 582 CA LEU A 37 13.623 -1.722 -0.292 1.00 0.00 C ATOM 583 C LEU A 37 13.370 -2.080 1.174 1.00 0.00 C ATOM 584 O LEU A 37 13.103 -3.237 1.497 1.00 0.00 O ATOM 585 CB LEU A 37 15.086 -1.402 -0.603 1.00 0.00 C ATOM 586 CG LEU A 37 15.802 -2.376 -1.540 1.00 0.00 C ATOM 587 CD1 LEU A 37 17.170 -1.832 -1.956 1.00 0.00 C ATOM 588 CD2 LEU A 37 15.905 -3.767 -0.911 1.00 0.00 C ATOM 0 H LEU A 37 13.212 0.307 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 37 13.382 -2.606 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.134 -0.405 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.636 -1.363 0.337 1.00 0.00 H new ATOM 0 HG LEU A 37 15.206 -2.477 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.658 -2.544 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.042 -0.881 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.787 -1.683 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.418 -4.440 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.466 -3.704 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.905 -4.149 -0.708 1.00 0.00 H new ATOM 600 N GLN A 38 13.463 -1.067 2.022 1.00 0.00 N ATOM 601 CA GLN A 38 13.248 -1.260 3.446 1.00 0.00 C ATOM 602 C GLN A 38 11.852 -1.835 3.698 1.00 0.00 C ATOM 603 O GLN A 38 11.595 -2.407 4.757 1.00 0.00 O ATOM 604 CB GLN A 38 13.449 0.048 4.214 1.00 0.00 C ATOM 605 CG GLN A 38 14.592 -0.079 5.223 1.00 0.00 C ATOM 606 CD GLN A 38 14.234 0.601 6.546 1.00 0.00 C ATOM 607 OE1 GLN A 38 13.379 0.153 7.293 1.00 0.00 O ATOM 608 NE2 GLN A 38 14.932 1.706 6.793 1.00 0.00 N ATOM 0 H GLN A 38 13.685 -0.109 1.750 1.00 0.00 H new ATOM 0 HA GLN A 38 13.986 -1.974 3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.665 0.855 3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.528 0.314 4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.811 -1.132 5.399 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.496 0.370 4.812 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.633 2.026 6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.766 2.233 7.650 1.00 0.00 H new ATOM 617 N ALA A 39 10.989 -1.664 2.709 1.00 0.00 N ATOM 618 CA ALA A 39 9.626 -2.158 2.810 1.00 0.00 C ATOM 619 C ALA A 39 9.606 -3.655 2.492 1.00 0.00 C ATOM 620 O ALA A 39 8.768 -4.392 3.008 1.00 0.00 O ATOM 621 CB ALA A 39 8.719 -1.352 1.878 1.00 0.00 C ATOM 0 H ALA A 39 11.207 -1.190 1.833 1.00 0.00 H new ATOM 0 HA ALA A 39 9.246 -2.031 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.697 -1.723 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.746 -0.301 2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.067 -1.457 0.851 1.00 0.00 H new ATOM 627 N LEU A 40 10.540 -4.059 1.644 1.00 0.00 N ATOM 628 CA LEU A 40 10.641 -5.455 1.251 1.00 0.00 C ATOM 629 C LEU A 40 10.916 -6.310 2.489 1.00 0.00 C ATOM 630 O LEU A 40 10.228 -7.301 2.729 1.00 0.00 O ATOM 631 CB LEU A 40 11.681 -5.626 0.142 1.00 0.00 C ATOM 632 CG LEU A 40 11.214 -5.280 -1.274 1.00 0.00 C ATOM 633 CD1 LEU A 40 12.307 -5.585 -2.301 1.00 0.00 C ATOM 634 CD2 LEU A 40 9.900 -5.990 -1.607 1.00 0.00 C ATOM 0 H LEU A 40 11.234 -3.445 1.218 1.00 0.00 H new ATOM 0 HA LEU A 40 9.698 -5.801 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.544 -5.004 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.023 -6.661 0.148 1.00 0.00 H new ATOM 0 HG LEU A 40 11.021 -4.208 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.950 -5.330 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.196 -4.996 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.555 -6.646 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.590 -5.727 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.042 -7.069 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.130 -5.681 -0.900 1.00 0.00 H new ATOM 646 N ASP A 41 11.924 -5.896 3.243 1.00 0.00 N ATOM 647 CA ASP A 41 12.299 -6.612 4.450 1.00 0.00 C ATOM 648 C ASP A 41 11.184 -6.471 5.489 1.00 0.00 C ATOM 649 O ASP A 41 10.741 -7.462 6.067 1.00 0.00 O ATOM 650 CB ASP A 41 13.583 -6.039 5.054 1.00 0.00 C ATOM 651 CG ASP A 41 14.149 -6.827 6.237 1.00 0.00 C ATOM 652 OD1 ASP A 41 13.812 -8.027 6.333 1.00 0.00 O ATOM 653 OD2 ASP A 41 14.907 -6.213 7.018 1.00 0.00 O ATOM 0 H ASP A 41 12.492 -5.074 3.041 1.00 0.00 H new ATOM 0 HA ASP A 41 12.460 -7.657 4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.343 -5.988 4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.390 -5.016 5.377 1.00 0.00 H new ATOM 658 N ILE A 42 10.763 -5.232 5.694 1.00 0.00 N ATOM 659 CA ILE A 42 9.709 -4.948 6.652 1.00 0.00 C ATOM 660 C ILE A 42 8.430 -5.673 6.226 1.00 0.00 C ATOM 661 O ILE A 42 7.605 -6.028 7.066 1.00 0.00 O ATOM 662 CB ILE A 42 9.531 -3.438 6.823 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.693 -2.836 7.617 1.00 0.00 C ATOM 664 CG2 ILE A 42 8.176 -3.113 7.454 1.00 0.00 C ATOM 665 CD1 ILE A 42 10.236 -2.403 9.012 1.00 0.00 C ATOM 0 H ILE A 42 11.133 -4.413 5.212 1.00 0.00 H new ATOM 0 HA ILE A 42 9.979 -5.327 7.638 1.00 0.00 H new ATOM 0 HB ILE A 42 9.544 -2.978 5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.496 -3.567 7.704 1.00 0.00 H new ATOM 0 HG13 ILE A 42 11.099 -1.978 7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.076 -2.033 7.564 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.377 -3.488 6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.108 -3.586 8.434 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.080 -1.979 9.556 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.449 -1.654 8.921 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.853 -3.268 9.554 1.00 0.00 H new ATOM 677 N VAL A 43 8.307 -5.872 4.922 1.00 0.00 N ATOM 678 CA VAL A 43 7.144 -6.548 4.375 1.00 0.00 C ATOM 679 C VAL A 43 7.070 -7.968 4.941 1.00 0.00 C ATOM 680 O VAL A 43 6.025 -8.391 5.432 1.00 0.00 O ATOM 681 CB VAL A 43 7.191 -6.517 2.846 1.00 0.00 C ATOM 682 CG1 VAL A 43 6.614 -7.804 2.253 1.00 0.00 C ATOM 683 CG2 VAL A 43 6.463 -5.287 2.300 1.00 0.00 C ATOM 0 H VAL A 43 8.994 -5.577 4.228 1.00 0.00 H new ATOM 0 HA VAL A 43 6.230 -6.032 4.670 1.00 0.00 H new ATOM 0 HB VAL A 43 8.236 -6.449 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.659 -7.756 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.194 -8.658 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.577 -7.917 2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.511 -5.289 1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.420 -5.311 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.938 -4.384 2.682 1.00 0.00 H new ATOM 693 N THR A 44 8.194 -8.664 4.855 1.00 0.00 N ATOM 694 CA THR A 44 8.271 -10.027 5.353 1.00 0.00 C ATOM 695 C THR A 44 8.370 -10.032 6.880 1.00 0.00 C ATOM 696 O THR A 44 7.811 -10.908 7.539 1.00 0.00 O ATOM 697 CB THR A 44 9.451 -10.716 4.665 1.00 0.00 C ATOM 698 OG1 THR A 44 9.067 -10.777 3.294 1.00 0.00 O ATOM 699 CG2 THR A 44 9.594 -12.182 5.078 1.00 0.00 C ATOM 0 H THR A 44 9.059 -8.309 4.448 1.00 0.00 H new ATOM 0 HA THR A 44 7.366 -10.587 5.116 1.00 0.00 H new ATOM 0 HB THR A 44 10.371 -10.181 4.900 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.777 -11.209 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.446 -12.624 4.561 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.751 -12.243 6.155 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.687 -12.725 4.812 1.00 0.00 H new ATOM 707 N LYS A 45 9.084 -9.044 7.398 1.00 0.00 N ATOM 708 CA LYS A 45 9.263 -8.923 8.835 1.00 0.00 C ATOM 709 C LYS A 45 7.898 -8.737 9.501 1.00 0.00 C ATOM 710 O LYS A 45 7.645 -9.290 10.570 1.00 0.00 O ATOM 711 CB LYS A 45 10.262 -7.811 9.159 1.00 0.00 C ATOM 712 CG LYS A 45 11.408 -8.338 10.026 1.00 0.00 C ATOM 713 CD LYS A 45 11.632 -7.438 11.243 1.00 0.00 C ATOM 714 CE LYS A 45 13.122 -7.322 11.571 1.00 0.00 C ATOM 715 NZ LYS A 45 13.690 -8.654 11.878 1.00 0.00 N ATOM 0 H LYS A 45 9.546 -8.319 6.848 1.00 0.00 H new ATOM 0 HA LYS A 45 9.695 -9.837 9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.662 -7.396 8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.752 -6.999 9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.183 -9.352 10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.322 -8.390 9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.220 -6.448 11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.097 -7.842 12.102 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.653 -6.879 10.728 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.262 -6.655 12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.644 -8.541 12.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.082 -9.140 12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.744 -9.218 11.006 1.00 0.00 H new ATOM 729 N GLU A 46 7.055 -7.956 8.841 1.00 0.00 N ATOM 730 CA GLU A 46 5.723 -7.690 9.356 1.00 0.00 C ATOM 731 C GLU A 46 4.689 -8.542 8.617 1.00 0.00 C ATOM 732 O GLU A 46 3.515 -8.556 8.984 1.00 0.00 O ATOM 733 CB GLU A 46 5.382 -6.202 9.252 1.00 0.00 C ATOM 734 CG GLU A 46 5.778 -5.459 10.529 1.00 0.00 C ATOM 735 CD GLU A 46 4.560 -4.800 11.180 1.00 0.00 C ATOM 736 OE1 GLU A 46 3.768 -4.198 10.423 1.00 0.00 O ATOM 737 OE2 GLU A 46 4.449 -4.913 12.420 1.00 0.00 O ATOM 0 H GLU A 46 7.269 -7.499 7.954 1.00 0.00 H new ATOM 0 HA GLU A 46 5.702 -7.961 10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.899 -5.765 8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.314 -6.082 9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.238 -6.155 11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.525 -4.700 10.296 1.00 0.00 H new ATOM 744 N ARG A 47 5.162 -9.232 7.590 1.00 0.00 N ATOM 745 CA ARG A 47 4.293 -10.085 6.797 1.00 0.00 C ATOM 746 C ARG A 47 2.845 -9.601 6.891 1.00 0.00 C ATOM 747 O ARG A 47 1.968 -10.338 7.341 1.00 0.00 O ATOM 748 CB ARG A 47 4.370 -11.539 7.267 1.00 0.00 C ATOM 749 CG ARG A 47 4.113 -11.643 8.772 1.00 0.00 C ATOM 750 CD ARG A 47 3.040 -12.690 9.074 1.00 0.00 C ATOM 751 NE ARG A 47 3.565 -14.047 8.800 1.00 0.00 N ATOM 752 CZ ARG A 47 2.795 -15.127 8.612 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.461 -15.016 8.667 1.00 0.00 N ATOM 754 NH2 ARG A 47 3.359 -16.318 8.369 1.00 0.00 N ATOM 0 H ARG A 47 6.136 -9.218 7.288 1.00 0.00 H new ATOM 0 HA ARG A 47 4.631 -10.032 5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.637 -12.139 6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.352 -11.949 7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.038 -11.907 9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.799 -10.673 9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.730 -12.615 10.116 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.156 -12.503 8.464 1.00 0.00 H new ATOM 0 HE ARG A 47 4.577 -14.167 8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.032 -14.109 8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.875 -15.838 8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.375 -16.402 8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.773 -17.140 8.226 1.00 0.00 H new ATOM 768 N PRO A 48 2.633 -8.333 6.449 1.00 0.00 N ATOM 769 CA PRO A 48 1.305 -7.742 6.479 1.00 0.00 C ATOM 770 C PRO A 48 0.425 -8.314 5.367 1.00 0.00 C ATOM 771 O PRO A 48 0.932 -8.815 4.364 1.00 0.00 O ATOM 772 CB PRO A 48 1.538 -6.246 6.343 1.00 0.00 C ATOM 773 CG PRO A 48 2.940 -6.092 5.777 1.00 0.00 C ATOM 774 CD PRO A 48 3.646 -7.431 5.911 1.00 0.00 C ATOM 0 HA PRO A 48 0.765 -7.966 7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.798 -5.794 5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.450 -5.748 7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.898 -5.785 4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.486 -5.317 6.315 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.016 -7.781 4.948 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.506 -7.360 6.577 1.00 0.00 H new ATOM 782 N ASP A 49 -0.879 -8.221 5.581 1.00 0.00 N ATOM 783 CA ASP A 49 -1.835 -8.724 4.609 1.00 0.00 C ATOM 784 C ASP A 49 -2.120 -7.636 3.571 1.00 0.00 C ATOM 785 O ASP A 49 -2.918 -7.838 2.657 1.00 0.00 O ATOM 786 CB ASP A 49 -3.159 -9.096 5.279 1.00 0.00 C ATOM 787 CG ASP A 49 -3.044 -9.524 6.744 1.00 0.00 C ATOM 788 OD1 ASP A 49 -2.347 -8.805 7.492 1.00 0.00 O ATOM 789 OD2 ASP A 49 -3.656 -10.560 7.082 1.00 0.00 O ATOM 0 H ASP A 49 -1.296 -7.805 6.413 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.406 -9.611 4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.833 -8.241 5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.620 -9.907 4.714 1.00 0.00 H new ATOM 794 N LEU A 50 -1.452 -6.505 3.748 1.00 0.00 N ATOM 795 CA LEU A 50 -1.624 -5.385 2.838 1.00 0.00 C ATOM 796 C LEU A 50 -0.507 -4.366 3.074 1.00 0.00 C ATOM 797 O LEU A 50 -0.070 -4.170 4.206 1.00 0.00 O ATOM 798 CB LEU A 50 -3.030 -4.797 2.971 1.00 0.00 C ATOM 799 CG LEU A 50 -3.667 -4.282 1.679 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.139 -2.891 1.324 1.00 0.00 C ATOM 801 CD2 LEU A 50 -3.470 -5.279 0.536 1.00 0.00 C ATOM 0 H LEU A 50 -0.791 -6.340 4.507 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.540 -5.718 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.683 -5.560 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.993 -3.976 3.687 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.741 -4.187 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.608 -2.548 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.374 -2.196 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.059 -2.936 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.932 -4.889 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.404 -5.430 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.933 -6.230 0.799 1.00 0.00 H new ATOM 813 N VAL A 51 -0.076 -3.746 1.985 1.00 0.00 N ATOM 814 CA VAL A 51 0.982 -2.752 2.059 1.00 0.00 C ATOM 815 C VAL A 51 0.584 -1.528 1.232 1.00 0.00 C ATOM 816 O VAL A 51 0.030 -1.664 0.143 1.00 0.00 O ATOM 817 CB VAL A 51 2.310 -3.368 1.615 1.00 0.00 C ATOM 818 CG1 VAL A 51 3.485 -2.461 1.982 1.00 0.00 C ATOM 819 CG2 VAL A 51 2.491 -4.767 2.207 1.00 0.00 C ATOM 0 H VAL A 51 -0.440 -3.913 1.047 1.00 0.00 H new ATOM 0 HA VAL A 51 1.122 -2.418 3.087 1.00 0.00 H new ATOM 0 HB VAL A 51 2.288 -3.464 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.417 -2.923 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.366 -1.495 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.510 -2.318 3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.443 -5.182 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.481 -4.706 3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.678 -5.412 1.873 1.00 0.00 H new ATOM 829 N LEU A 52 0.884 -0.360 1.782 1.00 0.00 N ATOM 830 CA LEU A 52 0.565 0.887 1.108 1.00 0.00 C ATOM 831 C LEU A 52 1.856 1.532 0.600 1.00 0.00 C ATOM 832 O LEU A 52 2.598 2.137 1.373 1.00 0.00 O ATOM 833 CB LEU A 52 -0.257 1.796 2.025 1.00 0.00 C ATOM 834 CG LEU A 52 -0.487 3.223 1.523 1.00 0.00 C ATOM 835 CD1 LEU A 52 -1.981 3.547 1.459 1.00 0.00 C ATOM 836 CD2 LEU A 52 0.283 4.234 2.375 1.00 0.00 C ATOM 0 H LEU A 52 1.344 -0.251 2.686 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.062 0.700 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.228 1.329 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.241 1.848 2.993 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.098 3.295 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.117 4.567 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.475 2.853 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.417 3.452 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.103 5.240 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.054 4.169 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.349 4.014 2.326 1.00 0.00 H new ATOM 848 N LEU A 53 2.085 1.382 -0.696 1.00 0.00 N ATOM 849 CA LEU A 53 3.273 1.942 -1.317 1.00 0.00 C ATOM 850 C LEU A 53 2.856 2.948 -2.392 1.00 0.00 C ATOM 851 O LEU A 53 1.883 2.726 -3.111 1.00 0.00 O ATOM 852 CB LEU A 53 4.182 0.827 -1.837 1.00 0.00 C ATOM 853 CG LEU A 53 5.161 1.222 -2.945 1.00 0.00 C ATOM 854 CD1 LEU A 53 4.415 1.739 -4.177 1.00 0.00 C ATOM 855 CD2 LEU A 53 6.190 2.231 -2.433 1.00 0.00 C ATOM 0 H LEU A 53 1.467 0.880 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 53 3.865 2.488 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.754 0.431 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.554 0.016 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 53 5.709 0.331 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.134 2.013 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.754 0.959 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.825 2.614 -3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.874 2.495 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.678 3.127 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.753 1.791 -1.610 1.00 0.00 H new ATOM 867 N ASP A 54 3.613 4.033 -2.467 1.00 0.00 N ATOM 868 CA ASP A 54 3.335 5.073 -3.442 1.00 0.00 C ATOM 869 C ASP A 54 4.469 5.122 -4.468 1.00 0.00 C ATOM 870 O ASP A 54 5.586 4.693 -4.184 1.00 0.00 O ATOM 871 CB ASP A 54 3.243 6.446 -2.773 1.00 0.00 C ATOM 872 CG ASP A 54 3.634 7.627 -3.663 1.00 0.00 C ATOM 873 OD1 ASP A 54 4.811 7.657 -4.082 1.00 0.00 O ATOM 874 OD2 ASP A 54 2.746 8.474 -3.904 1.00 0.00 O ATOM 0 H ASP A 54 4.419 4.214 -1.868 1.00 0.00 H new ATOM 0 HA ASP A 54 2.383 4.840 -3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.221 6.596 -2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.884 6.447 -1.891 1.00 0.00 H new ATOM 879 N MET A 55 4.142 5.649 -5.639 1.00 0.00 N ATOM 880 CA MET A 55 5.120 5.759 -6.708 1.00 0.00 C ATOM 881 C MET A 55 6.254 6.709 -6.319 1.00 0.00 C ATOM 882 O MET A 55 7.377 6.273 -6.072 1.00 0.00 O ATOM 883 CB MET A 55 4.435 6.275 -7.976 1.00 0.00 C ATOM 884 CG MET A 55 3.189 5.448 -8.300 1.00 0.00 C ATOM 885 SD MET A 55 3.595 3.710 -8.312 1.00 0.00 S ATOM 886 CE MET A 55 3.344 3.321 -6.588 1.00 0.00 C ATOM 0 H MET A 55 3.214 6.004 -5.871 1.00 0.00 H new ATOM 0 HA MET A 55 5.544 4.771 -6.889 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.158 7.321 -7.844 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.132 6.233 -8.813 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.411 5.643 -7.562 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.789 5.743 -9.270 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.978 2.298 -6.495 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.288 3.419 -6.052 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.612 4.008 -6.163 1.00 0.00 H new ATOM 896 N LYS A 56 5.921 7.991 -6.275 1.00 0.00 N ATOM 897 CA LYS A 56 6.897 9.006 -5.919 1.00 0.00 C ATOM 898 C LYS A 56 7.630 8.579 -4.646 1.00 0.00 C ATOM 899 O LYS A 56 7.010 8.395 -3.600 1.00 0.00 O ATOM 900 CB LYS A 56 6.229 10.379 -5.813 1.00 0.00 C ATOM 901 CG LYS A 56 6.876 11.380 -6.772 1.00 0.00 C ATOM 902 CD LYS A 56 5.931 12.546 -7.068 1.00 0.00 C ATOM 903 CE LYS A 56 6.370 13.303 -8.323 1.00 0.00 C ATOM 904 NZ LYS A 56 5.345 14.297 -8.713 1.00 0.00 N ATOM 0 H LYS A 56 4.988 8.350 -6.480 1.00 0.00 H new ATOM 0 HA LYS A 56 7.648 9.103 -6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.166 10.289 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.307 10.747 -4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.801 11.759 -6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.142 10.878 -7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.916 12.171 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.910 13.227 -6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.320 13.805 -8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.534 12.601 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.658 14.802 -9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.447 13.811 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.209 14.977 -7.938 1.00 0.00 H new ATOM 918 N ILE A 57 8.941 8.434 -4.776 1.00 0.00 N ATOM 919 CA ILE A 57 9.765 8.032 -3.649 1.00 0.00 C ATOM 920 C ILE A 57 11.126 8.725 -3.746 1.00 0.00 C ATOM 921 O ILE A 57 11.562 9.097 -4.834 1.00 0.00 O ATOM 922 CB ILE A 57 9.855 6.507 -3.569 1.00 0.00 C ATOM 923 CG1 ILE A 57 9.109 5.977 -2.343 1.00 0.00 C ATOM 924 CG2 ILE A 57 11.313 6.042 -3.597 1.00 0.00 C ATOM 925 CD1 ILE A 57 8.979 4.454 -2.396 1.00 0.00 C ATOM 0 H ILE A 57 9.453 8.588 -5.645 1.00 0.00 H new ATOM 0 HA ILE A 57 9.311 8.351 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 57 9.366 6.090 -4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.639 6.269 -1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.118 6.429 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.349 4.954 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 57 11.782 6.372 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 57 11.847 6.469 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.445 4.103 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.428 4.167 -3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.972 4.005 -2.422 1.00 0.00 H new ATOM 937 N PRO A 58 11.777 8.880 -2.562 1.00 0.00 N ATOM 938 CA PRO A 58 13.079 9.521 -2.502 1.00 0.00 C ATOM 939 C PRO A 58 14.174 8.587 -3.021 1.00 0.00 C ATOM 940 O PRO A 58 14.304 7.457 -2.553 1.00 0.00 O ATOM 941 CB PRO A 58 13.265 9.901 -1.042 1.00 0.00 C ATOM 942 CG PRO A 58 12.276 9.050 -0.262 1.00 0.00 C ATOM 943 CD PRO A 58 11.292 8.452 -1.253 1.00 0.00 C ATOM 0 HA PRO A 58 13.143 10.403 -3.140 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.287 9.710 -0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.074 10.963 -0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.797 8.262 0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.752 9.655 0.478 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.265 7.365 -1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.279 8.810 -1.070 1.00 0.00 H new ATOM 951 N GLY A 59 14.935 9.094 -3.980 1.00 0.00 N ATOM 952 CA GLY A 59 16.015 8.319 -4.567 1.00 0.00 C ATOM 953 C GLY A 59 15.477 7.062 -5.255 1.00 0.00 C ATOM 954 O GLY A 59 15.185 6.066 -4.595 1.00 0.00 O ATOM 0 H GLY A 59 14.825 10.032 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.555 8.931 -5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.728 8.037 -3.792 1.00 0.00 H new ATOM 958 N MET A 60 15.362 7.150 -6.572 1.00 0.00 N ATOM 959 CA MET A 60 14.865 6.033 -7.356 1.00 0.00 C ATOM 960 C MET A 60 13.402 5.735 -7.020 1.00 0.00 C ATOM 961 O MET A 60 13.114 5.029 -6.055 1.00 0.00 O ATOM 962 CB MET A 60 15.715 4.793 -7.075 1.00 0.00 C ATOM 963 CG MET A 60 16.043 4.048 -8.370 1.00 0.00 C ATOM 964 SD MET A 60 16.312 2.317 -8.028 1.00 0.00 S ATOM 965 CE MET A 60 14.708 1.876 -7.380 1.00 0.00 C ATOM 0 H MET A 60 15.605 7.978 -7.116 1.00 0.00 H new ATOM 0 HA MET A 60 14.930 6.298 -8.411 1.00 0.00 H new ATOM 0 HB2 MET A 60 16.639 5.086 -6.576 1.00 0.00 H new ATOM 0 HB3 MET A 60 15.182 4.129 -6.394 1.00 0.00 H new ATOM 0 HG2 MET A 60 15.226 4.164 -9.082 1.00 0.00 H new ATOM 0 HG3 MET A 60 16.932 4.478 -8.831 1.00 0.00 H new ATOM 0 HE1 MET A 60 14.367 0.953 -7.850 1.00 0.00 H new ATOM 0 HE2 MET A 60 14.779 1.730 -6.302 1.00 0.00 H new ATOM 0 HE3 MET A 60 13.998 2.675 -7.592 1.00 0.00 H new ATOM 975 N ASP A 61 12.516 6.289 -7.835 1.00 0.00 N ATOM 976 CA ASP A 61 11.090 6.092 -7.636 1.00 0.00 C ATOM 977 C ASP A 61 10.808 4.601 -7.443 1.00 0.00 C ATOM 978 O ASP A 61 11.716 3.776 -7.539 1.00 0.00 O ATOM 979 CB ASP A 61 10.294 6.570 -8.852 1.00 0.00 C ATOM 980 CG ASP A 61 10.906 7.756 -9.601 1.00 0.00 C ATOM 981 OD1 ASP A 61 10.598 8.899 -9.201 1.00 0.00 O ATOM 982 OD2 ASP A 61 11.668 7.492 -10.556 1.00 0.00 O ATOM 0 H ASP A 61 12.758 6.874 -8.635 1.00 0.00 H new ATOM 0 HA ASP A 61 10.789 6.665 -6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.186 5.737 -9.547 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.291 6.844 -8.526 1.00 0.00 H new ATOM 987 N GLY A 62 9.546 4.300 -7.172 1.00 0.00 N ATOM 988 CA GLY A 62 9.133 2.923 -6.964 1.00 0.00 C ATOM 989 C GLY A 62 8.724 2.268 -8.285 1.00 0.00 C ATOM 990 O GLY A 62 7.969 1.297 -8.293 1.00 0.00 O ATOM 0 H GLY A 62 8.796 4.987 -7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.949 2.359 -6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.298 2.892 -6.264 1.00 0.00 H new ATOM 994 N ILE A 63 9.242 2.824 -9.370 1.00 0.00 N ATOM 995 CA ILE A 63 8.940 2.306 -10.694 1.00 0.00 C ATOM 996 C ILE A 63 9.613 0.943 -10.868 1.00 0.00 C ATOM 997 O ILE A 63 8.981 -0.011 -11.319 1.00 0.00 O ATOM 998 CB ILE A 63 9.326 3.325 -11.769 1.00 0.00 C ATOM 999 CG1 ILE A 63 8.604 4.655 -11.548 1.00 0.00 C ATOM 1000 CG2 ILE A 63 9.078 2.763 -13.170 1.00 0.00 C ATOM 1001 CD1 ILE A 63 9.528 5.837 -11.847 1.00 0.00 C ATOM 0 H ILE A 63 9.869 3.628 -9.360 1.00 0.00 H new ATOM 0 HA ILE A 63 7.867 2.149 -10.807 1.00 0.00 H new ATOM 0 HB ILE A 63 10.395 3.522 -11.686 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.724 4.706 -12.189 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.252 4.715 -10.518 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.360 3.506 -13.915 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.675 1.862 -13.312 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.022 2.519 -13.283 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.990 6.770 -11.682 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.395 5.797 -11.188 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.858 5.787 -12.885 1.00 0.00 H new ATOM 1013 N GLU A 64 10.885 0.896 -10.503 1.00 0.00 N ATOM 1014 CA GLU A 64 11.650 -0.335 -10.614 1.00 0.00 C ATOM 1015 C GLU A 64 11.502 -1.169 -9.339 1.00 0.00 C ATOM 1016 O GLU A 64 11.506 -2.397 -9.393 1.00 0.00 O ATOM 1017 CB GLU A 64 13.123 -0.040 -10.908 1.00 0.00 C ATOM 1018 CG GLU A 64 13.262 1.031 -11.992 1.00 0.00 C ATOM 1019 CD GLU A 64 13.351 0.396 -13.381 1.00 0.00 C ATOM 1020 OE1 GLU A 64 12.296 -0.073 -13.860 1.00 0.00 O ATOM 1021 OE2 GLU A 64 14.473 0.395 -13.933 1.00 0.00 O ATOM 0 H GLU A 64 11.406 1.690 -10.130 1.00 0.00 H new ATOM 0 HA GLU A 64 11.254 -0.912 -11.450 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.620 0.293 -9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.624 -0.954 -11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.408 1.708 -11.951 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.153 1.630 -11.804 1.00 0.00 H new ATOM 1028 N ILE A 65 11.375 -0.467 -8.223 1.00 0.00 N ATOM 1029 CA ILE A 65 11.226 -1.127 -6.937 1.00 0.00 C ATOM 1030 C ILE A 65 9.991 -2.030 -6.973 1.00 0.00 C ATOM 1031 O ILE A 65 10.085 -3.226 -6.702 1.00 0.00 O ATOM 1032 CB ILE A 65 11.202 -0.097 -5.806 1.00 0.00 C ATOM 1033 CG1 ILE A 65 12.409 0.839 -5.891 1.00 0.00 C ATOM 1034 CG2 ILE A 65 11.104 -0.784 -4.442 1.00 0.00 C ATOM 1035 CD1 ILE A 65 12.503 1.728 -4.649 1.00 0.00 C ATOM 0 H ILE A 65 11.372 0.552 -8.182 1.00 0.00 H new ATOM 0 HA ILE A 65 12.085 -1.768 -6.735 1.00 0.00 H new ATOM 0 HB ILE A 65 10.310 0.518 -5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.322 0.252 -5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.329 1.461 -6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 65 11.089 -0.030 -3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.189 -1.374 -4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.965 -1.438 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.370 2.383 -4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.599 2.331 -4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.607 1.104 -3.762 1.00 0.00 H new ATOM 1047 N LEU A 66 8.863 -1.423 -7.309 1.00 0.00 N ATOM 1048 CA LEU A 66 7.611 -2.157 -7.383 1.00 0.00 C ATOM 1049 C LEU A 66 7.715 -3.224 -8.474 1.00 0.00 C ATOM 1050 O LEU A 66 7.240 -4.345 -8.298 1.00 0.00 O ATOM 1051 CB LEU A 66 6.436 -1.196 -7.574 1.00 0.00 C ATOM 1052 CG LEU A 66 5.948 -0.475 -6.315 1.00 0.00 C ATOM 1053 CD1 LEU A 66 5.637 -1.473 -5.198 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.952 0.590 -5.869 1.00 0.00 C ATOM 0 H LEU A 66 8.789 -0.431 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 66 7.418 -2.676 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.722 -0.445 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.600 -1.754 -7.996 1.00 0.00 H new ATOM 0 HG LEU A 66 5.018 0.040 -6.555 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.292 -0.935 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.859 -2.161 -5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.538 -2.036 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.581 1.087 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.910 0.118 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.081 1.324 -6.664 1.00 0.00 H new ATOM 1066 N LYS A 67 8.339 -2.839 -9.577 1.00 0.00 N ATOM 1067 CA LYS A 67 8.512 -3.749 -10.697 1.00 0.00 C ATOM 1068 C LYS A 67 9.138 -5.052 -10.197 1.00 0.00 C ATOM 1069 O LYS A 67 8.529 -6.116 -10.301 1.00 0.00 O ATOM 1070 CB LYS A 67 9.307 -3.075 -11.817 1.00 0.00 C ATOM 1071 CG LYS A 67 8.475 -2.979 -13.098 1.00 0.00 C ATOM 1072 CD LYS A 67 9.370 -3.030 -14.338 1.00 0.00 C ATOM 1073 CE LYS A 67 8.560 -2.775 -15.610 1.00 0.00 C ATOM 1074 NZ LYS A 67 9.347 -3.142 -16.809 1.00 0.00 N ATOM 0 H LYS A 67 8.732 -1.908 -9.720 1.00 0.00 H new ATOM 0 HA LYS A 67 7.546 -4.005 -11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.612 -2.077 -11.502 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.218 -3.640 -12.012 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.755 -3.797 -13.131 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.903 -2.051 -13.096 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.161 -2.285 -14.251 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.855 -4.004 -14.401 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.637 -3.354 -15.582 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.275 -1.724 -15.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.782 -2.963 -17.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.216 -2.571 -16.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.597 -4.151 -16.765 1.00 0.00 H new ATOM 1088 N ARG A 68 10.345 -4.927 -9.666 1.00 0.00 N ATOM 1089 CA ARG A 68 11.060 -6.082 -9.150 1.00 0.00 C ATOM 1090 C ARG A 68 10.209 -6.809 -8.107 1.00 0.00 C ATOM 1091 O ARG A 68 10.263 -8.034 -8.002 1.00 0.00 O ATOM 1092 CB ARG A 68 12.389 -5.669 -8.516 1.00 0.00 C ATOM 1093 CG ARG A 68 13.536 -5.785 -9.522 1.00 0.00 C ATOM 1094 CD ARG A 68 14.823 -5.180 -8.959 1.00 0.00 C ATOM 1095 NE ARG A 68 15.711 -6.253 -8.459 1.00 0.00 N ATOM 1096 CZ ARG A 68 16.862 -6.033 -7.809 1.00 0.00 C ATOM 1097 NH1 ARG A 68 17.272 -4.779 -7.576 1.00 0.00 N ATOM 1098 NH2 ARG A 68 17.603 -7.068 -7.391 1.00 0.00 N ATOM 0 H ARG A 68 10.846 -4.043 -9.582 1.00 0.00 H new ATOM 0 HA ARG A 68 11.263 -6.749 -9.988 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.320 -4.643 -8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.594 -6.299 -7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.701 -6.833 -9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.265 -5.277 -10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.333 -4.606 -9.732 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.586 -4.487 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 68 15.429 -7.220 -8.619 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.708 -3.991 -7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.148 -4.613 -7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.291 -8.023 -7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.479 -6.901 -6.896 1.00 0.00 H new ATOM 1112 N MET A 69 9.444 -6.025 -7.362 1.00 0.00 N ATOM 1113 CA MET A 69 8.584 -6.579 -6.330 1.00 0.00 C ATOM 1114 C MET A 69 7.656 -7.649 -6.908 1.00 0.00 C ATOM 1115 O MET A 69 7.647 -8.787 -6.440 1.00 0.00 O ATOM 1116 CB MET A 69 7.748 -5.460 -5.707 1.00 0.00 C ATOM 1117 CG MET A 69 7.786 -5.533 -4.179 1.00 0.00 C ATOM 1118 SD MET A 69 6.518 -4.485 -3.486 1.00 0.00 S ATOM 1119 CE MET A 69 7.528 -3.371 -2.523 1.00 0.00 C ATOM 0 H MET A 69 9.402 -5.010 -7.452 1.00 0.00 H new ATOM 0 HA MET A 69 9.212 -7.041 -5.569 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.125 -4.492 -6.038 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.717 -5.536 -6.053 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.638 -6.562 -3.852 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.765 -5.221 -3.816 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.950 -2.483 -2.269 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.848 -3.869 -1.608 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.404 -3.080 -3.103 1.00 0.00 H new ATOM 1129 N LYS A 70 6.896 -7.247 -7.916 1.00 0.00 N ATOM 1130 CA LYS A 70 5.966 -8.157 -8.562 1.00 0.00 C ATOM 1131 C LYS A 70 6.751 -9.198 -9.363 1.00 0.00 C ATOM 1132 O LYS A 70 6.426 -10.384 -9.334 1.00 0.00 O ATOM 1133 CB LYS A 70 4.947 -7.379 -9.397 1.00 0.00 C ATOM 1134 CG LYS A 70 5.475 -7.128 -10.811 1.00 0.00 C ATOM 1135 CD LYS A 70 5.422 -8.405 -11.652 1.00 0.00 C ATOM 1136 CE LYS A 70 4.620 -8.184 -12.935 1.00 0.00 C ATOM 1137 NZ LYS A 70 5.164 -9.012 -14.035 1.00 0.00 N ATOM 0 H LYS A 70 6.905 -6.303 -8.301 1.00 0.00 H new ATOM 0 HA LYS A 70 5.385 -8.700 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.012 -7.936 -9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.725 -6.428 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.884 -6.348 -11.290 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.501 -6.764 -10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.434 -8.722 -11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.970 -9.209 -11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.573 -8.437 -12.765 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.652 -7.131 -13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.608 -8.850 -14.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.156 -8.752 -14.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.111 -10.017 -13.772 1.00 0.00 H new ATOM 1151 N VAL A 71 7.770 -8.716 -10.060 1.00 0.00 N ATOM 1152 CA VAL A 71 8.604 -9.590 -10.868 1.00 0.00 C ATOM 1153 C VAL A 71 9.237 -10.655 -9.971 1.00 0.00 C ATOM 1154 O VAL A 71 9.495 -11.773 -10.416 1.00 0.00 O ATOM 1155 CB VAL A 71 9.637 -8.764 -11.636 1.00 0.00 C ATOM 1156 CG1 VAL A 71 10.429 -9.642 -12.607 1.00 0.00 C ATOM 1157 CG2 VAL A 71 8.972 -7.598 -12.370 1.00 0.00 C ATOM 0 H VAL A 71 8.037 -7.732 -10.082 1.00 0.00 H new ATOM 0 HA VAL A 71 8.003 -10.109 -11.615 1.00 0.00 H new ATOM 0 HB VAL A 71 10.338 -8.348 -10.912 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.156 -9.030 -13.140 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.949 -10.422 -12.051 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.746 -10.100 -13.323 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.729 -7.027 -12.908 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.238 -7.984 -13.077 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.474 -6.950 -11.648 1.00 0.00 H new ATOM 1167 N ILE A 72 9.470 -10.272 -8.724 1.00 0.00 N ATOM 1168 CA ILE A 72 10.068 -11.180 -7.761 1.00 0.00 C ATOM 1169 C ILE A 72 8.999 -12.143 -7.242 1.00 0.00 C ATOM 1170 O ILE A 72 9.185 -13.359 -7.273 1.00 0.00 O ATOM 1171 CB ILE A 72 10.779 -10.397 -6.655 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.123 -9.854 -7.145 1.00 0.00 C ATOM 1173 CG2 ILE A 72 10.930 -11.246 -5.392 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.159 -10.973 -7.255 1.00 0.00 C ATOM 0 H ILE A 72 9.255 -9.344 -8.359 1.00 0.00 H new ATOM 0 HA ILE A 72 10.839 -11.785 -8.237 1.00 0.00 H new ATOM 0 HB ILE A 72 10.161 -9.538 -6.393 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.994 -9.376 -8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.482 -9.088 -6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.438 -10.666 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.944 -11.541 -5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.515 -12.137 -5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.105 -10.560 -7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.304 -11.432 -6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.808 -11.726 -7.961 1.00 0.00 H new ATOM 1186 N ASP A 73 7.901 -11.564 -6.778 1.00 0.00 N ATOM 1187 CA ASP A 73 6.802 -12.356 -6.253 1.00 0.00 C ATOM 1188 C ASP A 73 5.496 -11.905 -6.909 1.00 0.00 C ATOM 1189 O ASP A 73 5.231 -10.709 -7.016 1.00 0.00 O ATOM 1190 CB ASP A 73 6.661 -12.168 -4.741 1.00 0.00 C ATOM 1191 CG ASP A 73 7.499 -11.034 -4.149 1.00 0.00 C ATOM 1192 OD1 ASP A 73 7.110 -9.866 -4.370 1.00 0.00 O ATOM 1193 OD2 ASP A 73 8.509 -11.359 -3.489 1.00 0.00 O ATOM 0 H ASP A 73 7.749 -10.556 -6.755 1.00 0.00 H new ATOM 0 HA ASP A 73 7.008 -13.404 -6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.612 -11.983 -4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.937 -13.100 -4.247 1.00 0.00 H new ATOM 1198 N GLU A 74 4.713 -12.887 -7.332 1.00 0.00 N ATOM 1199 CA GLU A 74 3.441 -12.607 -7.976 1.00 0.00 C ATOM 1200 C GLU A 74 2.299 -12.719 -6.964 1.00 0.00 C ATOM 1201 O GLU A 74 1.161 -12.363 -7.266 1.00 0.00 O ATOM 1202 CB GLU A 74 3.212 -13.539 -9.167 1.00 0.00 C ATOM 1203 CG GLU A 74 2.648 -14.885 -8.709 1.00 0.00 C ATOM 1204 CD GLU A 74 2.584 -15.877 -9.873 1.00 0.00 C ATOM 1205 OE1 GLU A 74 3.644 -16.081 -10.503 1.00 0.00 O ATOM 1206 OE2 GLU A 74 1.477 -16.409 -10.105 1.00 0.00 O ATOM 0 H GLU A 74 4.935 -13.878 -7.241 1.00 0.00 H new ATOM 0 HA GLU A 74 3.465 -11.586 -8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.523 -13.073 -9.871 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.152 -13.696 -9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.271 -15.293 -7.913 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.651 -14.743 -8.292 1.00 0.00 H new ATOM 1213 N ASN A 75 2.642 -13.215 -5.784 1.00 0.00 N ATOM 1214 CA ASN A 75 1.660 -13.378 -4.726 1.00 0.00 C ATOM 1215 C ASN A 75 1.679 -12.143 -3.823 1.00 0.00 C ATOM 1216 O ASN A 75 0.807 -11.979 -2.971 1.00 0.00 O ATOM 1217 CB ASN A 75 1.978 -14.601 -3.863 1.00 0.00 C ATOM 1218 CG ASN A 75 0.695 -15.261 -3.354 1.00 0.00 C ATOM 1219 OD1 ASN A 75 -0.290 -15.391 -4.062 1.00 0.00 O ATOM 1220 ND2 ASN A 75 0.761 -15.668 -2.090 1.00 0.00 N ATOM 0 H ASN A 75 3.587 -13.509 -5.538 1.00 0.00 H new ATOM 0 HA ASN A 75 0.683 -13.509 -5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.556 -15.320 -4.444 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.598 -14.303 -3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.044 -16.120 -1.657 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.617 -15.528 -1.553 1.00 0.00 H new ATOM 1227 N ILE A 76 2.684 -11.307 -4.040 1.00 0.00 N ATOM 1228 CA ILE A 76 2.828 -10.092 -3.256 1.00 0.00 C ATOM 1229 C ILE A 76 1.606 -9.199 -3.476 1.00 0.00 C ATOM 1230 O ILE A 76 1.258 -8.887 -4.614 1.00 0.00 O ATOM 1231 CB ILE A 76 4.158 -9.405 -3.573 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.408 -8.230 -2.625 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.218 -8.979 -5.042 1.00 0.00 C ATOM 1234 CD1 ILE A 76 5.402 -7.238 -3.232 1.00 0.00 C ATOM 0 H ILE A 76 3.406 -11.447 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 76 2.863 -10.327 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 76 4.961 -10.124 -3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.467 -7.723 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.793 -8.600 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.173 -8.493 -5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.117 -9.857 -5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.406 -8.283 -5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.562 -6.413 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.350 -7.742 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.003 -6.851 -4.170 1.00 0.00 H new ATOM 1246 N ARG A 77 0.988 -8.813 -2.370 1.00 0.00 N ATOM 1247 CA ARG A 77 -0.189 -7.962 -2.429 1.00 0.00 C ATOM 1248 C ARG A 77 0.144 -6.560 -1.912 1.00 0.00 C ATOM 1249 O ARG A 77 0.364 -6.371 -0.717 1.00 0.00 O ATOM 1250 CB ARG A 77 -1.333 -8.545 -1.598 1.00 0.00 C ATOM 1251 CG ARG A 77 -2.228 -7.436 -1.041 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.653 -7.944 -0.815 1.00 0.00 C ATOM 1253 NE ARG A 77 -3.708 -8.772 0.410 1.00 0.00 N ATOM 1254 CZ ARG A 77 -4.709 -9.612 0.705 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -5.745 -9.741 -0.135 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -4.674 -10.324 1.840 1.00 0.00 N ATOM 0 H ARG A 77 1.280 -9.073 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.505 -7.905 -3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.926 -9.221 -2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.926 -9.136 -0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.816 -7.068 -0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.244 -6.594 -1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.338 -7.101 -0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.979 -8.530 -1.674 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.935 -8.699 1.072 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.771 -9.200 -0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.507 -10.381 0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.885 -10.226 2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.436 -10.964 2.065 1.00 0.00 H new ATOM 1270 N VAL A 78 0.170 -5.614 -2.839 1.00 0.00 N ATOM 1271 CA VAL A 78 0.472 -4.235 -2.492 1.00 0.00 C ATOM 1272 C VAL A 78 -0.387 -3.299 -3.346 1.00 0.00 C ATOM 1273 O VAL A 78 -0.685 -3.605 -4.499 1.00 0.00 O ATOM 1274 CB VAL A 78 1.972 -3.974 -2.644 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.262 -2.474 -2.723 1.00 0.00 C ATOM 1276 CG2 VAL A 78 2.760 -4.626 -1.506 1.00 0.00 C ATOM 0 H VAL A 78 -0.013 -5.775 -3.830 1.00 0.00 H new ATOM 0 HA VAL A 78 0.226 -4.041 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 78 2.298 -4.428 -3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.335 -2.316 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.744 -2.048 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.913 -1.988 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.823 -4.425 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.429 -4.215 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.590 -5.703 -1.516 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.760 -2.179 -2.745 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.578 -1.197 -3.436 1.00 0.00 C ATOM 1288 C ILE A 79 -0.740 0.052 -3.716 1.00 0.00 C ATOM 1289 O ILE A 79 0.084 0.449 -2.894 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.857 -0.914 -2.645 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -4.030 -1.734 -3.188 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.167 0.584 -2.621 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.366 -1.070 -2.850 1.00 0.00 C ATOM 0 H ILE A 79 -0.511 -1.930 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.906 -1.585 -4.401 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.697 -1.226 -1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.935 -1.839 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.002 -2.739 -2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.081 0.757 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.341 1.119 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.300 0.944 -3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.183 -1.673 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.468 -0.988 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.400 -0.075 -3.294 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.980 0.638 -4.881 1.00 0.00 N ATOM 1306 CA ILE A 80 -0.258 1.834 -5.280 1.00 0.00 C ATOM 1307 C ILE A 80 -1.151 3.058 -5.070 1.00 0.00 C ATOM 1308 O ILE A 80 -2.376 2.944 -5.071 1.00 0.00 O ATOM 1309 CB ILE A 80 0.265 1.691 -6.711 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.859 1.901 -7.728 1.00 0.00 C ATOM 1311 CG2 ILE A 80 0.972 0.349 -6.906 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -1.278 3.371 -7.788 1.00 0.00 C ATOM 0 H ILE A 80 -1.664 0.306 -5.561 1.00 0.00 H new ATOM 0 HA ILE A 80 0.624 1.973 -4.655 1.00 0.00 H new ATOM 0 HB ILE A 80 1.006 2.472 -6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.528 1.573 -8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.717 1.285 -7.459 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.334 0.274 -7.932 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.815 0.278 -6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.272 -0.463 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.078 3.492 -8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.631 3.689 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.424 3.981 -8.081 1.00 0.00 H new ATOM 1324 N MET A 81 -0.504 4.200 -4.895 1.00 0.00 N ATOM 1325 CA MET A 81 -1.224 5.444 -4.685 1.00 0.00 C ATOM 1326 C MET A 81 -0.573 6.593 -5.458 1.00 0.00 C ATOM 1327 O MET A 81 0.643 6.771 -5.404 1.00 0.00 O ATOM 1328 CB MET A 81 -1.242 5.778 -3.192 1.00 0.00 C ATOM 1329 CG MET A 81 -0.305 4.853 -2.412 1.00 0.00 C ATOM 1330 SD MET A 81 -0.045 5.493 -0.767 1.00 0.00 S ATOM 1331 CE MET A 81 1.535 4.753 -0.392 1.00 0.00 C ATOM 0 H MET A 81 0.512 4.290 -4.894 1.00 0.00 H new ATOM 0 HA MET A 81 -2.243 5.318 -5.050 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.941 6.815 -3.044 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.257 5.682 -2.806 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.732 3.851 -2.358 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.649 4.766 -2.932 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.815 4.993 0.634 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.466 3.671 -0.505 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.290 5.142 -1.075 1.00 0.00 H new ATOM 1341 N THR A 82 -1.411 7.343 -6.158 1.00 0.00 N ATOM 1342 CA THR A 82 -0.932 8.469 -6.941 1.00 0.00 C ATOM 1343 C THR A 82 -2.087 9.116 -7.708 1.00 0.00 C ATOM 1344 O THR A 82 -2.983 8.423 -8.187 1.00 0.00 O ATOM 1345 CB THR A 82 0.195 7.970 -7.848 1.00 0.00 C ATOM 1346 OG1 THR A 82 0.229 8.916 -8.913 1.00 0.00 O ATOM 1347 CG2 THR A 82 -0.149 6.647 -8.535 1.00 0.00 C ATOM 0 H THR A 82 -2.419 7.193 -6.199 1.00 0.00 H new ATOM 0 HA THR A 82 -0.530 9.253 -6.300 1.00 0.00 H new ATOM 0 HB THR A 82 1.106 7.848 -7.261 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.921 8.658 -9.558 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.684 6.338 -9.166 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.336 5.883 -7.780 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.041 6.777 -9.148 1.00 0.00 H new ATOM 1355 N ALA A 83 -2.028 10.436 -7.800 1.00 0.00 N ATOM 1356 CA ALA A 83 -3.058 11.184 -8.500 1.00 0.00 C ATOM 1357 C ALA A 83 -3.176 10.662 -9.934 1.00 0.00 C ATOM 1358 O ALA A 83 -2.237 10.068 -10.460 1.00 0.00 O ATOM 1359 CB ALA A 83 -2.730 12.678 -8.449 1.00 0.00 C ATOM 0 H ALA A 83 -1.283 11.007 -7.401 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.026 11.046 -8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.503 13.238 -8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.687 13.006 -7.410 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.766 12.855 -8.926 1.00 0.00 H new ATOM 1365 N TYR A 84 -4.338 10.904 -10.524 1.00 0.00 N ATOM 1366 CA TYR A 84 -4.590 10.466 -11.886 1.00 0.00 C ATOM 1367 C TYR A 84 -3.911 11.394 -12.895 1.00 0.00 C ATOM 1368 O TYR A 84 -4.549 11.870 -13.833 1.00 0.00 O ATOM 1369 CB TYR A 84 -6.106 10.543 -12.079 1.00 0.00 C ATOM 1370 CG TYR A 84 -6.685 11.948 -11.906 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -7.039 12.399 -10.651 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -6.853 12.766 -13.005 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -7.584 13.722 -10.488 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -7.397 14.089 -12.842 1.00 0.00 C ATOM 1375 CZ TYR A 84 -7.736 14.501 -11.592 1.00 0.00 C ATOM 1376 OH TYR A 84 -8.251 15.751 -11.438 1.00 0.00 O ATOM 0 H TYR A 84 -5.115 11.397 -10.084 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.199 9.461 -12.045 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.354 10.179 -13.076 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.587 9.873 -11.367 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.907 11.760 -9.791 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.576 12.413 -13.988 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.866 14.087 -9.511 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.533 14.739 -13.694 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.302 16.194 -12.311 1.00 0.00 H new ATOM 1386 N GLY A 85 -2.626 11.624 -12.669 1.00 0.00 N ATOM 1387 CA GLY A 85 -1.854 12.486 -13.546 1.00 0.00 C ATOM 1388 C GLY A 85 -0.783 11.690 -14.294 1.00 0.00 C ATOM 1389 O GLY A 85 -0.507 11.958 -15.463 1.00 0.00 O ATOM 0 H GLY A 85 -2.100 11.228 -11.890 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.518 12.971 -14.262 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.383 13.277 -12.962 1.00 0.00 H new ATOM 1393 N GLU A 86 -0.208 10.726 -13.590 1.00 0.00 N ATOM 1394 CA GLU A 86 0.827 9.889 -14.172 1.00 0.00 C ATOM 1395 C GLU A 86 0.287 8.482 -14.434 1.00 0.00 C ATOM 1396 O GLU A 86 0.920 7.492 -14.071 1.00 0.00 O ATOM 1397 CB GLU A 86 2.065 9.842 -13.274 1.00 0.00 C ATOM 1398 CG GLU A 86 1.669 9.705 -11.802 1.00 0.00 C ATOM 1399 CD GLU A 86 2.834 9.164 -10.970 1.00 0.00 C ATOM 1400 OE1 GLU A 86 3.911 9.795 -11.026 1.00 0.00 O ATOM 1401 OE2 GLU A 86 2.620 8.133 -10.296 1.00 0.00 O ATOM 0 H GLU A 86 -0.440 10.506 -12.621 1.00 0.00 H new ATOM 0 HA GLU A 86 1.126 10.326 -15.125 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.697 9.003 -13.564 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.654 10.748 -13.413 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.359 10.675 -11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.812 9.037 -11.713 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.879 8.438 -15.063 1.00 0.00 N ATOM 1409 CA LEU A 87 -1.512 7.169 -15.378 1.00 0.00 C ATOM 1410 C LEU A 87 -0.471 6.218 -15.973 1.00 0.00 C ATOM 1411 O LEU A 87 -0.474 5.024 -15.677 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.731 7.386 -16.277 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.839 8.271 -15.702 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -4.596 8.995 -16.816 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.777 7.461 -14.804 1.00 0.00 C ATOM 0 H LEU A 87 -1.401 9.261 -15.363 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.893 6.699 -14.471 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.392 7.826 -17.215 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.159 6.413 -16.517 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.376 9.036 -15.078 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.378 9.617 -16.380 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.904 9.623 -17.378 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.047 8.262 -17.485 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.555 8.114 -14.408 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.235 6.660 -15.385 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.209 7.031 -13.979 1.00 0.00 H new ATOM 1427 N ASP A 88 0.395 6.784 -16.801 1.00 0.00 N ATOM 1428 CA ASP A 88 1.440 6.002 -17.440 1.00 0.00 C ATOM 1429 C ASP A 88 2.091 5.085 -16.404 1.00 0.00 C ATOM 1430 O ASP A 88 2.410 3.935 -16.700 1.00 0.00 O ATOM 1431 CB ASP A 88 2.528 6.907 -18.021 1.00 0.00 C ATOM 1432 CG ASP A 88 2.868 6.649 -19.490 1.00 0.00 C ATOM 1433 OD1 ASP A 88 1.977 6.129 -20.196 1.00 0.00 O ATOM 1434 OD2 ASP A 88 4.012 6.977 -19.874 1.00 0.00 O ATOM 0 H ASP A 88 0.394 7.775 -17.044 1.00 0.00 H new ATOM 0 HA ASP A 88 0.984 5.424 -18.244 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.212 7.945 -17.914 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.434 6.787 -17.428 1.00 0.00 H new ATOM 1439 N MET A 89 2.269 5.628 -15.208 1.00 0.00 N ATOM 1440 CA MET A 89 2.876 4.873 -14.126 1.00 0.00 C ATOM 1441 C MET A 89 1.868 3.908 -13.498 1.00 0.00 C ATOM 1442 O MET A 89 2.178 2.738 -13.277 1.00 0.00 O ATOM 1443 CB MET A 89 3.393 5.838 -13.057 1.00 0.00 C ATOM 1444 CG MET A 89 4.605 5.253 -12.330 1.00 0.00 C ATOM 1445 SD MET A 89 4.136 3.768 -11.457 1.00 0.00 S ATOM 1446 CE MET A 89 5.617 3.489 -10.501 1.00 0.00 C ATOM 0 H MET A 89 2.003 6.582 -14.965 1.00 0.00 H new ATOM 0 HA MET A 89 3.703 4.291 -14.533 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.665 6.787 -13.520 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.601 6.049 -12.339 1.00 0.00 H new ATOM 0 HG2 MET A 89 5.396 5.029 -13.046 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.007 5.985 -11.629 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.462 2.646 -9.828 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.447 3.270 -11.172 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.847 4.381 -9.918 1.00 0.00 H new ATOM 1456 N ILE A 90 0.683 4.434 -13.227 1.00 0.00 N ATOM 1457 CA ILE A 90 -0.372 3.633 -12.629 1.00 0.00 C ATOM 1458 C ILE A 90 -0.586 2.371 -13.467 1.00 0.00 C ATOM 1459 O ILE A 90 -0.695 1.273 -12.925 1.00 0.00 O ATOM 1460 CB ILE A 90 -1.639 4.470 -12.443 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -1.430 5.553 -11.382 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.842 3.580 -12.124 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -1.567 6.950 -11.990 1.00 0.00 C ATOM 0 H ILE A 90 0.430 5.405 -13.410 1.00 0.00 H new ATOM 0 HA ILE A 90 -0.083 3.307 -11.630 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.854 4.978 -13.383 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.159 5.428 -10.581 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.442 5.443 -10.934 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.730 4.200 -11.997 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.003 2.879 -12.943 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.651 3.026 -11.205 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.414 7.701 -11.215 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.821 7.080 -12.774 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.564 7.066 -12.415 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.641 2.571 -14.776 1.00 0.00 N ATOM 1476 CA GLN A 91 -0.841 1.463 -15.694 1.00 0.00 C ATOM 1477 C GLN A 91 0.161 0.344 -15.402 1.00 0.00 C ATOM 1478 O GLN A 91 -0.231 -0.785 -15.110 1.00 0.00 O ATOM 1479 CB GLN A 91 -0.733 1.929 -17.148 1.00 0.00 C ATOM 1480 CG GLN A 91 -2.102 2.336 -17.696 1.00 0.00 C ATOM 1481 CD GLN A 91 -2.519 1.431 -18.857 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -2.182 0.260 -18.918 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -3.268 2.038 -19.774 1.00 0.00 N ATOM 0 H GLN A 91 -0.551 3.484 -15.222 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.847 1.071 -15.546 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.046 2.773 -17.213 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.315 1.129 -17.760 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.847 2.281 -16.902 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.070 3.373 -18.032 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.514 3.021 -19.662 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.596 1.520 -20.589 1.00 0.00 H new ATOM 1492 N GLU A 92 1.435 0.696 -15.490 1.00 0.00 N ATOM 1493 CA GLU A 92 2.496 -0.264 -15.238 1.00 0.00 C ATOM 1494 C GLU A 92 2.250 -0.993 -13.916 1.00 0.00 C ATOM 1495 O GLU A 92 2.376 -2.215 -13.844 1.00 0.00 O ATOM 1496 CB GLU A 92 3.866 0.418 -15.241 1.00 0.00 C ATOM 1497 CG GLU A 92 4.670 0.028 -16.483 1.00 0.00 C ATOM 1498 CD GLU A 92 4.117 0.715 -17.733 1.00 0.00 C ATOM 1499 OE1 GLU A 92 2.874 0.734 -17.867 1.00 0.00 O ATOM 1500 OE2 GLU A 92 4.949 1.205 -18.527 1.00 0.00 O ATOM 0 H GLU A 92 1.757 1.633 -15.732 1.00 0.00 H new ATOM 0 HA GLU A 92 2.491 -0.999 -16.042 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.738 1.500 -15.212 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.418 0.138 -14.344 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.716 0.304 -16.345 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.640 -1.054 -16.615 1.00 0.00 H new ATOM 1507 N SER A 93 1.903 -0.213 -12.903 1.00 0.00 N ATOM 1508 CA SER A 93 1.637 -0.769 -11.587 1.00 0.00 C ATOM 1509 C SER A 93 0.515 -1.805 -11.673 1.00 0.00 C ATOM 1510 O SER A 93 0.652 -2.918 -11.167 1.00 0.00 O ATOM 1511 CB SER A 93 1.269 0.330 -10.589 1.00 0.00 C ATOM 1512 OG SER A 93 -0.121 0.640 -10.625 1.00 0.00 O ATOM 0 H SER A 93 1.800 0.800 -12.967 1.00 0.00 H new ATOM 0 HA SER A 93 2.545 -1.256 -11.232 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.544 0.013 -9.583 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.847 1.228 -10.809 1.00 0.00 H new ATOM 0 HG SER A 93 -0.303 1.240 -11.378 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.570 -1.403 -12.319 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.715 -2.283 -12.478 1.00 0.00 C ATOM 1520 C LYS A 94 -1.290 -3.531 -13.255 1.00 0.00 C ATOM 1521 O LYS A 94 -1.719 -4.640 -12.938 1.00 0.00 O ATOM 1522 CB LYS A 94 -2.884 -1.531 -13.117 1.00 0.00 C ATOM 1523 CG LYS A 94 -4.076 -1.455 -12.159 1.00 0.00 C ATOM 1524 CD LYS A 94 -5.323 -2.083 -12.786 1.00 0.00 C ATOM 1525 CE LYS A 94 -6.584 -1.314 -12.385 1.00 0.00 C ATOM 1526 NZ LYS A 94 -7.778 -2.180 -12.503 1.00 0.00 N ATOM 0 H LYS A 94 -0.680 -0.480 -12.738 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.075 -2.619 -11.505 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.568 -0.524 -13.390 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.184 -2.032 -14.037 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.833 -1.969 -11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.277 -0.414 -11.904 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.225 -2.088 -13.872 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.410 -3.122 -12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.488 -0.955 -11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.700 -0.436 -13.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.625 -1.643 -12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.877 -2.502 -13.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.672 -3.004 -11.878 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.452 -3.309 -14.257 1.00 0.00 N ATOM 1541 CA GLU A 95 0.035 -4.402 -15.081 1.00 0.00 C ATOM 1542 C GLU A 95 1.159 -5.149 -14.360 1.00 0.00 C ATOM 1543 O GLU A 95 1.568 -6.227 -14.790 1.00 0.00 O ATOM 1544 CB GLU A 95 0.503 -3.892 -16.446 1.00 0.00 C ATOM 1545 CG GLU A 95 -0.594 -3.076 -17.132 1.00 0.00 C ATOM 1546 CD GLU A 95 -1.703 -3.987 -17.663 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -1.369 -4.870 -18.482 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -2.860 -3.778 -17.238 1.00 0.00 O ATOM 0 H GLU A 95 -0.098 -2.388 -14.517 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.786 -5.098 -15.252 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.395 -3.278 -16.322 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.782 -4.736 -17.077 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.014 -2.359 -16.427 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.165 -2.502 -17.953 1.00 0.00 H new ATOM 1555 N LEU A 96 1.626 -4.548 -13.276 1.00 0.00 N ATOM 1556 CA LEU A 96 2.694 -5.144 -12.491 1.00 0.00 C ATOM 1557 C LEU A 96 2.120 -6.268 -11.627 1.00 0.00 C ATOM 1558 O LEU A 96 2.859 -7.128 -11.149 1.00 0.00 O ATOM 1559 CB LEU A 96 3.435 -4.070 -11.692 1.00 0.00 C ATOM 1560 CG LEU A 96 4.853 -3.743 -12.163 1.00 0.00 C ATOM 1561 CD1 LEU A 96 4.860 -3.324 -13.634 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.499 -2.687 -11.263 1.00 0.00 C ATOM 0 H LEU A 96 1.285 -3.654 -12.922 1.00 0.00 H new ATOM 0 HA LEU A 96 3.441 -5.594 -13.144 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.845 -3.154 -11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.484 -4.389 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 96 5.456 -4.647 -12.084 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.880 -3.097 -13.943 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.468 -4.137 -14.246 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.237 -2.439 -13.763 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.507 -2.472 -11.619 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.903 -1.774 -11.287 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.548 -3.061 -10.240 1.00 0.00 H new ATOM 1574 N GLY A 97 0.807 -6.225 -11.451 1.00 0.00 N ATOM 1575 CA GLY A 97 0.126 -7.229 -10.652 1.00 0.00 C ATOM 1576 C GLY A 97 -0.314 -6.651 -9.305 1.00 0.00 C ATOM 1577 O GLY A 97 -0.471 -7.387 -8.332 1.00 0.00 O ATOM 0 H GLY A 97 0.197 -5.510 -11.848 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.744 -7.602 -11.193 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.788 -8.079 -10.488 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.500 -5.340 -9.292 1.00 0.00 N ATOM 1582 CA ALA A 98 -0.918 -4.656 -8.080 1.00 0.00 C ATOM 1583 C ALA A 98 -2.421 -4.857 -7.879 1.00 0.00 C ATOM 1584 O ALA A 98 -3.143 -5.163 -8.827 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.535 -3.177 -8.170 1.00 0.00 C ATOM 0 H ALA A 98 -0.369 -4.733 -10.101 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.410 -5.072 -7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.849 -2.664 -7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.545 -3.087 -8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.029 -2.725 -9.030 1.00 0.00 H new ATOM 1591 N LEU A 99 -2.849 -4.677 -6.638 1.00 0.00 N ATOM 1592 CA LEU A 99 -4.254 -4.835 -6.300 1.00 0.00 C ATOM 1593 C LEU A 99 -5.084 -3.836 -7.109 1.00 0.00 C ATOM 1594 O LEU A 99 -6.075 -4.210 -7.735 1.00 0.00 O ATOM 1595 CB LEU A 99 -4.457 -4.721 -4.788 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.937 -5.892 -3.952 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -4.721 -7.171 -4.251 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -2.432 -6.083 -4.152 1.00 0.00 C ATOM 0 H LEU A 99 -2.248 -4.423 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.601 -5.832 -6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.969 -3.809 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.523 -4.605 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.095 -5.656 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.331 -7.987 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.774 -7.015 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.618 -7.423 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.088 -6.922 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.228 -6.286 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.907 -5.177 -3.849 1.00 0.00 H new ATOM 1610 N THR A 100 -4.648 -2.585 -7.071 1.00 0.00 N ATOM 1611 CA THR A 100 -5.339 -1.530 -7.792 1.00 0.00 C ATOM 1612 C THR A 100 -4.479 -0.266 -7.840 1.00 0.00 C ATOM 1613 O THR A 100 -3.257 -0.337 -7.720 1.00 0.00 O ATOM 1614 CB THR A 100 -6.700 -1.315 -7.127 1.00 0.00 C ATOM 1615 OG1 THR A 100 -7.318 -0.305 -7.921 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.580 -0.678 -5.741 1.00 0.00 C ATOM 0 H THR A 100 -3.825 -2.279 -6.552 1.00 0.00 H new ATOM 0 HA THR A 100 -5.510 -1.808 -8.832 1.00 0.00 H new ATOM 0 HB THR A 100 -7.219 -2.270 -7.044 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.207 -0.105 -7.561 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.574 -0.547 -5.313 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.988 -1.325 -5.093 1.00 0.00 H new ATOM 0 HG23 THR A 100 -6.092 0.293 -5.828 1.00 0.00 H new ATOM 1624 N HIS A 101 -5.151 0.863 -8.014 1.00 0.00 N ATOM 1625 CA HIS A 101 -4.464 2.141 -8.079 1.00 0.00 C ATOM 1626 C HIS A 101 -5.317 3.217 -7.404 1.00 0.00 C ATOM 1627 O HIS A 101 -6.465 3.436 -7.787 1.00 0.00 O ATOM 1628 CB HIS A 101 -4.103 2.491 -9.524 1.00 0.00 C ATOM 1629 CG HIS A 101 -5.297 2.779 -10.403 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -5.955 1.793 -11.118 1.00 0.00 N ATOM 1631 CD2 HIS A 101 -5.943 3.948 -10.674 1.00 0.00 C ATOM 1632 CE1 HIS A 101 -6.951 2.357 -11.786 1.00 0.00 C ATOM 1633 NE2 HIS A 101 -6.942 3.692 -11.510 1.00 0.00 N ATOM 0 H HIS A 101 -6.165 0.919 -8.112 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.521 2.079 -7.535 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.447 3.362 -9.523 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.537 1.666 -9.956 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.686 4.918 -10.276 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -7.648 1.848 -12.435 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.595 4.381 -11.884 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.722 3.860 -6.410 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.413 4.908 -5.677 1.00 0.00 C ATOM 1643 C PHE A 102 -4.873 6.289 -6.056 1.00 0.00 C ATOM 1644 O PHE A 102 -3.762 6.405 -6.571 1.00 0.00 O ATOM 1645 CB PHE A 102 -5.151 4.661 -4.190 1.00 0.00 C ATOM 1646 CG PHE A 102 -5.468 5.861 -3.295 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -4.573 6.879 -3.179 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -6.645 5.910 -2.615 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -4.867 7.992 -2.349 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -6.939 7.023 -1.784 1.00 0.00 C ATOM 1651 CZ PHE A 102 -6.044 8.041 -1.668 1.00 0.00 C ATOM 0 H PHE A 102 -3.770 3.676 -6.095 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.477 4.887 -5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.747 3.809 -3.863 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.104 4.387 -4.056 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.638 6.840 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.356 5.102 -2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -4.156 8.800 -2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.873 7.062 -1.244 1.00 0.00 H new ATOM 0 HZ PHE A 102 -6.268 8.888 -1.036 1.00 0.00 H new ATOM 1661 N ALA A 103 -5.684 7.301 -5.785 1.00 0.00 N ATOM 1662 CA ALA A 103 -5.302 8.669 -6.091 1.00 0.00 C ATOM 1663 C ALA A 103 -5.385 9.513 -4.818 1.00 0.00 C ATOM 1664 O ALA A 103 -6.268 9.306 -3.987 1.00 0.00 O ATOM 1665 CB ALA A 103 -6.195 9.211 -7.209 1.00 0.00 C ATOM 0 H ALA A 103 -6.604 7.201 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.273 8.710 -6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.908 10.237 -7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.078 8.594 -8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.236 9.189 -6.886 1.00 0.00 H new ATOM 1671 N LYS A 104 -4.453 10.449 -4.705 1.00 0.00 N ATOM 1672 CA LYS A 104 -4.410 11.326 -3.547 1.00 0.00 C ATOM 1673 C LYS A 104 -5.829 11.791 -3.212 1.00 0.00 C ATOM 1674 O LYS A 104 -6.323 11.544 -2.113 1.00 0.00 O ATOM 1675 CB LYS A 104 -3.426 12.474 -3.781 1.00 0.00 C ATOM 1676 CG LYS A 104 -2.256 12.402 -2.798 1.00 0.00 C ATOM 1677 CD LYS A 104 -1.037 13.152 -3.340 1.00 0.00 C ATOM 1678 CE LYS A 104 -0.951 14.559 -2.745 1.00 0.00 C ATOM 1679 NZ LYS A 104 0.454 14.906 -2.437 1.00 0.00 N ATOM 0 H LYS A 104 -3.722 10.619 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.036 10.789 -2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.050 12.433 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.941 13.428 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.554 12.829 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.994 11.360 -2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.129 12.597 -3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.098 13.216 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.365 15.283 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.553 14.614 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.495 15.864 -2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.837 14.225 -1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.019 14.873 -3.310 1.00 0.00 H new ATOM 1693 N PRO A 105 -6.460 12.473 -4.204 1.00 0.00 N ATOM 1694 CA PRO A 105 -7.812 12.975 -4.025 1.00 0.00 C ATOM 1695 C PRO A 105 -8.833 11.839 -4.109 1.00 0.00 C ATOM 1696 O PRO A 105 -9.507 11.679 -5.125 1.00 0.00 O ATOM 1697 CB PRO A 105 -7.992 14.018 -5.116 1.00 0.00 C ATOM 1698 CG PRO A 105 -6.913 13.733 -6.148 1.00 0.00 C ATOM 1699 CD PRO A 105 -5.905 12.784 -5.519 1.00 0.00 C ATOM 0 HA PRO A 105 -7.971 13.416 -3.041 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.985 13.951 -5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.891 15.026 -4.713 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.349 13.289 -7.043 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.426 14.658 -6.456 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.781 11.883 -6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.923 13.249 -5.435 1.00 0.00 H new ATOM 1707 N PHE A 106 -8.917 11.080 -3.026 1.00 0.00 N ATOM 1708 CA PHE A 106 -9.845 9.963 -2.964 1.00 0.00 C ATOM 1709 C PHE A 106 -10.716 10.044 -1.709 1.00 0.00 C ATOM 1710 O PHE A 106 -10.393 10.770 -0.771 1.00 0.00 O ATOM 1711 CB PHE A 106 -9.005 8.686 -2.907 1.00 0.00 C ATOM 1712 CG PHE A 106 -8.940 7.923 -4.232 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -8.788 8.602 -5.400 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -9.034 6.567 -4.241 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -8.727 7.895 -6.630 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -8.973 5.859 -5.470 1.00 0.00 C ATOM 1717 CZ PHE A 106 -8.821 6.538 -6.639 1.00 0.00 C ATOM 0 H PHE A 106 -8.357 11.217 -2.184 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.504 9.977 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -7.992 8.943 -2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.415 8.028 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.714 9.679 -5.392 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.155 6.028 -3.313 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -8.606 8.434 -7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.047 4.782 -5.477 1.00 0.00 H new ATOM 0 HZ PHE A 106 -8.775 6.000 -7.574 1.00 0.00 H new ATOM 1727 N ASP A 107 -11.804 9.288 -1.734 1.00 0.00 N ATOM 1728 CA ASP A 107 -12.725 9.265 -0.610 1.00 0.00 C ATOM 1729 C ASP A 107 -12.627 7.910 0.096 1.00 0.00 C ATOM 1730 O ASP A 107 -12.450 6.880 -0.553 1.00 0.00 O ATOM 1731 CB ASP A 107 -14.169 9.452 -1.077 1.00 0.00 C ATOM 1732 CG ASP A 107 -15.030 10.342 -0.178 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -14.436 11.000 0.703 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -16.261 10.344 -0.393 1.00 0.00 O ATOM 0 H ASP A 107 -12.068 8.687 -2.515 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.456 10.079 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -14.158 9.877 -2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -14.641 8.472 -1.151 1.00 0.00 H new ATOM 1739 N ILE A 108 -12.747 7.956 1.414 1.00 0.00 N ATOM 1740 CA ILE A 108 -12.675 6.745 2.214 1.00 0.00 C ATOM 1741 C ILE A 108 -13.734 5.754 1.728 1.00 0.00 C ATOM 1742 O ILE A 108 -13.491 4.548 1.694 1.00 0.00 O ATOM 1743 CB ILE A 108 -12.785 7.080 3.703 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -11.407 7.371 4.302 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -13.517 5.971 4.462 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -10.571 8.239 3.359 1.00 0.00 C ATOM 0 H ILE A 108 -12.894 8.812 1.948 1.00 0.00 H new ATOM 0 HA ILE A 108 -11.705 6.263 2.089 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.380 7.988 3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.523 7.877 5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.886 6.434 4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.581 6.234 5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.521 5.854 4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.970 5.034 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.597 8.431 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.437 7.720 2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -11.083 9.185 3.186 1.00 0.00 H new ATOM 1758 N ASP A 109 -14.886 6.298 1.363 1.00 0.00 N ATOM 1759 CA ASP A 109 -15.982 5.476 0.880 1.00 0.00 C ATOM 1760 C ASP A 109 -15.521 4.690 -0.349 1.00 0.00 C ATOM 1761 O ASP A 109 -15.917 3.541 -0.540 1.00 0.00 O ATOM 1762 CB ASP A 109 -17.177 6.338 0.469 1.00 0.00 C ATOM 1763 CG ASP A 109 -18.048 6.831 1.626 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -18.963 6.071 2.012 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -17.779 7.956 2.100 1.00 0.00 O ATOM 0 H ASP A 109 -15.084 7.298 1.392 1.00 0.00 H new ATOM 0 HA ASP A 109 -16.281 4.805 1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -16.809 7.203 -0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -17.801 5.764 -0.217 1.00 0.00 H new ATOM 1770 N GLU A 110 -14.691 5.340 -1.150 1.00 0.00 N ATOM 1771 CA GLU A 110 -14.172 4.716 -2.356 1.00 0.00 C ATOM 1772 C GLU A 110 -13.136 3.648 -1.997 1.00 0.00 C ATOM 1773 O GLU A 110 -13.121 2.570 -2.589 1.00 0.00 O ATOM 1774 CB GLU A 110 -13.576 5.761 -3.301 1.00 0.00 C ATOM 1775 CG GLU A 110 -14.380 7.062 -3.257 1.00 0.00 C ATOM 1776 CD GLU A 110 -14.859 7.458 -4.655 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -14.021 7.992 -5.412 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -16.054 7.217 -4.935 1.00 0.00 O ATOM 0 H GLU A 110 -14.364 6.293 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 110 -14.999 4.233 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -12.541 5.959 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -13.564 5.371 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -15.238 6.941 -2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -13.765 7.860 -2.840 1.00 0.00 H new ATOM 1785 N ILE A 111 -12.297 3.985 -1.029 1.00 0.00 N ATOM 1786 CA ILE A 111 -11.261 3.068 -0.584 1.00 0.00 C ATOM 1787 C ILE A 111 -11.913 1.820 0.014 1.00 0.00 C ATOM 1788 O ILE A 111 -11.339 0.733 -0.031 1.00 0.00 O ATOM 1789 CB ILE A 111 -10.294 3.773 0.369 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -9.212 4.527 -0.407 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -9.697 2.787 1.374 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -7.949 4.698 0.439 1.00 0.00 C ATOM 0 H ILE A 111 -12.313 4.880 -0.540 1.00 0.00 H new ATOM 0 HA ILE A 111 -10.656 2.739 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 111 -10.856 4.513 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -8.971 3.985 -1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -9.589 5.505 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -9.013 3.315 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.497 2.335 1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.154 2.007 0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.196 5.237 -0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.189 5.261 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.561 3.718 0.716 1.00 0.00 H new ATOM 1804 N ARG A 112 -13.104 2.017 0.560 1.00 0.00 N ATOM 1805 CA ARG A 112 -13.840 0.921 1.167 1.00 0.00 C ATOM 1806 C ARG A 112 -14.062 -0.198 0.147 1.00 0.00 C ATOM 1807 O ARG A 112 -14.205 -1.361 0.519 1.00 0.00 O ATOM 1808 CB ARG A 112 -15.195 1.395 1.697 1.00 0.00 C ATOM 1809 CG ARG A 112 -15.018 2.333 2.893 1.00 0.00 C ATOM 1810 CD ARG A 112 -15.953 1.942 4.039 1.00 0.00 C ATOM 1811 NE ARG A 112 -15.167 1.400 5.171 1.00 0.00 N ATOM 1812 CZ ARG A 112 -14.310 2.123 5.904 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -14.123 3.421 5.630 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -13.640 1.548 6.912 1.00 0.00 N ATOM 0 H ARG A 112 -13.578 2.920 0.595 1.00 0.00 H new ATOM 0 HA ARG A 112 -13.248 0.545 2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -15.740 1.909 0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.796 0.534 1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.984 2.300 3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -15.220 3.360 2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -16.525 2.811 4.365 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -16.672 1.198 3.695 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.286 0.415 5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.633 3.859 4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -13.470 3.971 6.188 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -13.783 0.560 7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -12.987 2.098 7.470 1.00 0.00 H new ATOM 1828 N ASP A 113 -14.084 0.194 -1.118 1.00 0.00 N ATOM 1829 CA ASP A 113 -14.286 -0.761 -2.194 1.00 0.00 C ATOM 1830 C ASP A 113 -12.979 -1.511 -2.457 1.00 0.00 C ATOM 1831 O ASP A 113 -12.979 -2.733 -2.604 1.00 0.00 O ATOM 1832 CB ASP A 113 -14.694 -0.055 -3.489 1.00 0.00 C ATOM 1833 CG ASP A 113 -15.999 -0.551 -4.113 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -16.580 -1.497 -3.538 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -16.388 0.027 -5.151 1.00 0.00 O ATOM 0 H ASP A 113 -13.965 1.160 -1.422 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.078 -1.446 -1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.787 1.012 -3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.892 -0.174 -4.218 1.00 0.00 H new ATOM 1840 N ALA A 114 -11.896 -0.749 -2.507 1.00 0.00 N ATOM 1841 CA ALA A 114 -10.585 -1.327 -2.749 1.00 0.00 C ATOM 1842 C ALA A 114 -10.240 -2.292 -1.613 1.00 0.00 C ATOM 1843 O ALA A 114 -9.648 -3.345 -1.847 1.00 0.00 O ATOM 1844 CB ALA A 114 -9.553 -0.207 -2.896 1.00 0.00 C ATOM 0 H ALA A 114 -11.900 0.264 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 114 -10.582 -1.897 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.569 -0.640 -3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.828 0.433 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.526 0.385 -1.981 1.00 0.00 H new ATOM 1850 N VAL A 115 -10.626 -1.900 -0.408 1.00 0.00 N ATOM 1851 CA VAL A 115 -10.365 -2.717 0.764 1.00 0.00 C ATOM 1852 C VAL A 115 -10.881 -4.136 0.516 1.00 0.00 C ATOM 1853 O VAL A 115 -10.214 -5.111 0.857 1.00 0.00 O ATOM 1854 CB VAL A 115 -10.981 -2.065 2.004 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -10.891 -2.997 3.215 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -10.320 -0.717 2.300 1.00 0.00 C ATOM 0 H VAL A 115 -11.118 -1.027 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.293 -2.788 0.949 1.00 0.00 H new ATOM 0 HB VAL A 115 -12.036 -1.883 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -11.336 -2.510 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -11.428 -3.922 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.845 -3.224 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -10.776 -0.275 3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -9.255 -0.865 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -10.458 -0.050 1.449 1.00 0.00 H new