USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 726 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 9 MET CE :methyl -137:sc= -0.626 (180deg=-2.04!) USER MOD Set 1.2: A 85 HIS : no HE2:sc= -2.19 K(o=-2.8,f=-7!) USER MOD Set 2.1: A 42 GLN : amide:sc= -2.1! X(o=-2.5!,f=-2.2) USER MOD Set 2.2: A 98 THR OG1 : rot -103:sc= -0.404 USER MOD Set 3.1: A 29 THR OG1 : rot -171:sc= 0.815 USER MOD Set 3.2: A 31 SER OG : rot -71:sc= 0.776 USER MOD Single : A 8 THR OG1 : rot 36:sc= 0.14 USER MOD Single : A 14 SER OG : rot -64:sc= 1.05 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -5.77! C(o=-5.8!,f=-7.9!) USER MOD Single : A 32 GLN : amide:sc=-0.00624 X(o=-0.0062,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 139:sc= -0.831! (180deg=-1.83!) USER MOD Single : A 35 THR OG1 : rot 98:sc= -0.118 USER MOD Single : A 38 GLN : amide:sc= -2.83 K(o=-2.8,f=-12!) USER MOD Single : A 40 GLN : amide:sc= -5.68! C(o=-5.7!,f=-6.7!) USER MOD Single : A 46 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-7.8!) USER MOD Single : A 47 ASN : amide:sc= -5.56! C(o=-5.6!,f=-5.5!) USER MOD Single : A 48 GLN : amide:sc= -7.5! C(o=-7.5!,f=-18!) USER MOD Single : A 49 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 51 SER OG : rot -161:sc= 0.27 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 53 ASN : amide:sc= -1.65 K(o=-1.7,f=-4.3!) USER MOD Single : A 55 ASN : amide:sc= -0.598 K(o=-0.6,f=-8.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0771 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 168:sc= -1.22 (180deg=-1.73!) USER MOD Single : A 75 ASN : amide:sc=-0.000597 X(o=-0.0006,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 140:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0.495 X(o=0.5,f=0) USER MOD Single : A 87 SER OG : rot -110:sc= -0.465! USER MOD Single : A 88 MET CE :methyl -125:sc= -0.833 (180deg=-1.32) USER MOD Single : A 90 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.179 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 8 -9.526 8.542 8.691 1.00 0.00 N ATOM 67 CA THR A 8 -9.411 7.138 9.048 1.00 0.00 C ATOM 68 C THR A 8 -8.048 6.589 8.621 1.00 0.00 C ATOM 69 O THR A 8 -7.712 6.603 7.438 1.00 0.00 O ATOM 70 CB THR A 8 -10.590 6.393 8.419 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.730 6.904 9.105 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.588 4.901 8.758 1.00 0.00 C ATOM 0 HA THR A 8 -9.458 6.999 10.128 1.00 0.00 H new ATOM 0 HB THR A 8 -10.563 6.519 7.337 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.594 7.854 9.302 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.445 4.420 8.287 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.669 4.446 8.390 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.649 4.773 9.839 1.00 0.00 H new ATOM 80 N MET A 9 -7.301 6.119 9.609 1.00 0.00 N ATOM 81 CA MET A 9 -5.982 5.566 9.350 1.00 0.00 C ATOM 82 C MET A 9 -6.002 4.038 9.434 1.00 0.00 C ATOM 83 O MET A 9 -6.767 3.465 10.208 1.00 0.00 O ATOM 84 CB MET A 9 -4.987 6.120 10.372 1.00 0.00 C ATOM 85 CG MET A 9 -3.563 5.654 10.060 1.00 0.00 C ATOM 86 SD MET A 9 -3.274 4.049 10.785 1.00 0.00 S ATOM 87 CE MET A 9 -3.571 4.428 12.504 1.00 0.00 C ATOM 0 H MET A 9 -7.583 6.110 10.589 1.00 0.00 H new ATOM 0 HA MET A 9 -5.680 5.852 8.343 1.00 0.00 H new ATOM 0 HB2 MET A 9 -5.026 7.209 10.369 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.269 5.794 11.373 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.415 5.607 8.981 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.843 6.373 10.449 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.808 3.950 13.119 1.00 0.00 H new ATOM 0 HE2 MET A 9 -3.532 5.507 12.651 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.555 4.058 12.793 1.00 0.00 H new ATOM 97 N LEU A 10 -5.151 3.422 8.627 1.00 0.00 N ATOM 98 CA LEU A 10 -5.061 1.972 8.600 1.00 0.00 C ATOM 99 C LEU A 10 -3.599 1.553 8.768 1.00 0.00 C ATOM 100 O LEU A 10 -2.691 2.272 8.353 1.00 0.00 O ATOM 101 CB LEU A 10 -5.717 1.418 7.334 1.00 0.00 C ATOM 102 CG LEU A 10 -7.244 1.315 7.360 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.758 0.489 6.179 1.00 0.00 C ATOM 104 CD2 LEU A 10 -7.733 0.764 8.701 1.00 0.00 C ATOM 0 H LEU A 10 -4.517 3.901 7.987 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.615 1.541 9.434 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.429 2.050 6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.309 0.426 7.141 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.656 2.318 7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.846 0.431 6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.456 0.962 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.339 -0.516 6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.821 0.701 8.693 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.313 -0.229 8.861 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.414 1.427 9.505 1.00 0.00 H new ATOM 116 N ARG A 11 -3.416 0.391 9.378 1.00 0.00 N ATOM 117 CA ARG A 11 -2.080 -0.133 9.606 1.00 0.00 C ATOM 118 C ARG A 11 -1.799 -1.301 8.660 1.00 0.00 C ATOM 119 O ARG A 11 -2.235 -2.425 8.908 1.00 0.00 O ATOM 120 CB ARG A 11 -1.913 -0.605 11.052 1.00 0.00 C ATOM 121 CG ARG A 11 -0.921 0.282 11.807 1.00 0.00 C ATOM 122 CD ARG A 11 -0.563 -0.328 13.164 1.00 0.00 C ATOM 123 NE ARG A 11 0.050 0.699 14.035 1.00 0.00 N ATOM 124 CZ ARG A 11 0.834 0.423 15.086 1.00 0.00 C ATOM 125 NH1 ARG A 11 1.104 -0.851 15.404 1.00 0.00 N ATOM 126 NH2 ARG A 11 1.346 1.420 15.820 1.00 0.00 N ATOM 0 H ARG A 11 -4.171 -0.203 9.721 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.371 0.672 9.414 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.879 -0.589 11.557 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.565 -1.638 11.063 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.017 0.411 11.212 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.351 1.273 11.952 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.458 -0.731 13.638 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.128 -1.160 13.027 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.136 1.679 13.822 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.713 -1.610 14.846 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.701 -1.061 16.204 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.139 2.389 15.579 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.943 1.210 16.620 1.00 0.00 H new ATOM 140 N VAL A 12 -1.073 -0.997 7.594 1.00 0.00 N ATOM 141 CA VAL A 12 -0.729 -2.008 6.609 1.00 0.00 C ATOM 142 C VAL A 12 0.607 -2.650 6.990 1.00 0.00 C ATOM 143 O VAL A 12 1.529 -1.962 7.425 1.00 0.00 O ATOM 144 CB VAL A 12 -0.719 -1.393 5.209 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.915 -0.460 5.011 1.00 0.00 C ATOM 146 CG2 VAL A 12 0.597 -0.660 4.941 1.00 0.00 C ATOM 0 H VAL A 12 -0.713 -0.064 7.391 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.478 -2.799 6.596 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.804 -2.205 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.884 -0.036 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.840 -1.022 5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.875 0.344 5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.578 -0.232 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.725 0.137 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.427 -1.362 5.020 1.00 0.00 H new ATOM 156 N ARG A 13 0.669 -3.962 6.811 1.00 0.00 N ATOM 157 CA ARG A 13 1.876 -4.705 7.130 1.00 0.00 C ATOM 158 C ARG A 13 2.580 -5.150 5.847 1.00 0.00 C ATOM 159 O ARG A 13 1.992 -5.850 5.023 1.00 0.00 O ATOM 160 CB ARG A 13 1.557 -5.935 7.982 1.00 0.00 C ATOM 161 CG ARG A 13 2.831 -6.712 8.322 1.00 0.00 C ATOM 162 CD ARG A 13 3.291 -6.413 9.750 1.00 0.00 C ATOM 163 NE ARG A 13 3.440 -7.675 10.508 1.00 0.00 N ATOM 164 CZ ARG A 13 3.673 -7.736 11.827 1.00 0.00 C ATOM 165 NH1 ARG A 13 3.784 -6.608 12.540 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.793 -8.926 12.431 1.00 0.00 N ATOM 0 H ARG A 13 -0.098 -4.529 6.449 1.00 0.00 H new ATOM 0 HA ARG A 13 2.531 -4.045 7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.059 -5.626 8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.864 -6.583 7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.650 -7.781 8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.621 -6.448 7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.240 -5.877 9.731 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.568 -5.765 10.245 1.00 0.00 H new ATOM 0 HE ARG A 13 3.361 -8.553 9.995 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.691 -5.703 12.080 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.961 -6.654 13.543 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.707 -9.785 11.887 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.970 -8.973 13.434 1.00 0.00 H new ATOM 180 N SER A 14 3.828 -4.726 5.716 1.00 0.00 N ATOM 181 CA SER A 14 4.618 -5.073 4.547 1.00 0.00 C ATOM 182 C SER A 14 5.926 -5.740 4.978 1.00 0.00 C ATOM 183 O SER A 14 6.247 -5.775 6.165 1.00 0.00 O ATOM 184 CB SER A 14 4.908 -3.838 3.693 1.00 0.00 C ATOM 185 OG SER A 14 5.886 -2.992 4.292 1.00 0.00 O ATOM 0 H SER A 14 4.312 -4.145 6.400 1.00 0.00 H new ATOM 0 HA SER A 14 4.043 -5.774 3.941 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.254 -4.152 2.708 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.986 -3.276 3.543 1.00 0.00 H new ATOM 0 HG SER A 14 5.541 -2.643 5.141 1.00 0.00 H new ATOM 191 N ARG A 15 6.645 -6.252 3.990 1.00 0.00 N ATOM 192 CA ARG A 15 7.911 -6.916 4.253 1.00 0.00 C ATOM 193 C ARG A 15 8.928 -5.918 4.810 1.00 0.00 C ATOM 194 O ARG A 15 9.732 -6.264 5.675 1.00 0.00 O ATOM 195 CB ARG A 15 8.474 -7.550 2.979 1.00 0.00 C ATOM 196 CG ARG A 15 8.750 -6.488 1.913 1.00 0.00 C ATOM 197 CD ARG A 15 9.067 -7.135 0.563 1.00 0.00 C ATOM 198 NE ARG A 15 7.880 -7.860 0.059 1.00 0.00 N ATOM 199 CZ ARG A 15 7.619 -9.148 0.323 1.00 0.00 C ATOM 200 NH1 ARG A 15 8.458 -9.859 1.087 1.00 0.00 N ATOM 201 NH2 ARG A 15 6.517 -9.724 -0.177 1.00 0.00 N ATOM 0 H ARG A 15 6.376 -6.221 3.007 1.00 0.00 H new ATOM 0 HA ARG A 15 7.728 -7.701 4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.395 -8.085 3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.768 -8.284 2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.883 -5.835 1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.586 -5.862 2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.369 -6.371 -0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.906 -7.823 0.668 1.00 0.00 H new ATOM 0 HE ARG A 15 7.219 -7.348 -0.526 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.296 -9.421 1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.259 -10.839 1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.877 -9.182 -0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.318 -10.704 0.024 1.00 0.00 H new ATOM 215 N ASP A 16 8.859 -4.700 4.293 1.00 0.00 N ATOM 216 CA ASP A 16 9.764 -3.650 4.728 1.00 0.00 C ATOM 217 C ASP A 16 9.396 -3.223 6.151 1.00 0.00 C ATOM 218 O ASP A 16 10.147 -2.495 6.798 1.00 0.00 O ATOM 219 CB ASP A 16 9.657 -2.421 3.824 1.00 0.00 C ATOM 220 CG ASP A 16 10.311 -2.572 2.448 1.00 0.00 C ATOM 221 OD1 ASP A 16 10.870 -3.662 2.203 1.00 0.00 O ATOM 222 OD2 ASP A 16 10.236 -1.594 1.674 1.00 0.00 O ATOM 0 H ASP A 16 8.190 -4.417 3.577 1.00 0.00 H new ATOM 0 HA ASP A 16 10.780 -4.042 4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.603 -2.182 3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.112 -1.572 4.335 1.00 0.00 H new ATOM 227 N GLY A 17 8.240 -3.695 6.596 1.00 0.00 N ATOM 228 CA GLY A 17 7.764 -3.371 7.930 1.00 0.00 C ATOM 229 C GLY A 17 6.322 -2.860 7.888 1.00 0.00 C ATOM 230 O GLY A 17 5.749 -2.697 6.812 1.00 0.00 O ATOM 0 H GLY A 17 7.620 -4.299 6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.822 -4.255 8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.409 -2.614 8.376 1.00 0.00 H new ATOM 234 N LEU A 18 5.778 -2.621 9.072 1.00 0.00 N ATOM 235 CA LEU A 18 4.414 -2.132 9.184 1.00 0.00 C ATOM 236 C LEU A 18 4.360 -0.675 8.721 1.00 0.00 C ATOM 237 O LEU A 18 5.205 0.133 9.101 1.00 0.00 O ATOM 238 CB LEU A 18 3.883 -2.347 10.603 1.00 0.00 C ATOM 239 CG LEU A 18 2.623 -1.562 10.973 1.00 0.00 C ATOM 240 CD1 LEU A 18 2.900 -0.057 10.992 1.00 0.00 C ATOM 241 CD2 LEU A 18 1.462 -1.918 10.043 1.00 0.00 C ATOM 0 H LEU A 18 6.257 -2.757 9.962 1.00 0.00 H new ATOM 0 HA LEU A 18 3.751 -2.699 8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.678 -3.409 10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.671 -2.084 11.308 1.00 0.00 H new ATOM 0 HG LEU A 18 2.327 -1.848 11.982 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.988 0.477 11.258 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.675 0.161 11.726 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.234 0.264 10.005 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.579 -1.346 10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.733 -1.679 9.015 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.246 -2.983 10.123 1.00 0.00 H new ATOM 253 N GLU A 19 3.357 -0.384 7.905 1.00 0.00 N ATOM 254 CA GLU A 19 3.181 0.962 7.386 1.00 0.00 C ATOM 255 C GLU A 19 1.742 1.432 7.605 1.00 0.00 C ATOM 256 O GLU A 19 0.828 0.615 7.714 1.00 0.00 O ATOM 257 CB GLU A 19 3.562 1.032 5.906 1.00 0.00 C ATOM 258 CG GLU A 19 5.079 1.140 5.734 1.00 0.00 C ATOM 259 CD GLU A 19 5.490 0.841 4.291 1.00 0.00 C ATOM 260 OE1 GLU A 19 5.430 1.787 3.476 1.00 0.00 O ATOM 261 OE2 GLU A 19 5.854 -0.327 4.035 1.00 0.00 O ATOM 0 H GLU A 19 2.658 -1.057 7.591 1.00 0.00 H new ATOM 0 HA GLU A 19 3.847 1.631 7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.196 0.144 5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.078 1.892 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.409 2.141 6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.576 0.443 6.409 1.00 0.00 H new ATOM 268 N ARG A 20 1.584 2.746 7.662 1.00 0.00 N ATOM 269 CA ARG A 20 0.271 3.334 7.866 1.00 0.00 C ATOM 270 C ARG A 20 -0.105 4.218 6.675 1.00 0.00 C ATOM 271 O ARG A 20 0.768 4.695 5.951 1.00 0.00 O ATOM 272 CB ARG A 20 0.236 4.171 9.146 1.00 0.00 C ATOM 273 CG ARG A 20 1.323 5.248 9.127 1.00 0.00 C ATOM 274 CD ARG A 20 0.815 6.551 9.747 1.00 0.00 C ATOM 275 NE ARG A 20 0.904 7.650 8.760 1.00 0.00 N ATOM 276 CZ ARG A 20 2.037 8.297 8.456 1.00 0.00 C ATOM 277 NH1 ARG A 20 3.184 7.959 9.061 1.00 0.00 N ATOM 278 NH2 ARG A 20 2.024 9.282 7.547 1.00 0.00 N ATOM 0 H ARG A 20 2.344 3.420 7.570 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.447 2.519 7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.743 4.639 9.252 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.375 3.524 10.012 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.197 4.897 9.675 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.642 5.430 8.101 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.217 6.429 10.075 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.404 6.796 10.631 1.00 0.00 H new ATOM 0 HE ARG A 20 0.049 7.933 8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.194 7.209 9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.047 8.451 8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.151 9.539 7.086 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.887 9.774 7.316 1.00 0.00 H new ATOM 292 N VAL A 21 -1.405 4.411 6.509 1.00 0.00 N ATOM 293 CA VAL A 21 -1.907 5.229 5.419 1.00 0.00 C ATOM 294 C VAL A 21 -3.269 5.809 5.807 1.00 0.00 C ATOM 295 O VAL A 21 -4.050 5.158 6.500 1.00 0.00 O ATOM 296 CB VAL A 21 -1.952 4.410 4.127 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.449 5.260 2.956 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.585 3.797 3.819 1.00 0.00 C ATOM 0 H VAL A 21 -2.126 4.015 7.112 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.237 6.069 5.232 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.660 3.594 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.471 4.654 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.453 5.626 3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.778 6.106 2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.645 3.220 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.152 4.591 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.287 3.142 4.638 1.00 0.00 H new ATOM 308 N SER A 22 -3.513 7.026 5.343 1.00 0.00 N ATOM 309 CA SER A 22 -4.767 7.700 5.634 1.00 0.00 C ATOM 310 C SER A 22 -5.751 7.494 4.480 1.00 0.00 C ATOM 311 O SER A 22 -5.388 7.649 3.315 1.00 0.00 O ATOM 312 CB SER A 22 -4.545 9.193 5.882 1.00 0.00 C ATOM 313 OG SER A 22 -5.653 9.795 6.546 1.00 0.00 O ATOM 0 H SER A 22 -2.864 7.563 4.768 1.00 0.00 H new ATOM 0 HA SER A 22 -5.186 7.267 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.645 9.331 6.481 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.375 9.697 4.931 1.00 0.00 H new ATOM 0 HG SER A 22 -5.471 10.748 6.687 1.00 0.00 H new ATOM 319 N VAL A 23 -6.976 7.148 4.845 1.00 0.00 N ATOM 320 CA VAL A 23 -8.015 6.919 3.855 1.00 0.00 C ATOM 321 C VAL A 23 -9.205 7.836 4.149 1.00 0.00 C ATOM 322 O VAL A 23 -9.091 8.772 4.938 1.00 0.00 O ATOM 323 CB VAL A 23 -8.395 5.437 3.827 1.00 0.00 C ATOM 324 CG1 VAL A 23 -7.156 4.558 3.648 1.00 0.00 C ATOM 325 CG2 VAL A 23 -9.167 5.046 5.089 1.00 0.00 C ATOM 0 H VAL A 23 -7.273 7.021 5.812 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.652 7.166 2.857 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.049 5.274 2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.453 3.509 3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.663 4.811 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.467 4.727 4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.425 3.988 5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.548 5.232 5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.079 5.639 5.156 1.00 0.00 H new ATOM 335 N ASP A 24 -10.319 7.533 3.499 1.00 0.00 N ATOM 336 CA ASP A 24 -11.528 8.318 3.681 1.00 0.00 C ATOM 337 C ASP A 24 -12.496 7.553 4.587 1.00 0.00 C ATOM 338 O ASP A 24 -12.884 8.048 5.644 1.00 0.00 O ATOM 339 CB ASP A 24 -12.229 8.567 2.344 1.00 0.00 C ATOM 340 CG ASP A 24 -11.302 8.956 1.191 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.197 9.454 1.494 1.00 0.00 O ATOM 342 OD2 ASP A 24 -11.721 8.747 0.032 1.00 0.00 O ATOM 0 H ASP A 24 -10.410 6.755 2.846 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.247 9.273 4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.775 7.666 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.967 9.357 2.480 1.00 0.00 H new ATOM 347 N GLY A 25 -12.856 6.359 4.140 1.00 0.00 N ATOM 348 CA GLY A 25 -13.771 5.522 4.897 1.00 0.00 C ATOM 349 C GLY A 25 -14.153 4.271 4.103 1.00 0.00 C ATOM 350 O GLY A 25 -13.426 3.857 3.202 1.00 0.00 O ATOM 0 H GLY A 25 -12.531 5.951 3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.308 5.231 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.669 6.089 5.144 1.00 0.00 H new ATOM 354 N PRO A 26 -15.324 3.689 4.476 1.00 0.00 N ATOM 355 CA PRO A 26 -15.812 2.494 3.809 1.00 0.00 C ATOM 356 C PRO A 26 -16.379 2.829 2.428 1.00 0.00 C ATOM 357 O PRO A 26 -16.389 1.983 1.535 1.00 0.00 O ATOM 358 CB PRO A 26 -16.852 1.913 4.753 1.00 0.00 C ATOM 359 CG PRO A 26 -17.243 3.045 5.690 1.00 0.00 C ATOM 360 CD PRO A 26 -16.212 4.152 5.539 1.00 0.00 C ATOM 0 HA PRO A 26 -15.022 1.769 3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.718 1.545 4.202 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.446 1.068 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.239 3.415 5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.277 2.693 6.721 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.683 5.099 5.277 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.666 4.314 6.468 1.00 0.00 H new ATOM 368 N HIS A 27 -16.836 4.065 2.296 1.00 0.00 N ATOM 369 CA HIS A 27 -17.403 4.523 1.039 1.00 0.00 C ATOM 370 C HIS A 27 -16.400 4.287 -0.093 1.00 0.00 C ATOM 371 O HIS A 27 -16.773 4.273 -1.265 1.00 0.00 O ATOM 372 CB HIS A 27 -17.847 5.983 1.143 1.00 0.00 C ATOM 373 CG HIS A 27 -16.875 6.870 1.884 1.00 0.00 C ATOM 374 ND1 HIS A 27 -17.127 8.205 2.145 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.649 6.598 2.417 1.00 0.00 C ATOM 376 CE1 HIS A 27 -16.093 8.705 2.805 1.00 0.00 C ATOM 377 NE2 HIS A 27 -15.178 7.707 2.973 1.00 0.00 N ATOM 0 H HIS A 27 -16.825 4.764 3.039 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.299 3.947 0.809 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.992 6.380 0.138 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.814 6.023 1.644 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.967 8.717 1.875 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -15.147 5.642 2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.992 9.724 3.150 1.00 0.00 H new ATOM 385 N ILE A 28 -15.147 4.108 0.298 1.00 0.00 N ATOM 386 CA ILE A 28 -14.088 3.874 -0.668 1.00 0.00 C ATOM 387 C ILE A 28 -13.962 2.371 -0.925 1.00 0.00 C ATOM 388 O ILE A 28 -14.478 1.560 -0.157 1.00 0.00 O ATOM 389 CB ILE A 28 -12.786 4.530 -0.205 1.00 0.00 C ATOM 390 CG1 ILE A 28 -12.123 3.711 0.904 1.00 0.00 C ATOM 391 CG2 ILE A 28 -13.023 5.981 0.218 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.862 3.013 0.391 1.00 0.00 C ATOM 0 H ILE A 28 -14.842 4.120 1.271 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.332 4.342 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.095 4.549 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.868 4.363 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.826 2.968 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.081 6.424 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.418 6.546 -0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.739 6.008 1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.410 2.438 1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -11.124 2.344 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.152 3.760 0.036 1.00 0.00 H new ATOM 404 N THR A 29 -13.273 2.044 -2.009 1.00 0.00 N ATOM 405 CA THR A 29 -13.072 0.653 -2.377 1.00 0.00 C ATOM 406 C THR A 29 -11.579 0.325 -2.428 1.00 0.00 C ATOM 407 O THR A 29 -10.740 1.221 -2.358 1.00 0.00 O ATOM 408 CB THR A 29 -13.794 0.406 -3.703 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.159 1.299 -4.615 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.250 0.877 -3.674 1.00 0.00 C ATOM 0 H THR A 29 -12.847 2.719 -2.644 1.00 0.00 H new ATOM 0 HA THR A 29 -13.495 -0.019 -1.630 1.00 0.00 H new ATOM 0 HB THR A 29 -13.761 -0.657 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.654 1.310 -5.460 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.716 0.678 -4.639 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.790 0.342 -2.893 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.282 1.947 -3.469 1.00 0.00 H new ATOM 418 N VAL A 30 -11.293 -0.963 -2.550 1.00 0.00 N ATOM 419 CA VAL A 30 -9.915 -1.421 -2.611 1.00 0.00 C ATOM 420 C VAL A 30 -9.158 -0.608 -3.663 1.00 0.00 C ATOM 421 O VAL A 30 -7.998 -0.252 -3.461 1.00 0.00 O ATOM 422 CB VAL A 30 -9.875 -2.927 -2.877 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.442 -3.404 -3.119 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.525 -3.704 -1.730 1.00 0.00 C ATOM 0 H VAL A 30 -11.992 -1.704 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.417 -1.260 -1.655 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.450 -3.122 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.443 -4.478 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.027 -2.886 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.834 -3.189 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.483 -4.772 -1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.990 -3.499 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.565 -3.395 -1.625 1.00 0.00 H new ATOM 434 N SER A 31 -9.845 -0.338 -4.763 1.00 0.00 N ATOM 435 CA SER A 31 -9.252 0.427 -5.847 1.00 0.00 C ATOM 436 C SER A 31 -8.680 1.740 -5.309 1.00 0.00 C ATOM 437 O SER A 31 -7.557 2.114 -5.643 1.00 0.00 O ATOM 438 CB SER A 31 -10.276 0.706 -6.948 1.00 0.00 C ATOM 439 OG SER A 31 -11.193 1.732 -6.578 1.00 0.00 O ATOM 0 H SER A 31 -10.807 -0.635 -4.927 1.00 0.00 H new ATOM 0 HA SER A 31 -8.444 -0.163 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.756 0.997 -7.861 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.826 -0.208 -7.171 1.00 0.00 H new ATOM 0 HG SER A 31 -11.798 1.395 -5.885 1.00 0.00 H new ATOM 445 N GLN A 32 -9.478 2.403 -4.485 1.00 0.00 N ATOM 446 CA GLN A 32 -9.065 3.666 -3.898 1.00 0.00 C ATOM 447 C GLN A 32 -7.987 3.431 -2.838 1.00 0.00 C ATOM 448 O GLN A 32 -7.066 4.233 -2.696 1.00 0.00 O ATOM 449 CB GLN A 32 -10.262 4.414 -3.308 1.00 0.00 C ATOM 450 CG GLN A 32 -11.267 4.789 -4.399 1.00 0.00 C ATOM 451 CD GLN A 32 -11.813 6.201 -4.179 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.144 7.195 -4.407 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.062 6.233 -3.725 1.00 0.00 N ATOM 0 H GLN A 32 -10.409 2.089 -4.210 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.642 4.290 -4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.750 3.792 -2.558 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.918 5.315 -2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.788 4.729 -5.376 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.089 4.074 -4.402 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.565 5.362 -3.555 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.517 7.128 -3.546 1.00 0.00 H new ATOM 462 N LEU A 33 -8.139 2.328 -2.120 1.00 0.00 N ATOM 463 CA LEU A 33 -7.190 1.977 -1.077 1.00 0.00 C ATOM 464 C LEU A 33 -5.814 1.740 -1.703 1.00 0.00 C ATOM 465 O LEU A 33 -4.873 2.488 -1.442 1.00 0.00 O ATOM 466 CB LEU A 33 -7.706 0.791 -0.260 1.00 0.00 C ATOM 467 CG LEU A 33 -6.818 0.339 0.901 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.175 1.538 1.599 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.599 -0.543 1.878 1.00 0.00 C ATOM 0 H LEU A 33 -8.905 1.665 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.081 2.799 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.687 1.049 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.848 -0.054 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.009 -0.269 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.549 1.188 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.563 2.089 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.954 2.192 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.944 -0.850 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.442 0.018 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.968 -1.426 1.356 1.00 0.00 H new ATOM 481 N LYS A 34 -5.742 0.697 -2.516 1.00 0.00 N ATOM 482 CA LYS A 34 -4.497 0.353 -3.182 1.00 0.00 C ATOM 483 C LYS A 34 -3.867 1.620 -3.763 1.00 0.00 C ATOM 484 O LYS A 34 -2.681 1.877 -3.561 1.00 0.00 O ATOM 485 CB LYS A 34 -4.730 -0.749 -4.217 1.00 0.00 C ATOM 486 CG LYS A 34 -4.567 -2.135 -3.589 1.00 0.00 C ATOM 487 CD LYS A 34 -5.161 -3.219 -4.491 1.00 0.00 C ATOM 488 CE LYS A 34 -5.025 -4.601 -3.849 1.00 0.00 C ATOM 489 NZ LYS A 34 -5.800 -5.605 -4.612 1.00 0.00 N ATOM 0 H LYS A 34 -6.525 0.079 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.784 -0.059 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.731 -0.652 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.025 -0.634 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.510 -2.338 -3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.058 -2.157 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.213 -3.004 -4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.655 -3.211 -5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.975 -4.892 -3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.379 -4.566 -2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.252 -6.486 -4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.698 -5.795 -4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.995 -5.241 -5.566 1.00 0.00 H new ATOM 503 N THR A 35 -4.688 2.377 -4.475 1.00 0.00 N ATOM 504 CA THR A 35 -4.226 3.611 -5.088 1.00 0.00 C ATOM 505 C THR A 35 -3.506 4.482 -4.056 1.00 0.00 C ATOM 506 O THR A 35 -2.418 4.992 -4.321 1.00 0.00 O ATOM 507 CB THR A 35 -5.431 4.301 -5.729 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.562 3.663 -6.997 1.00 0.00 O ATOM 509 CG2 THR A 35 -5.153 5.765 -6.076 1.00 0.00 C ATOM 0 H THR A 35 -5.671 2.160 -4.641 1.00 0.00 H new ATOM 0 HA THR A 35 -3.492 3.413 -5.870 1.00 0.00 H new ATOM 0 HB THR A 35 -6.283 4.245 -5.052 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.248 2.965 -6.943 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.041 6.207 -6.528 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.898 6.312 -5.168 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.322 5.821 -6.779 1.00 0.00 H new ATOM 517 N LEU A 36 -4.141 4.624 -2.903 1.00 0.00 N ATOM 518 CA LEU A 36 -3.575 5.424 -1.830 1.00 0.00 C ATOM 519 C LEU A 36 -2.171 4.910 -1.503 1.00 0.00 C ATOM 520 O LEU A 36 -1.182 5.599 -1.745 1.00 0.00 O ATOM 521 CB LEU A 36 -4.517 5.449 -0.625 1.00 0.00 C ATOM 522 CG LEU A 36 -5.538 6.588 -0.595 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.552 6.386 0.532 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.840 7.947 -0.502 1.00 0.00 C ATOM 0 H LEU A 36 -5.043 4.199 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.470 6.463 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.057 4.503 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.914 5.504 0.281 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.093 6.574 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.266 7.210 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.082 5.446 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.031 6.359 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.588 8.740 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.244 7.988 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.191 8.082 -1.367 1.00 0.00 H new ATOM 536 N ILE A 37 -2.130 3.704 -0.956 1.00 0.00 N ATOM 537 CA ILE A 37 -0.865 3.089 -0.593 1.00 0.00 C ATOM 538 C ILE A 37 0.067 3.096 -1.807 1.00 0.00 C ATOM 539 O ILE A 37 1.278 3.262 -1.663 1.00 0.00 O ATOM 540 CB ILE A 37 -1.095 1.696 -0.003 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.752 1.787 1.376 1.00 0.00 C ATOM 542 CG2 ILE A 37 0.208 0.894 0.034 1.00 0.00 C ATOM 543 CD1 ILE A 37 -2.967 0.862 1.466 1.00 0.00 C ATOM 0 H ILE A 37 -2.953 3.136 -0.755 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.373 3.664 0.191 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.785 1.159 -0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.029 1.519 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.058 2.815 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.017 -0.092 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.597 0.785 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.940 1.417 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.415 0.946 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.699 1.148 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.654 -0.168 1.296 1.00 0.00 H new ATOM 555 N GLN A 38 -0.532 2.914 -2.974 1.00 0.00 N ATOM 556 CA GLN A 38 0.230 2.898 -4.212 1.00 0.00 C ATOM 557 C GLN A 38 0.955 4.230 -4.406 1.00 0.00 C ATOM 558 O GLN A 38 2.012 4.280 -5.034 1.00 0.00 O ATOM 559 CB GLN A 38 -0.673 2.585 -5.407 1.00 0.00 C ATOM 560 CG GLN A 38 -0.115 3.200 -6.691 1.00 0.00 C ATOM 561 CD GLN A 38 -0.752 4.563 -6.969 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.509 5.543 -6.284 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.580 4.571 -8.010 1.00 0.00 N ATOM 0 H GLN A 38 -1.536 2.776 -3.089 1.00 0.00 H new ATOM 0 HA GLN A 38 0.977 2.107 -4.146 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.763 1.505 -5.526 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.675 2.970 -5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.966 3.311 -6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.301 2.530 -7.530 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.739 3.715 -8.542 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.056 5.433 -8.277 1.00 0.00 H new ATOM 572 N ASP A 39 0.360 5.278 -3.856 1.00 0.00 N ATOM 573 CA ASP A 39 0.936 6.608 -3.961 1.00 0.00 C ATOM 574 C ASP A 39 1.839 6.864 -2.753 1.00 0.00 C ATOM 575 O ASP A 39 3.039 7.086 -2.906 1.00 0.00 O ATOM 576 CB ASP A 39 -0.154 7.681 -3.973 1.00 0.00 C ATOM 577 CG ASP A 39 0.179 8.931 -4.790 1.00 0.00 C ATOM 578 OD1 ASP A 39 0.858 9.815 -4.223 1.00 0.00 O ATOM 579 OD2 ASP A 39 -0.252 8.975 -5.962 1.00 0.00 O ATOM 0 H ASP A 39 -0.516 5.233 -3.336 1.00 0.00 H new ATOM 0 HA ASP A 39 1.501 6.659 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.071 7.242 -4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.359 7.981 -2.945 1.00 0.00 H new ATOM 584 N GLN A 40 1.227 6.825 -1.578 1.00 0.00 N ATOM 585 CA GLN A 40 1.960 7.051 -0.344 1.00 0.00 C ATOM 586 C GLN A 40 3.196 6.150 -0.289 1.00 0.00 C ATOM 587 O GLN A 40 4.317 6.636 -0.146 1.00 0.00 O ATOM 588 CB GLN A 40 1.064 6.828 0.875 1.00 0.00 C ATOM 589 CG GLN A 40 0.369 8.127 1.290 1.00 0.00 C ATOM 590 CD GLN A 40 -0.604 7.883 2.446 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.216 7.620 3.572 1.00 0.00 O ATOM 592 NE2 GLN A 40 -1.885 7.986 2.105 1.00 0.00 N ATOM 0 H GLN A 40 0.231 6.640 -1.455 1.00 0.00 H new ATOM 0 HA GLN A 40 2.290 8.090 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.316 6.068 0.647 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.661 6.449 1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.115 8.864 1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.169 8.544 0.439 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.140 8.209 1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.612 7.842 2.805 1.00 0.00 H new ATOM 601 N LEU A 41 2.949 4.854 -0.404 1.00 0.00 N ATOM 602 CA LEU A 41 4.027 3.880 -0.369 1.00 0.00 C ATOM 603 C LEU A 41 4.746 3.873 -1.720 1.00 0.00 C ATOM 604 O LEU A 41 5.838 3.320 -1.843 1.00 0.00 O ATOM 605 CB LEU A 41 3.497 2.509 0.054 1.00 0.00 C ATOM 606 CG LEU A 41 2.667 2.477 1.338 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.620 1.065 1.926 1.00 0.00 C ATOM 608 CD2 LEU A 41 3.183 3.502 2.350 1.00 0.00 C ATOM 0 H LEU A 41 2.018 4.455 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 41 4.766 4.156 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.889 2.111 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.345 1.836 0.177 1.00 0.00 H new ATOM 0 HG LEU A 41 1.643 2.757 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.024 1.070 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.171 0.384 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.632 0.733 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.575 3.459 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.220 3.277 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.122 4.501 1.919 1.00 0.00 H new ATOM 620 N GLN A 42 4.103 4.492 -2.699 1.00 0.00 N ATOM 621 CA GLN A 42 4.668 4.563 -4.037 1.00 0.00 C ATOM 622 C GLN A 42 4.858 3.157 -4.608 1.00 0.00 C ATOM 623 O GLN A 42 5.945 2.811 -5.067 1.00 0.00 O ATOM 624 CB GLN A 42 5.987 5.337 -4.034 1.00 0.00 C ATOM 625 CG GLN A 42 5.737 6.847 -4.021 1.00 0.00 C ATOM 626 CD GLN A 42 4.884 7.272 -5.218 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.019 6.766 -6.320 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.001 8.227 -4.941 1.00 0.00 N ATOM 0 H GLN A 42 3.197 4.949 -2.593 1.00 0.00 H new ATOM 0 HA GLN A 42 3.970 5.102 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.576 5.055 -3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.572 5.069 -4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.236 7.128 -3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.689 7.377 -4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.940 8.607 -3.996 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.384 8.579 -5.673 1.00 0.00 H new ATOM 637 N ILE A 43 3.784 2.383 -4.561 1.00 0.00 N ATOM 638 CA ILE A 43 3.819 1.022 -5.068 1.00 0.00 C ATOM 639 C ILE A 43 2.702 0.836 -6.097 1.00 0.00 C ATOM 640 O ILE A 43 1.605 1.368 -5.931 1.00 0.00 O ATOM 641 CB ILE A 43 3.764 0.018 -3.914 1.00 0.00 C ATOM 642 CG1 ILE A 43 4.853 0.312 -2.880 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.839 -1.419 -4.433 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.598 -0.455 -1.581 1.00 0.00 C ATOM 0 H ILE A 43 2.884 2.673 -4.179 1.00 0.00 H new ATOM 0 HA ILE A 43 4.762 0.832 -5.581 1.00 0.00 H new ATOM 0 HB ILE A 43 2.803 0.128 -3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.827 0.036 -3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.885 1.382 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.798 -2.112 -3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.999 -1.609 -5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.774 -1.562 -4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.387 -0.228 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.634 -0.159 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.591 -1.526 -1.786 1.00 0.00 H new ATOM 656 N PRO A 44 3.027 0.060 -7.165 1.00 0.00 N ATOM 657 CA PRO A 44 2.064 -0.201 -8.221 1.00 0.00 C ATOM 658 C PRO A 44 1.011 -1.213 -7.764 1.00 0.00 C ATOM 659 O PRO A 44 1.345 -2.236 -7.168 1.00 0.00 O ATOM 660 CB PRO A 44 2.893 -0.697 -9.395 1.00 0.00 C ATOM 661 CG PRO A 44 4.226 -1.135 -8.810 1.00 0.00 C ATOM 662 CD PRO A 44 4.316 -0.586 -7.395 1.00 0.00 C ATOM 0 HA PRO A 44 1.494 0.685 -8.499 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.397 -1.526 -9.900 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.032 0.091 -10.135 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.301 -2.222 -8.803 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.051 -0.762 -9.417 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.495 -1.382 -6.672 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.138 0.124 -7.297 1.00 0.00 H new ATOM 670 N ILE A 45 -0.240 -0.891 -8.061 1.00 0.00 N ATOM 671 CA ILE A 45 -1.344 -1.758 -7.688 1.00 0.00 C ATOM 672 C ILE A 45 -1.057 -3.180 -8.175 1.00 0.00 C ATOM 673 O ILE A 45 -1.141 -4.134 -7.403 1.00 0.00 O ATOM 674 CB ILE A 45 -2.669 -1.189 -8.199 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.817 0.285 -7.814 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.851 -2.030 -7.712 1.00 0.00 C ATOM 677 CD1 ILE A 45 -4.279 0.727 -7.891 1.00 0.00 C ATOM 0 H ILE A 45 -0.513 -0.042 -8.556 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.441 -1.805 -6.603 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.665 -1.239 -9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.439 0.440 -6.803 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.212 0.901 -8.479 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.781 -1.604 -8.089 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.746 -3.052 -8.077 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.870 -2.034 -6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.357 1.778 -7.613 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.647 0.593 -8.908 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.877 0.125 -7.207 1.00 0.00 H new ATOM 689 N HIS A 46 -0.725 -3.277 -9.454 1.00 0.00 N ATOM 690 CA HIS A 46 -0.425 -4.567 -10.053 1.00 0.00 C ATOM 691 C HIS A 46 0.561 -5.328 -9.166 1.00 0.00 C ATOM 692 O HIS A 46 0.643 -6.554 -9.233 1.00 0.00 O ATOM 693 CB HIS A 46 0.079 -4.395 -11.488 1.00 0.00 C ATOM 694 CG HIS A 46 0.728 -3.058 -11.755 1.00 0.00 C ATOM 695 ND1 HIS A 46 0.004 -1.884 -11.873 1.00 0.00 N ATOM 696 CD2 HIS A 46 2.038 -2.721 -11.924 1.00 0.00 C ATOM 697 CE1 HIS A 46 0.852 -0.892 -12.104 1.00 0.00 C ATOM 698 NE2 HIS A 46 2.112 -1.413 -12.136 1.00 0.00 N ATOM 0 H HIS A 46 -0.657 -2.484 -10.092 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.336 -5.163 -10.118 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.796 -5.186 -11.707 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.758 -4.525 -12.174 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.875 -3.403 -11.891 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.591 0.147 -12.243 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.970 -0.885 -12.296 1.00 0.00 H new ATOM 706 N ASN A 47 1.285 -4.571 -8.355 1.00 0.00 N ATOM 707 CA ASN A 47 2.262 -5.160 -7.455 1.00 0.00 C ATOM 708 C ASN A 47 1.662 -5.258 -6.051 1.00 0.00 C ATOM 709 O ASN A 47 1.779 -6.290 -5.392 1.00 0.00 O ATOM 710 CB ASN A 47 3.523 -4.297 -7.371 1.00 0.00 C ATOM 711 CG ASN A 47 4.468 -4.593 -8.537 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.135 -5.297 -9.477 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.662 -4.018 -8.425 1.00 0.00 N ATOM 0 H ASN A 47 1.215 -3.555 -8.302 1.00 0.00 H new ATOM 0 HA ASN A 47 2.524 -6.146 -7.840 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.248 -3.242 -7.380 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.034 -4.485 -6.427 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.364 -4.154 -9.152 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.876 -3.441 -7.612 1.00 0.00 H new ATOM 720 N GLN A 48 1.032 -4.169 -5.634 1.00 0.00 N ATOM 721 CA GLN A 48 0.413 -4.120 -4.320 1.00 0.00 C ATOM 722 C GLN A 48 -0.577 -5.274 -4.156 1.00 0.00 C ATOM 723 O GLN A 48 -1.400 -5.521 -5.036 1.00 0.00 O ATOM 724 CB GLN A 48 -0.273 -2.772 -4.088 1.00 0.00 C ATOM 725 CG GLN A 48 0.753 -1.639 -4.020 1.00 0.00 C ATOM 726 CD GLN A 48 0.142 -0.383 -3.395 1.00 0.00 C ATOM 727 OE1 GLN A 48 0.780 0.347 -2.655 1.00 0.00 O ATOM 728 NE2 GLN A 48 -1.127 -0.173 -3.734 1.00 0.00 N ATOM 0 H GLN A 48 0.937 -3.314 -6.183 1.00 0.00 H new ATOM 0 HA GLN A 48 1.194 -4.228 -3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.982 -2.578 -4.893 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.845 -2.806 -3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.615 -1.959 -3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.116 -1.411 -5.022 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.602 -0.824 -4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.625 0.639 -3.369 1.00 0.00 H new ATOM 737 N THR A 49 -0.464 -5.952 -3.023 1.00 0.00 N ATOM 738 CA THR A 49 -1.339 -7.075 -2.732 1.00 0.00 C ATOM 739 C THR A 49 -1.850 -6.993 -1.292 1.00 0.00 C ATOM 740 O THR A 49 -1.119 -7.299 -0.351 1.00 0.00 O ATOM 741 CB THR A 49 -0.570 -8.363 -3.031 1.00 0.00 C ATOM 742 OG1 THR A 49 0.093 -8.093 -4.263 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.497 -9.536 -3.356 1.00 0.00 C ATOM 0 H THR A 49 0.220 -5.745 -2.296 1.00 0.00 H new ATOM 0 HA THR A 49 -2.229 -7.057 -3.361 1.00 0.00 H new ATOM 0 HB THR A 49 0.054 -8.620 -2.175 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.925 -7.607 -4.087 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.901 -10.425 -3.560 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.154 -9.727 -2.507 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.098 -9.293 -4.232 1.00 0.00 H new ATOM 751 N LEU A 50 -3.102 -6.579 -1.165 1.00 0.00 N ATOM 752 CA LEU A 50 -3.720 -6.453 0.144 1.00 0.00 C ATOM 753 C LEU A 50 -4.391 -7.777 0.516 1.00 0.00 C ATOM 754 O LEU A 50 -4.960 -8.451 -0.342 1.00 0.00 O ATOM 755 CB LEU A 50 -4.668 -5.253 0.176 1.00 0.00 C ATOM 756 CG LEU A 50 -4.012 -3.876 0.056 1.00 0.00 C ATOM 757 CD1 LEU A 50 -4.982 -2.768 0.472 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.705 -3.821 0.850 1.00 0.00 C ATOM 0 H LEU A 50 -3.706 -6.326 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.965 -6.253 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.388 -5.362 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.231 -5.285 1.109 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.761 -3.707 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.491 -1.800 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.861 -2.793 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.286 -2.921 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.259 -2.832 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.910 -4.020 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.014 -4.572 0.466 1.00 0.00 H new ATOM 770 N SER A 51 -4.302 -8.110 1.795 1.00 0.00 N ATOM 771 CA SER A 51 -4.894 -9.341 2.291 1.00 0.00 C ATOM 772 C SER A 51 -5.039 -9.276 3.813 1.00 0.00 C ATOM 773 O SER A 51 -4.182 -8.720 4.498 1.00 0.00 O ATOM 774 CB SER A 51 -4.055 -10.556 1.889 1.00 0.00 C ATOM 775 OG SER A 51 -4.842 -11.740 1.796 1.00 0.00 O ATOM 0 H SER A 51 -3.829 -7.549 2.503 1.00 0.00 H new ATOM 0 HA SER A 51 -5.882 -9.451 1.843 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.575 -10.364 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.260 -10.705 2.619 1.00 0.00 H new ATOM 0 HG SER A 51 -4.257 -12.525 1.837 1.00 0.00 H new ATOM 781 N THR A 52 -6.129 -9.852 4.296 1.00 0.00 N ATOM 782 CA THR A 52 -6.398 -9.867 5.724 1.00 0.00 C ATOM 783 C THR A 52 -5.778 -11.108 6.370 1.00 0.00 C ATOM 784 O THR A 52 -6.354 -11.686 7.291 1.00 0.00 O ATOM 785 CB THR A 52 -7.912 -9.771 5.922 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.450 -10.579 4.878 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.453 -8.371 5.627 1.00 0.00 C ATOM 0 H THR A 52 -6.837 -10.312 3.724 1.00 0.00 H new ATOM 0 HA THR A 52 -5.937 -9.014 6.222 1.00 0.00 H new ATOM 0 HB THR A 52 -8.163 -10.048 6.946 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.428 -10.575 4.932 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.532 -8.358 5.783 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.981 -7.650 6.295 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.232 -8.106 4.593 1.00 0.00 H new ATOM 795 N ASN A 53 -4.612 -11.480 5.863 1.00 0.00 N ATOM 796 CA ASN A 53 -3.908 -12.642 6.379 1.00 0.00 C ATOM 797 C ASN A 53 -2.400 -12.392 6.307 1.00 0.00 C ATOM 798 O ASN A 53 -1.874 -12.047 5.250 1.00 0.00 O ATOM 799 CB ASN A 53 -4.221 -13.889 5.550 1.00 0.00 C ATOM 800 CG ASN A 53 -4.814 -14.995 6.426 1.00 0.00 C ATOM 801 OD1 ASN A 53 -4.853 -14.905 7.642 1.00 0.00 O ATOM 802 ND2 ASN A 53 -5.271 -16.040 5.742 1.00 0.00 N ATOM 0 H ASN A 53 -4.137 -10.997 5.100 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.231 -12.803 7.408 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.922 -13.635 4.755 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.311 -14.249 5.070 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.685 -16.831 6.235 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.207 -16.051 4.724 1.00 0.00 H new ATOM 809 N ARG A 54 -1.747 -12.577 7.445 1.00 0.00 N ATOM 810 CA ARG A 54 -0.310 -12.376 7.524 1.00 0.00 C ATOM 811 C ARG A 54 0.408 -13.274 6.514 1.00 0.00 C ATOM 812 O ARG A 54 1.531 -12.982 6.107 1.00 0.00 O ATOM 813 CB ARG A 54 0.212 -12.682 8.929 1.00 0.00 C ATOM 814 CG ARG A 54 0.348 -14.190 9.148 1.00 0.00 C ATOM 815 CD ARG A 54 0.107 -14.556 10.614 1.00 0.00 C ATOM 816 NE ARG A 54 -0.588 -15.859 10.703 1.00 0.00 N ATOM 817 CZ ARG A 54 0.036 -17.045 10.693 1.00 0.00 C ATOM 818 NH1 ARG A 54 1.372 -17.099 10.598 1.00 0.00 N ATOM 819 NH2 ARG A 54 -0.675 -18.177 10.778 1.00 0.00 N ATOM 0 H ARG A 54 -2.186 -12.864 8.320 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.108 -11.330 7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.180 -12.201 9.074 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.467 -12.263 9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.365 -14.719 8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.344 -14.516 8.847 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.057 -14.604 11.146 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.490 -13.782 11.097 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.605 -15.854 10.777 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.914 -16.237 10.533 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.847 -18.002 10.590 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.692 -18.136 10.850 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.200 -19.080 10.770 1.00 0.00 H new ATOM 833 N ASN A 55 -0.270 -14.349 6.139 1.00 0.00 N ATOM 834 CA ASN A 55 0.288 -15.291 5.185 1.00 0.00 C ATOM 835 C ASN A 55 0.796 -14.529 3.959 1.00 0.00 C ATOM 836 O ASN A 55 1.675 -15.009 3.245 1.00 0.00 O ATOM 837 CB ASN A 55 -0.769 -16.292 4.715 1.00 0.00 C ATOM 838 CG ASN A 55 -1.594 -16.812 5.894 1.00 0.00 C ATOM 839 OD1 ASN A 55 -2.288 -16.073 6.573 1.00 0.00 O ATOM 840 ND2 ASN A 55 -1.481 -18.121 6.098 1.00 0.00 N ATOM 0 H ASN A 55 -1.201 -14.588 6.479 1.00 0.00 H new ATOM 0 HA ASN A 55 1.099 -15.828 5.677 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.427 -15.817 3.988 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.285 -17.127 4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.993 -18.564 6.861 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.882 -18.682 5.492 1.00 0.00 H new ATOM 847 N LEU A 56 0.220 -13.354 3.753 1.00 0.00 N ATOM 848 CA LEU A 56 0.603 -12.520 2.626 1.00 0.00 C ATOM 849 C LEU A 56 2.126 -12.371 2.602 1.00 0.00 C ATOM 850 O LEU A 56 2.754 -12.551 1.559 1.00 0.00 O ATOM 851 CB LEU A 56 -0.144 -11.186 2.668 1.00 0.00 C ATOM 852 CG LEU A 56 -0.897 -10.798 1.394 1.00 0.00 C ATOM 853 CD1 LEU A 56 -1.239 -9.307 1.391 1.00 0.00 C ATOM 854 CD2 LEU A 56 -0.111 -11.208 0.147 1.00 0.00 C ATOM 0 H LEU A 56 -0.509 -12.959 4.347 1.00 0.00 H new ATOM 0 HA LEU A 56 0.313 -12.992 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.857 -11.217 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.573 -10.398 2.897 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.840 -11.344 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.774 -9.058 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.867 -9.076 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.320 -8.723 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.668 -10.921 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.858 -10.708 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.038 -12.288 0.150 1.00 0.00 H new ATOM 866 N LEU A 57 2.676 -12.045 3.762 1.00 0.00 N ATOM 867 CA LEU A 57 4.112 -11.870 3.887 1.00 0.00 C ATOM 868 C LEU A 57 4.808 -13.209 3.637 1.00 0.00 C ATOM 869 O LEU A 57 5.981 -13.244 3.267 1.00 0.00 O ATOM 870 CB LEU A 57 4.460 -11.239 5.236 1.00 0.00 C ATOM 871 CG LEU A 57 3.555 -10.093 5.694 1.00 0.00 C ATOM 872 CD1 LEU A 57 4.217 -9.284 6.811 1.00 0.00 C ATOM 873 CD2 LEU A 57 3.147 -9.211 4.512 1.00 0.00 C ATOM 0 H LEU A 57 2.152 -11.897 4.625 1.00 0.00 H new ATOM 0 HA LEU A 57 4.478 -11.174 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.437 -12.020 5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.484 -10.870 5.189 1.00 0.00 H new ATOM 0 HG LEU A 57 2.642 -10.523 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.553 -8.476 7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.415 -9.934 7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.156 -8.864 6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.504 -8.404 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.038 -8.788 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.607 -9.811 3.780 1.00 0.00 H new ATOM 885 N LEU A 58 4.056 -14.279 3.849 1.00 0.00 N ATOM 886 CA LEU A 58 4.586 -15.618 3.652 1.00 0.00 C ATOM 887 C LEU A 58 4.711 -15.896 2.152 1.00 0.00 C ATOM 888 O LEU A 58 5.650 -16.560 1.716 1.00 0.00 O ATOM 889 CB LEU A 58 3.736 -16.647 4.400 1.00 0.00 C ATOM 890 CG LEU A 58 2.943 -17.623 3.529 1.00 0.00 C ATOM 891 CD1 LEU A 58 3.880 -18.513 2.710 1.00 0.00 C ATOM 892 CD2 LEU A 58 1.966 -18.442 4.373 1.00 0.00 C ATOM 0 H LEU A 58 3.084 -14.246 4.155 1.00 0.00 H new ATOM 0 HA LEU A 58 5.587 -15.698 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.391 -17.224 5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.036 -16.113 5.042 1.00 0.00 H new ATOM 0 HG LEU A 58 2.349 -17.044 2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.291 -19.197 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.499 -17.891 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.519 -19.085 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.415 -19.128 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.519 -19.011 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.266 -17.772 4.872 1.00 0.00 H new ATOM 904 N ALA A 59 3.749 -15.375 1.405 1.00 0.00 N ATOM 905 CA ALA A 59 3.739 -15.559 -0.037 1.00 0.00 C ATOM 906 C ALA A 59 4.957 -14.860 -0.644 1.00 0.00 C ATOM 907 O ALA A 59 5.110 -13.646 -0.513 1.00 0.00 O ATOM 908 CB ALA A 59 2.420 -15.036 -0.609 1.00 0.00 C ATOM 0 H ALA A 59 2.971 -14.826 1.771 1.00 0.00 H new ATOM 0 HA ALA A 59 3.807 -16.617 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.412 -15.174 -1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.589 -15.585 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.318 -13.976 -0.378 1.00 0.00 H new ATOM 914 N LYS A 60 5.791 -15.655 -1.297 1.00 0.00 N ATOM 915 CA LYS A 60 6.991 -15.127 -1.925 1.00 0.00 C ATOM 916 C LYS A 60 6.855 -15.236 -3.445 1.00 0.00 C ATOM 917 O LYS A 60 7.453 -14.455 -4.183 1.00 0.00 O ATOM 918 CB LYS A 60 8.236 -15.819 -1.368 1.00 0.00 C ATOM 919 CG LYS A 60 8.801 -15.051 -0.171 1.00 0.00 C ATOM 920 CD LYS A 60 10.286 -15.361 0.028 1.00 0.00 C ATOM 921 CE LYS A 60 10.763 -14.897 1.406 1.00 0.00 C ATOM 922 NZ LYS A 60 11.892 -13.950 1.272 1.00 0.00 N ATOM 0 H LYS A 60 5.660 -16.661 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 60 7.111 -14.069 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.987 -16.837 -1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.994 -15.894 -2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.667 -13.980 -0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.247 -15.315 0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.455 -16.433 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.871 -14.868 -0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.941 -14.419 1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.071 -15.758 2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.203 -13.645 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.681 -14.418 0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.586 -13.121 0.724 1.00 0.00 H new ATOM 936 N SER A 61 6.065 -16.213 -3.868 1.00 0.00 N ATOM 937 CA SER A 61 5.843 -16.434 -5.287 1.00 0.00 C ATOM 938 C SER A 61 4.575 -15.707 -5.738 1.00 0.00 C ATOM 939 O SER A 61 3.856 -15.138 -4.918 1.00 0.00 O ATOM 940 CB SER A 61 5.739 -17.928 -5.602 1.00 0.00 C ATOM 941 OG SER A 61 6.811 -18.375 -6.427 1.00 0.00 O ATOM 0 H SER A 61 5.571 -16.860 -3.253 1.00 0.00 H new ATOM 0 HA SER A 61 6.697 -16.034 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.737 -18.495 -4.671 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.790 -18.128 -6.100 1.00 0.00 H new ATOM 0 HG SER A 61 6.710 -19.334 -6.604 1.00 0.00 H new ATOM 947 N PRO A 62 4.332 -15.751 -7.076 1.00 0.00 N ATOM 948 CA PRO A 62 3.162 -15.104 -7.645 1.00 0.00 C ATOM 949 C PRO A 62 1.894 -15.908 -7.353 1.00 0.00 C ATOM 950 O PRO A 62 0.899 -15.356 -6.884 1.00 0.00 O ATOM 951 CB PRO A 62 3.462 -14.987 -9.131 1.00 0.00 C ATOM 952 CG PRO A 62 4.575 -15.983 -9.411 1.00 0.00 C ATOM 953 CD PRO A 62 5.160 -16.416 -8.077 1.00 0.00 C ATOM 0 HA PRO A 62 2.971 -14.122 -7.211 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.577 -15.212 -9.727 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.771 -13.974 -9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.188 -16.844 -9.956 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.344 -15.530 -10.036 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.126 -17.499 -7.963 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.205 -16.119 -7.988 1.00 0.00 H new ATOM 961 N SER A 63 1.969 -17.198 -7.643 1.00 0.00 N ATOM 962 CA SER A 63 0.839 -18.083 -7.417 1.00 0.00 C ATOM 963 C SER A 63 0.337 -17.935 -5.980 1.00 0.00 C ATOM 964 O SER A 63 -0.868 -17.951 -5.735 1.00 0.00 O ATOM 965 CB SER A 63 1.215 -19.539 -7.700 1.00 0.00 C ATOM 966 OG SER A 63 0.813 -19.950 -9.004 1.00 0.00 O ATOM 0 H SER A 63 2.795 -17.652 -8.033 1.00 0.00 H new ATOM 0 HA SER A 63 0.041 -17.801 -8.104 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.293 -19.662 -7.597 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.749 -20.185 -6.956 1.00 0.00 H new ATOM 0 HG SER A 63 1.072 -20.884 -9.147 1.00 0.00 H new ATOM 972 N ASP A 64 1.287 -17.793 -5.067 1.00 0.00 N ATOM 973 CA ASP A 64 0.956 -17.641 -3.660 1.00 0.00 C ATOM 974 C ASP A 64 0.024 -16.440 -3.486 1.00 0.00 C ATOM 975 O ASP A 64 -1.035 -16.556 -2.871 1.00 0.00 O ATOM 976 CB ASP A 64 2.212 -17.391 -2.823 1.00 0.00 C ATOM 977 CG ASP A 64 2.257 -18.135 -1.487 1.00 0.00 C ATOM 978 OD1 ASP A 64 1.187 -18.220 -0.848 1.00 0.00 O ATOM 979 OD2 ASP A 64 3.362 -18.603 -1.135 1.00 0.00 O ATOM 0 H ASP A 64 2.286 -17.780 -5.274 1.00 0.00 H new ATOM 0 HA ASP A 64 0.477 -18.561 -3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.085 -17.677 -3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.294 -16.322 -2.629 1.00 0.00 H new ATOM 984 N PHE A 65 0.452 -15.315 -4.039 1.00 0.00 N ATOM 985 CA PHE A 65 -0.330 -14.094 -3.953 1.00 0.00 C ATOM 986 C PHE A 65 -1.710 -14.281 -4.588 1.00 0.00 C ATOM 987 O PHE A 65 -2.643 -13.539 -4.284 1.00 0.00 O ATOM 988 CB PHE A 65 0.433 -13.018 -4.727 1.00 0.00 C ATOM 989 CG PHE A 65 1.730 -12.567 -4.052 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.760 -12.358 -2.708 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.852 -12.374 -4.795 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.963 -11.940 -2.081 1.00 0.00 C ATOM 993 CE2 PHE A 65 4.056 -11.955 -4.168 1.00 0.00 C ATOM 994 CZ PHE A 65 4.086 -11.747 -2.824 1.00 0.00 C ATOM 0 H PHE A 65 1.331 -15.223 -4.549 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.475 -13.818 -2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.666 -13.397 -5.722 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.215 -12.152 -4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.868 -12.510 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.828 -12.539 -5.862 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.987 -11.775 -1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.947 -11.802 -4.758 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.001 -11.429 -2.347 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.795 -15.276 -5.459 1.00 0.00 N ATOM 1005 CA LEU A 66 -3.045 -15.570 -6.139 1.00 0.00 C ATOM 1006 C LEU A 66 -3.976 -16.319 -5.185 1.00 0.00 C ATOM 1007 O LEU A 66 -5.142 -16.549 -5.503 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.779 -16.313 -7.450 1.00 0.00 C ATOM 1009 CG LEU A 66 -1.882 -15.593 -8.459 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.406 -16.553 -9.551 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.587 -14.367 -9.042 1.00 0.00 C ATOM 0 H LEU A 66 -1.019 -15.889 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.553 -14.647 -6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.326 -17.276 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.736 -16.520 -7.928 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.996 -15.236 -7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.770 -16.016 -10.255 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.840 -17.367 -9.098 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.268 -16.960 -10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.928 -13.874 -9.756 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.501 -14.679 -9.547 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.835 -13.674 -8.238 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.427 -16.681 -4.035 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.194 -17.400 -3.032 1.00 0.00 C ATOM 1025 C ALA A 67 -5.113 -16.420 -2.299 1.00 0.00 C ATOM 1026 O ALA A 67 -6.162 -16.810 -1.789 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.239 -18.125 -2.082 1.00 0.00 C ATOM 0 H ALA A 67 -2.459 -16.490 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.825 -18.156 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.814 -18.664 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.629 -18.830 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.592 -17.398 -1.592 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.685 -15.166 -2.271 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.456 -14.127 -1.609 1.00 0.00 C ATOM 1035 C PHE A 68 -6.243 -13.296 -2.626 1.00 0.00 C ATOM 1036 O PHE A 68 -5.663 -12.502 -3.364 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.458 -13.219 -0.889 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.426 -13.973 -0.047 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -3.772 -14.461 1.175 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -2.164 -14.154 -0.520 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -2.815 -15.160 1.956 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -1.207 -14.854 0.262 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.553 -15.342 1.484 1.00 0.00 C ATOM 0 H PHE A 68 -3.815 -14.846 -2.696 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.169 -14.576 -0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.935 -12.612 -1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.007 -12.533 -0.244 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.774 -14.317 1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.890 -13.766 -1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.089 -15.548 2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.205 -14.999 -0.113 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.825 -15.874 2.079 1.00 0.00 H new ATOM 1053 N THR A 69 -7.550 -13.509 -2.630 1.00 0.00 N ATOM 1054 CA THR A 69 -8.422 -12.789 -3.544 1.00 0.00 C ATOM 1055 C THR A 69 -9.645 -12.249 -2.800 1.00 0.00 C ATOM 1056 O THR A 69 -10.769 -12.351 -3.289 1.00 0.00 O ATOM 1057 CB THR A 69 -8.779 -13.730 -4.696 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.479 -14.799 -4.068 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.547 -14.400 -5.308 1.00 0.00 C ATOM 0 H THR A 69 -8.027 -14.169 -2.016 1.00 0.00 H new ATOM 0 HA THR A 69 -7.922 -11.915 -3.962 1.00 0.00 H new ATOM 0 HB THR A 69 -9.310 -13.173 -5.468 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.749 -15.455 -4.744 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.856 -15.057 -6.121 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.872 -13.637 -5.695 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.034 -14.984 -4.544 1.00 0.00 H new ATOM 1067 N ASP A 70 -9.384 -11.685 -1.629 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.449 -11.129 -0.813 1.00 0.00 C ATOM 1069 C ASP A 70 -10.479 -9.609 -0.987 1.00 0.00 C ATOM 1070 O ASP A 70 -11.550 -9.005 -1.023 1.00 0.00 O ATOM 1071 CB ASP A 70 -10.222 -11.430 0.670 1.00 0.00 C ATOM 1072 CG ASP A 70 -9.615 -12.803 0.965 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -8.610 -13.134 0.299 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -10.170 -13.491 1.849 1.00 0.00 O ATOM 0 H ASP A 70 -8.450 -11.602 -1.227 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.388 -11.580 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.568 -10.663 1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.176 -11.351 1.192 1.00 0.00 H new ATOM 1079 N MET A 71 -9.289 -9.034 -1.091 1.00 0.00 N ATOM 1080 CA MET A 71 -9.165 -7.596 -1.261 1.00 0.00 C ATOM 1081 C MET A 71 -8.518 -7.257 -2.605 1.00 0.00 C ATOM 1082 O MET A 71 -7.892 -6.208 -2.750 1.00 0.00 O ATOM 1083 CB MET A 71 -8.317 -7.020 -0.126 1.00 0.00 C ATOM 1084 CG MET A 71 -9.035 -7.154 1.218 1.00 0.00 C ATOM 1085 SD MET A 71 -8.061 -6.398 2.509 1.00 0.00 S ATOM 1086 CE MET A 71 -7.948 -4.732 1.877 1.00 0.00 C ATOM 0 H MET A 71 -8.403 -9.538 -1.061 1.00 0.00 H new ATOM 0 HA MET A 71 -10.163 -7.158 -1.239 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.359 -7.539 -0.084 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.102 -5.970 -0.325 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.015 -6.679 1.165 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.203 -8.206 1.447 1.00 0.00 H new ATOM 0 HE1 MET A 71 -7.558 -4.074 2.654 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.279 -4.714 1.017 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.938 -4.390 1.574 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.692 -8.164 -3.555 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.133 -7.974 -4.883 1.00 0.00 C ATOM 1098 C ALA A 72 -9.110 -7.156 -5.730 1.00 0.00 C ATOM 1099 O ALA A 72 -8.695 -6.298 -6.508 1.00 0.00 O ATOM 1100 CB ALA A 72 -7.820 -9.336 -5.505 1.00 0.00 C ATOM 0 H ALA A 72 -9.212 -9.033 -3.432 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.197 -7.418 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.401 -9.193 -6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.100 -9.864 -4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.736 -9.922 -5.577 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.389 -7.450 -5.551 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.428 -6.752 -6.289 1.00 0.00 C ATOM 1108 C ASP A 73 -11.345 -5.255 -5.987 1.00 0.00 C ATOM 1109 O ASP A 73 -11.459 -4.844 -4.833 1.00 0.00 O ATOM 1110 CB ASP A 73 -12.818 -7.241 -5.878 1.00 0.00 C ATOM 1111 CG ASP A 73 -13.984 -6.545 -6.584 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -13.993 -6.581 -7.833 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -14.838 -5.992 -5.858 1.00 0.00 O ATOM 0 H ASP A 73 -10.730 -8.162 -4.905 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.276 -6.947 -7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.882 -8.312 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.931 -7.105 -4.802 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.141 -4.460 -7.071 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.042 -3.017 -6.934 1.00 0.00 C ATOM 1120 C PRO A 74 -12.417 -2.393 -6.691 1.00 0.00 C ATOM 1121 O PRO A 74 -12.515 -1.257 -6.231 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.393 -2.543 -8.224 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.578 -3.673 -9.223 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.001 -4.912 -8.452 1.00 0.00 C ATOM 0 HA PRO A 74 -10.448 -2.716 -6.071 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.860 -1.625 -8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.336 -2.325 -8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.333 -3.408 -9.964 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.651 -3.859 -9.765 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.939 -5.315 -8.834 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.257 -5.704 -8.536 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.446 -3.164 -7.012 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.812 -2.701 -6.835 1.00 0.00 C ATOM 1134 C ASN A 75 -15.321 -3.141 -5.461 1.00 0.00 C ATOM 1135 O ASN A 75 -16.471 -2.881 -5.108 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.738 -3.298 -7.896 1.00 0.00 C ATOM 1137 CG ASN A 75 -15.381 -2.780 -9.290 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -15.691 -1.660 -9.663 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -14.714 -3.654 -10.038 1.00 0.00 N ATOM 0 H ASN A 75 -13.361 -4.106 -7.394 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.814 -1.615 -6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.664 -4.385 -7.878 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.773 -3.045 -7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.430 -3.403 -10.985 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.486 -4.575 -9.665 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.440 -3.800 -4.722 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.786 -4.279 -3.395 1.00 0.00 C ATOM 1148 C LEU A 76 -14.548 -3.162 -2.376 1.00 0.00 C ATOM 1149 O LEU A 76 -13.610 -2.379 -2.517 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.032 -5.571 -3.078 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.034 -6.007 -1.611 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -14.681 -7.383 -1.449 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.621 -5.966 -1.025 1.00 0.00 C ATOM 0 H LEU A 76 -13.487 -4.013 -5.017 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.844 -4.535 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.462 -6.375 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.997 -5.453 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.638 -5.298 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.669 -7.669 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -15.711 -7.345 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.124 -8.118 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.651 -6.280 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.974 -6.638 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.231 -4.950 -1.087 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.413 -3.125 -1.373 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.308 -2.117 -0.332 1.00 0.00 C ATOM 1167 C ARG A 77 -14.546 -2.675 0.872 1.00 0.00 C ATOM 1168 O ARG A 77 -14.477 -3.889 1.059 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.692 -1.649 0.123 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.533 -1.187 -1.069 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.531 -2.269 -1.488 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.904 -1.865 -1.108 1.00 0.00 N ATOM 1173 CZ ARG A 77 -20.981 -2.651 -1.239 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -20.852 -3.886 -1.741 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -22.188 -2.201 -0.868 1.00 0.00 N ATOM 0 H ARG A 77 -16.189 -3.777 -1.259 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.767 -1.267 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.203 -2.461 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.587 -0.832 0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.069 -0.274 -0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.880 -0.945 -1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.475 -2.430 -2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.276 -3.215 -1.011 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.038 -0.930 -0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.934 -4.228 -2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.672 -4.484 -1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -22.286 -1.260 -0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -23.008 -2.799 -0.968 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.992 -1.762 1.656 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.236 -2.147 2.836 1.00 0.00 C ATOM 1191 C ILE A 78 -14.203 -2.633 3.918 1.00 0.00 C ATOM 1192 O ILE A 78 -13.875 -3.534 4.689 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.331 -1.001 3.290 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -13.136 0.282 3.504 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -11.174 -0.795 2.310 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.531 1.128 4.627 1.00 0.00 C ATOM 0 H ILE A 78 -14.052 -0.756 1.497 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.568 -2.978 2.607 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.895 -1.271 4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.158 0.860 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.168 0.031 3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.546 0.026 2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.580 -1.707 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.571 -0.557 1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.122 2.034 4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.532 0.556 5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.507 1.397 4.368 1.00 0.00 H new ATOM 1208 N SER A 79 -15.375 -2.016 3.940 1.00 0.00 N ATOM 1209 CA SER A 79 -16.391 -2.375 4.915 1.00 0.00 C ATOM 1210 C SER A 79 -16.725 -3.863 4.799 1.00 0.00 C ATOM 1211 O SER A 79 -17.290 -4.450 5.721 1.00 0.00 O ATOM 1212 CB SER A 79 -17.654 -1.531 4.730 1.00 0.00 C ATOM 1213 OG SER A 79 -18.382 -1.385 5.946 1.00 0.00 O ATOM 0 H SER A 79 -15.644 -1.270 3.299 1.00 0.00 H new ATOM 0 HA SER A 79 -15.996 -2.175 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.380 -0.546 4.351 1.00 0.00 H new ATOM 0 HB3 SER A 79 -18.293 -1.995 3.979 1.00 0.00 H new ATOM 0 HG SER A 79 -19.180 -0.839 5.786 1.00 0.00 H new ATOM 1219 N SER A 80 -16.362 -4.431 3.659 1.00 0.00 N ATOM 1220 CA SER A 80 -16.616 -5.840 3.411 1.00 0.00 C ATOM 1221 C SER A 80 -15.952 -6.691 4.496 1.00 0.00 C ATOM 1222 O SER A 80 -16.451 -7.761 4.842 1.00 0.00 O ATOM 1223 CB SER A 80 -16.110 -6.256 2.028 1.00 0.00 C ATOM 1224 OG SER A 80 -16.067 -7.672 1.878 1.00 0.00 O ATOM 0 H SER A 80 -15.894 -3.941 2.896 1.00 0.00 H new ATOM 0 HA SER A 80 -17.693 -6.003 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.758 -5.830 1.262 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.114 -5.844 1.868 1.00 0.00 H new ATOM 0 HG SER A 80 -16.372 -7.915 0.979 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.838 -6.183 5.002 1.00 0.00 N ATOM 1231 CA LEU A 81 -14.102 -6.883 6.041 1.00 0.00 C ATOM 1232 C LEU A 81 -14.336 -6.187 7.383 1.00 0.00 C ATOM 1233 O LEU A 81 -14.177 -6.798 8.439 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.625 -7.005 5.661 1.00 0.00 C ATOM 1235 CG LEU A 81 -12.308 -6.929 4.166 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.800 -6.825 3.929 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.926 -8.110 3.414 1.00 0.00 C ATOM 0 H LEU A 81 -14.427 -5.295 4.712 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.467 -7.905 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.073 -6.215 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.249 -7.954 6.044 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.760 -6.021 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.603 -6.772 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.417 -5.927 4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.305 -7.702 4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.686 -8.032 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.525 -9.043 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.008 -8.097 3.543 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.711 -4.919 7.299 1.00 0.00 N ATOM 1250 CA ASN A 82 -14.969 -4.134 8.494 1.00 0.00 C ATOM 1251 C ASN A 82 -13.644 -3.616 9.054 1.00 0.00 C ATOM 1252 O ASN A 82 -13.314 -3.867 10.212 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.641 -4.982 9.576 1.00 0.00 C ATOM 1254 CG ASN A 82 -16.504 -4.115 10.495 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.710 -4.013 10.342 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -15.821 -3.499 11.455 1.00 0.00 N ATOM 0 H ASN A 82 -14.842 -4.416 6.422 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.628 -3.310 8.221 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.258 -5.750 9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.881 -5.497 10.164 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.306 -2.897 12.120 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.812 -3.628 11.526 1.00 0.00 H new ATOM 1263 N LEU A 83 -12.919 -2.901 8.206 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.636 -2.344 8.602 1.00 0.00 C ATOM 1265 C LEU A 83 -11.859 -0.990 9.278 1.00 0.00 C ATOM 1266 O LEU A 83 -12.210 -0.013 8.618 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.685 -2.285 7.405 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.410 -3.615 6.700 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -10.195 -4.739 7.715 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -11.522 -3.947 5.703 1.00 0.00 C ATOM 0 H LEU A 83 -13.196 -2.694 7.246 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.150 -2.989 9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.095 -1.587 6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.734 -1.872 7.742 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.486 -3.515 6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.002 -5.673 7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.343 -4.498 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.087 -4.848 8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.302 -4.897 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.473 -4.021 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.584 -3.160 4.952 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.647 -0.975 10.586 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.821 0.243 11.359 1.00 0.00 C ATOM 1284 C ALA A 84 -10.452 0.870 11.629 1.00 0.00 C ATOM 1285 O ALA A 84 -9.420 0.274 11.321 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.581 -0.074 12.648 1.00 0.00 C ATOM 0 H ALA A 84 -11.356 -1.787 11.130 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.413 0.969 10.802 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.711 0.840 13.228 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.558 -0.490 12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.016 -0.798 13.235 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.486 2.064 12.201 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.260 2.779 12.516 1.00 0.00 C ATOM 1294 C HIS A 85 -8.448 1.980 13.537 1.00 0.00 C ATOM 1295 O HIS A 85 -8.707 2.054 14.737 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.567 4.202 12.986 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.351 5.093 13.078 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.344 6.402 12.627 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.104 4.851 13.576 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -7.142 6.914 12.846 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.375 5.951 13.434 1.00 0.00 N ATOM 0 H HIS A 85 -11.343 2.555 12.455 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.651 2.878 11.617 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.285 4.653 12.301 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.046 4.156 13.964 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -9.131 6.890 12.199 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.767 3.922 14.012 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.825 7.917 12.602 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.482 1.233 13.023 1.00 0.00 N ATOM 1310 CA GLY A 86 -6.630 0.420 13.875 1.00 0.00 C ATOM 1311 C GLY A 86 -6.535 -1.013 13.349 1.00 0.00 C ATOM 1312 O GLY A 86 -5.584 -1.729 13.656 1.00 0.00 O ATOM 0 H GLY A 86 -7.270 1.174 12.027 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.634 0.860 13.925 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.026 0.413 14.890 1.00 0.00 H new ATOM 1316 N SER A 87 -7.535 -1.389 12.564 1.00 0.00 N ATOM 1317 CA SER A 87 -7.576 -2.724 11.992 1.00 0.00 C ATOM 1318 C SER A 87 -6.194 -3.107 11.459 1.00 0.00 C ATOM 1319 O SER A 87 -5.320 -2.254 11.319 1.00 0.00 O ATOM 1320 CB SER A 87 -8.618 -2.813 10.876 1.00 0.00 C ATOM 1321 OG SER A 87 -9.943 -2.627 11.366 1.00 0.00 O ATOM 0 H SER A 87 -8.323 -0.792 12.311 1.00 0.00 H new ATOM 0 HA SER A 87 -7.863 -3.424 12.777 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.403 -2.060 10.118 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.545 -3.785 10.389 1.00 0.00 H new ATOM 0 HG SER A 87 -10.432 -3.475 11.318 1.00 0.00 H new ATOM 1327 N MET A 88 -6.040 -4.393 11.177 1.00 0.00 N ATOM 1328 CA MET A 88 -4.779 -4.900 10.663 1.00 0.00 C ATOM 1329 C MET A 88 -4.907 -5.296 9.190 1.00 0.00 C ATOM 1330 O MET A 88 -5.954 -5.778 8.762 1.00 0.00 O ATOM 1331 CB MET A 88 -4.346 -6.117 11.483 1.00 0.00 C ATOM 1332 CG MET A 88 -2.956 -6.596 11.060 1.00 0.00 C ATOM 1333 SD MET A 88 -1.717 -5.919 12.152 1.00 0.00 S ATOM 1334 CE MET A 88 -0.554 -5.294 10.952 1.00 0.00 C ATOM 0 H MET A 88 -6.767 -5.098 11.295 1.00 0.00 H new ATOM 0 HA MET A 88 -4.031 -4.111 10.744 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.340 -5.863 12.543 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.068 -6.923 11.353 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.916 -7.685 11.082 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.754 -6.290 10.034 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.432 -5.716 11.147 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.878 -5.576 9.950 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.505 -4.208 11.025 1.00 0.00 H new ATOM 1344 N VAL A 89 -3.826 -5.077 8.456 1.00 0.00 N ATOM 1345 CA VAL A 89 -3.804 -5.405 7.041 1.00 0.00 C ATOM 1346 C VAL A 89 -2.363 -5.682 6.608 1.00 0.00 C ATOM 1347 O VAL A 89 -1.419 -5.224 7.250 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.465 -4.286 6.234 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -4.358 -4.556 4.732 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -5.924 -4.096 6.654 1.00 0.00 C ATOM 0 H VAL A 89 -2.959 -4.676 8.815 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.381 -6.310 6.850 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.931 -3.360 6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.836 -3.745 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.308 -4.618 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.854 -5.497 4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.371 -3.295 6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.475 -5.021 6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.967 -3.836 7.712 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.238 -6.431 5.522 1.00 0.00 N ATOM 1361 CA TYR A 90 -0.928 -6.775 4.996 1.00 0.00 C ATOM 1362 C TYR A 90 -0.805 -6.373 3.525 1.00 0.00 C ATOM 1363 O TYR A 90 -1.732 -6.578 2.742 1.00 0.00 O ATOM 1364 CB TYR A 90 -0.815 -8.296 5.108 1.00 0.00 C ATOM 1365 CG TYR A 90 -0.770 -8.813 6.548 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.430 -8.857 7.228 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -1.930 -9.234 7.166 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.472 -9.343 8.583 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -1.888 -9.720 8.520 1.00 0.00 C ATOM 1370 CZ TYR A 90 -0.689 -9.751 9.162 1.00 0.00 C ATOM 1371 OH TYR A 90 -0.650 -10.210 10.442 1.00 0.00 O ATOM 0 H TYR A 90 -3.023 -6.809 4.992 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.144 -6.256 5.548 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.662 -8.752 4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.085 -8.622 4.587 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.337 -8.527 6.744 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.869 -9.199 6.634 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.404 -9.383 9.127 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.788 -10.053 9.015 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.553 -10.465 10.726 1.00 0.00 H new ATOM 1381 N LEU A 91 0.346 -5.808 3.193 1.00 0.00 N ATOM 1382 CA LEU A 91 0.602 -5.375 1.830 1.00 0.00 C ATOM 1383 C LEU A 91 1.781 -6.168 1.261 1.00 0.00 C ATOM 1384 O LEU A 91 2.905 -6.049 1.746 1.00 0.00 O ATOM 1385 CB LEU A 91 0.798 -3.859 1.776 1.00 0.00 C ATOM 1386 CG LEU A 91 1.280 -3.291 0.440 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.145 -3.262 -0.585 1.00 0.00 C ATOM 1388 CD2 LEU A 91 1.919 -1.914 0.627 1.00 0.00 C ATOM 0 H LEU A 91 1.112 -5.640 3.845 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.260 -5.584 1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.148 -3.381 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.515 -3.578 2.547 1.00 0.00 H new ATOM 0 HG LEU A 91 2.052 -3.953 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.515 -2.854 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.223 -4.275 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.666 -2.637 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.253 -1.534 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.187 -1.228 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.773 -1.997 1.299 1.00 0.00 H new ATOM 1400 N ALA A 92 1.484 -6.959 0.240 1.00 0.00 N ATOM 1401 CA ALA A 92 2.504 -7.771 -0.400 1.00 0.00 C ATOM 1402 C ALA A 92 2.714 -7.282 -1.834 1.00 0.00 C ATOM 1403 O ALA A 92 1.784 -7.294 -2.640 1.00 0.00 O ATOM 1404 CB ALA A 92 2.097 -9.244 -0.340 1.00 0.00 C ATOM 0 H ALA A 92 0.550 -7.054 -0.160 1.00 0.00 H new ATOM 0 HA ALA A 92 3.455 -7.674 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.863 -9.853 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.990 -9.550 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.147 -9.380 -0.857 1.00 0.00 H new ATOM 1410 N TYR A 93 3.940 -6.863 -2.110 1.00 0.00 N ATOM 1411 CA TYR A 93 4.283 -6.371 -3.433 1.00 0.00 C ATOM 1412 C TYR A 93 5.654 -6.889 -3.873 1.00 0.00 C ATOM 1413 O TYR A 93 6.465 -7.292 -3.040 1.00 0.00 O ATOM 1414 CB TYR A 93 4.341 -4.846 -3.314 1.00 0.00 C ATOM 1415 CG TYR A 93 5.420 -4.338 -2.356 1.00 0.00 C ATOM 1416 CD1 TYR A 93 6.748 -4.374 -2.731 1.00 0.00 C ATOM 1417 CD2 TYR A 93 5.065 -3.843 -1.118 1.00 0.00 C ATOM 1418 CE1 TYR A 93 7.763 -3.895 -1.829 1.00 0.00 C ATOM 1419 CE2 TYR A 93 6.081 -3.364 -0.216 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.380 -3.414 -0.616 1.00 0.00 C ATOM 1421 OH TYR A 93 8.339 -2.961 0.236 1.00 0.00 O ATOM 0 H TYR A 93 4.709 -6.854 -1.439 1.00 0.00 H new ATOM 0 HA TYR A 93 3.551 -6.706 -4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.517 -4.421 -4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.370 -4.481 -2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.025 -4.761 -3.700 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.026 -3.815 -0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.806 -3.917 -2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.817 -2.974 0.756 1.00 0.00 H new ATOM 0 HH TYR A 93 7.919 -2.647 1.064 1.00 0.00 H new ATOM 1431 N GLU A 94 5.871 -6.861 -5.179 1.00 0.00 N ATOM 1432 CA GLU A 94 7.130 -7.322 -5.739 1.00 0.00 C ATOM 1433 C GLU A 94 8.111 -6.156 -5.872 1.00 0.00 C ATOM 1434 O GLU A 94 7.706 -5.027 -6.144 1.00 0.00 O ATOM 1435 CB GLU A 94 6.910 -8.011 -7.088 1.00 0.00 C ATOM 1436 CG GLU A 94 6.921 -6.994 -8.231 1.00 0.00 C ATOM 1437 CD GLU A 94 6.590 -7.665 -9.566 1.00 0.00 C ATOM 1438 OE1 GLU A 94 5.672 -8.512 -9.562 1.00 0.00 O ATOM 1439 OE2 GLU A 94 7.264 -7.316 -10.559 1.00 0.00 O ATOM 0 H GLU A 94 5.196 -6.526 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 94 7.561 -8.057 -5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.689 -8.756 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.958 -8.542 -7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.197 -6.205 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.901 -6.520 -8.291 1.00 0.00 H new ATOM 1446 N GLY A 95 9.383 -6.469 -5.675 1.00 0.00 N ATOM 1447 CA GLY A 95 10.425 -5.461 -5.769 1.00 0.00 C ATOM 1448 C GLY A 95 10.160 -4.306 -4.801 1.00 0.00 C ATOM 1449 O GLY A 95 9.054 -4.169 -4.280 1.00 0.00 O ATOM 0 H GLY A 95 9.716 -7.407 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.393 -5.911 -5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.477 -5.081 -6.789 1.00 0.00 H new ATOM 1453 N GLU A 96 11.194 -3.505 -4.589 1.00 0.00 N ATOM 1454 CA GLU A 96 11.087 -2.366 -3.693 1.00 0.00 C ATOM 1455 C GLU A 96 10.125 -1.326 -4.270 1.00 0.00 C ATOM 1456 O GLU A 96 9.559 -1.526 -5.344 1.00 0.00 O ATOM 1457 CB GLU A 96 12.461 -1.751 -3.421 1.00 0.00 C ATOM 1458 CG GLU A 96 13.084 -2.339 -2.153 1.00 0.00 C ATOM 1459 CD GLU A 96 13.672 -1.237 -1.270 1.00 0.00 C ATOM 1460 OE1 GLU A 96 14.518 -0.481 -1.793 1.00 0.00 O ATOM 1461 OE2 GLU A 96 13.261 -1.175 -0.091 1.00 0.00 O ATOM 0 H GLU A 96 12.110 -3.622 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 96 10.687 -2.714 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 96 13.119 -1.932 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.365 -0.670 -3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.329 -2.893 -1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.865 -3.049 -2.423 1.00 0.00 H new ATOM 1468 N ARG A 97 9.969 -0.237 -3.531 1.00 0.00 N ATOM 1469 CA ARG A 97 9.085 0.836 -3.956 1.00 0.00 C ATOM 1470 C ARG A 97 9.734 1.643 -5.082 1.00 0.00 C ATOM 1471 O ARG A 97 10.955 1.636 -5.233 1.00 0.00 O ATOM 1472 CB ARG A 97 8.756 1.772 -2.791 1.00 0.00 C ATOM 1473 CG ARG A 97 8.227 0.986 -1.590 1.00 0.00 C ATOM 1474 CD ARG A 97 7.758 1.931 -0.481 1.00 0.00 C ATOM 1475 NE ARG A 97 8.502 1.653 0.768 1.00 0.00 N ATOM 1476 CZ ARG A 97 8.417 2.403 1.875 1.00 0.00 C ATOM 1477 NH1 ARG A 97 7.621 3.481 1.895 1.00 0.00 N ATOM 1478 NH2 ARG A 97 9.129 2.076 2.963 1.00 0.00 N ATOM 0 H ARG A 97 10.440 -0.074 -2.641 1.00 0.00 H new ATOM 0 HA ARG A 97 8.161 0.383 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.649 2.327 -2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.013 2.505 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.400 0.348 -1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.009 0.330 -1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.914 2.966 -0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.688 1.805 -0.313 1.00 0.00 H new ATOM 0 HE ARG A 97 9.118 0.840 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.080 3.731 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.556 4.052 2.738 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.736 1.256 2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.064 2.647 3.806 1.00 0.00 H new ATOM 1492 N THR A 98 8.888 2.320 -5.845 1.00 0.00 N ATOM 1493 CA THR A 98 9.363 3.130 -6.953 1.00 0.00 C ATOM 1494 C THR A 98 10.243 4.271 -6.440 1.00 0.00 C ATOM 1495 O THR A 98 10.656 4.269 -5.281 1.00 0.00 O ATOM 1496 CB THR A 98 8.144 3.611 -7.744 1.00 0.00 C ATOM 1497 OG1 THR A 98 7.214 4.009 -6.740 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.435 2.472 -8.478 1.00 0.00 C ATOM 0 H THR A 98 7.876 2.324 -5.717 1.00 0.00 H new ATOM 0 HA THR A 98 9.996 2.550 -7.624 1.00 0.00 H new ATOM 0 HB THR A 98 8.455 4.368 -8.464 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.525 3.319 -6.640 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.578 2.868 -9.023 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.127 2.005 -9.179 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.094 1.730 -7.756 1.00 0.00 H new