USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 549 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 122 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-4.3!) USER MOD Set 1.2: A 123 GLN : amide:sc= 0 X(o=-4.3,f=-3.9) USER MOD Set 2.1: A 84 HIS : no HD1:sc= -0.743 K(o=0.27,f=-5!) USER MOD Set 2.2: A 95 CYS SG : rot 19:sc= 1.01 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 80 ASN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot -91:sc= 0.494 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -50:sc= 0.107! USER MOD Single : A 99 LYS NZ :NH3+ -126:sc= -0.0123 (180deg=-0.689) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 117:sc= 0.0472 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 110 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.8!) USER MOD Single : A 113 GLN : amide:sc= -0.358 K(o=-0.36,f=-9!) USER MOD Single : A 119 ASN : amide:sc= -0.007 X(o=-0.007,f=-0.5) USER MOD Single : A 120 THR OG1 : rot 76:sc= 0.149 USER MOD Single : A 124 SER OG : rot -85:sc= 1.14 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN : amide:sc= -0.945 K(o=-0.94,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -4.639 5.637 4.018 1.00 0.00 N ATOM 60 CA GLY A 68 -3.379 4.918 3.981 1.00 0.00 C ATOM 61 C GLY A 68 -3.509 3.552 3.337 1.00 0.00 C ATOM 62 O GLY A 68 -4.561 2.917 3.422 1.00 0.00 O ATOM 0 HA2 GLY A 68 -2.644 5.507 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.000 4.803 4.997 1.00 0.00 H new ATOM 66 N ILE A 69 -2.440 3.100 2.691 1.00 0.00 N ATOM 67 CA ILE A 69 -2.441 1.801 2.030 1.00 0.00 C ATOM 68 C ILE A 69 -1.167 1.023 2.344 1.00 0.00 C ATOM 69 O ILE A 69 -0.122 1.610 2.625 1.00 0.00 O ATOM 70 CB ILE A 69 -2.576 1.946 0.502 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.399 2.745 -0.062 1.00 0.00 C ATOM 72 CG2 ILE A 69 -3.896 2.616 0.149 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.208 1.888 -0.429 1.00 0.00 C ATOM 0 H ILE A 69 -1.562 3.614 2.611 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.302 1.254 2.413 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.564 0.952 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.730 3.290 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.089 3.488 0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.977 2.712 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.722 2.011 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.935 3.605 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.588 2.520 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.149 1.363 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.502 1.162 -1.187 1.00 0.00 H new ATOM 85 N LEU A 70 -1.261 -0.301 2.293 1.00 0.00 N ATOM 86 CA LEU A 70 -0.116 -1.161 2.571 1.00 0.00 C ATOM 87 C LEU A 70 -0.025 -2.292 1.552 1.00 0.00 C ATOM 88 O LEU A 70 -0.983 -3.038 1.352 1.00 0.00 O ATOM 89 CB LEU A 70 -0.217 -1.738 3.984 1.00 0.00 C ATOM 90 CG LEU A 70 0.569 -3.024 4.241 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.054 -2.800 3.998 1.00 0.00 C ATOM 92 CD2 LEU A 70 0.328 -3.522 5.659 1.00 0.00 C ATOM 0 H LEU A 70 -2.118 -0.803 2.062 1.00 0.00 H new ATOM 0 HA LEU A 70 0.788 -0.556 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.124 -0.980 4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.268 -1.928 4.203 1.00 0.00 H new ATOM 0 HG LEU A 70 0.219 -3.786 3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.597 -3.726 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.211 -2.490 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.419 -2.023 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.895 -4.438 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.650 -2.762 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.734 -3.723 5.798 1.00 0.00 H new ATOM 104 N ILE A 71 1.134 -2.415 0.914 1.00 0.00 N ATOM 105 CA ILE A 71 1.351 -3.457 -0.081 1.00 0.00 C ATOM 106 C ILE A 71 2.459 -4.411 0.354 1.00 0.00 C ATOM 107 O ILE A 71 3.445 -3.996 0.963 1.00 0.00 O ATOM 108 CB ILE A 71 1.714 -2.860 -1.454 1.00 0.00 C ATOM 109 CG1 ILE A 71 0.492 -2.184 -2.079 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.258 -3.941 -2.375 1.00 0.00 C ATOM 111 CD1 ILE A 71 0.830 -1.287 -3.249 1.00 0.00 C ATOM 0 H ILE A 71 1.937 -1.806 1.069 1.00 0.00 H new ATOM 0 HA ILE A 71 0.414 -4.007 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 71 2.490 -2.107 -1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.208 -2.951 -2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.018 -1.596 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.510 -3.503 -3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.152 -4.381 -1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.503 -4.715 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.084 -0.842 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.506 -0.498 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.312 -1.874 -4.030 1.00 0.00 H new ATOM 123 N ARG A 72 2.290 -5.690 0.036 1.00 0.00 N ATOM 124 CA ARG A 72 3.275 -6.703 0.394 1.00 0.00 C ATOM 125 C ARG A 72 3.705 -7.501 -0.834 1.00 0.00 C ATOM 126 O ARG A 72 2.878 -7.879 -1.662 1.00 0.00 O ATOM 127 CB ARG A 72 2.706 -7.647 1.455 1.00 0.00 C ATOM 128 CG ARG A 72 2.507 -6.989 2.811 1.00 0.00 C ATOM 129 CD ARG A 72 2.165 -8.013 3.881 1.00 0.00 C ATOM 130 NE ARG A 72 3.219 -9.011 4.041 1.00 0.00 N ATOM 131 CZ ARG A 72 3.294 -10.123 3.319 1.00 0.00 C ATOM 132 NH1 ARG A 72 2.382 -10.378 2.391 1.00 0.00 N ATOM 133 NH2 ARG A 72 4.284 -10.983 3.523 1.00 0.00 N ATOM 0 H ARG A 72 1.480 -6.049 -0.469 1.00 0.00 H new ATOM 0 HA ARG A 72 4.149 -6.195 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.750 -8.038 1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.377 -8.499 1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.414 -6.454 3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.709 -6.250 2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.001 -7.504 4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.231 -8.511 3.621 1.00 0.00 H new ATOM 0 HE ARG A 72 3.937 -8.845 4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.620 -9.719 2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.442 -11.233 1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.988 -10.790 4.235 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.340 -11.837 2.968 1.00 0.00 H new ATOM 147 N GLY A 73 5.006 -7.752 -0.945 1.00 0.00 N ATOM 148 CA GLY A 73 5.523 -8.502 -2.074 1.00 0.00 C ATOM 149 C GLY A 73 5.809 -7.621 -3.274 1.00 0.00 C ATOM 150 O GLY A 73 4.995 -7.527 -4.193 1.00 0.00 O ATOM 0 H GLY A 73 5.711 -7.449 -0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.438 -9.015 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.804 -9.271 -2.355 1.00 0.00 H new ATOM 154 N LEU A 74 6.968 -6.972 -3.265 1.00 0.00 N ATOM 155 CA LEU A 74 7.360 -6.091 -4.361 1.00 0.00 C ATOM 156 C LEU A 74 8.483 -6.713 -5.184 1.00 0.00 C ATOM 157 O LEU A 74 9.307 -7.476 -4.680 1.00 0.00 O ATOM 158 CB LEU A 74 7.804 -4.733 -3.816 1.00 0.00 C ATOM 159 CG LEU A 74 6.765 -3.968 -2.994 1.00 0.00 C ATOM 160 CD1 LEU A 74 7.398 -2.754 -2.331 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.595 -3.547 -3.872 1.00 0.00 C ATOM 0 H LEU A 74 7.653 -7.039 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 74 6.495 -5.950 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.689 -4.884 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.106 -4.108 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 74 6.389 -4.629 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.644 -2.222 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.202 -3.078 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.802 -2.091 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.866 -3.004 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.955 -2.903 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.125 -4.432 -4.301 1.00 0.00 H new ATOM 173 N PRO A 75 8.519 -6.379 -6.483 1.00 0.00 N ATOM 174 CA PRO A 75 9.539 -6.892 -7.404 1.00 0.00 C ATOM 175 C PRO A 75 10.921 -6.317 -7.116 1.00 0.00 C ATOM 176 O PRO A 75 11.090 -5.504 -6.208 1.00 0.00 O ATOM 177 CB PRO A 75 9.042 -6.429 -8.776 1.00 0.00 C ATOM 178 CG PRO A 75 8.207 -5.229 -8.491 1.00 0.00 C ATOM 179 CD PRO A 75 7.569 -5.476 -7.152 1.00 0.00 C ATOM 0 HA PRO A 75 9.658 -7.972 -7.321 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.874 -6.185 -9.437 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.461 -7.208 -9.270 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.816 -4.325 -8.472 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.451 -5.088 -9.263 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.434 -4.549 -6.594 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.584 -5.933 -7.254 1.00 0.00 H new ATOM 187 N GLY A 76 11.909 -6.743 -7.898 1.00 0.00 N ATOM 188 CA GLY A 76 13.264 -6.259 -7.711 1.00 0.00 C ATOM 189 C GLY A 76 13.489 -4.902 -8.348 1.00 0.00 C ATOM 190 O GLY A 76 14.477 -4.228 -8.058 1.00 0.00 O ATOM 0 H GLY A 76 11.795 -7.414 -8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.480 -6.196 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.965 -6.977 -8.137 1.00 0.00 H new ATOM 194 N ASP A 77 12.571 -4.502 -9.221 1.00 0.00 N ATOM 195 CA ASP A 77 12.674 -3.217 -9.903 1.00 0.00 C ATOM 196 C ASP A 77 11.668 -2.219 -9.337 1.00 0.00 C ATOM 197 O ASP A 77 11.451 -1.149 -9.905 1.00 0.00 O ATOM 198 CB ASP A 77 12.446 -3.393 -11.405 1.00 0.00 C ATOM 199 CG ASP A 77 13.525 -4.232 -12.060 1.00 0.00 C ATOM 200 OD1 ASP A 77 14.681 -4.186 -11.589 1.00 0.00 O ATOM 201 OD2 ASP A 77 13.214 -4.936 -13.043 1.00 0.00 O ATOM 0 H ASP A 77 11.748 -5.049 -9.473 1.00 0.00 H new ATOM 0 HA ASP A 77 13.678 -2.826 -9.739 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.476 -3.861 -11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.412 -2.413 -11.882 1.00 0.00 H new ATOM 206 N VAL A 78 11.055 -2.578 -8.213 1.00 0.00 N ATOM 207 CA VAL A 78 10.072 -1.715 -7.569 1.00 0.00 C ATOM 208 C VAL A 78 10.693 -0.384 -7.160 1.00 0.00 C ATOM 209 O VAL A 78 11.471 -0.315 -6.208 1.00 0.00 O ATOM 210 CB VAL A 78 9.463 -2.388 -6.324 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.532 -2.622 -5.267 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.325 -1.547 -5.767 1.00 0.00 C ATOM 0 H VAL A 78 11.222 -3.461 -7.730 1.00 0.00 H new ATOM 0 HA VAL A 78 9.283 -1.536 -8.299 1.00 0.00 H new ATOM 0 HB VAL A 78 9.058 -3.357 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.083 -3.098 -4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.310 -3.268 -5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.969 -1.667 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.907 -2.037 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.702 -0.563 -5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.549 -1.437 -6.525 1.00 0.00 H new ATOM 222 N THR A 79 10.344 0.674 -7.887 1.00 0.00 N ATOM 223 CA THR A 79 10.867 2.003 -7.601 1.00 0.00 C ATOM 224 C THR A 79 9.742 2.978 -7.272 1.00 0.00 C ATOM 225 O THR A 79 8.567 2.676 -7.476 1.00 0.00 O ATOM 226 CB THR A 79 11.678 2.555 -8.789 1.00 0.00 C ATOM 227 OG1 THR A 79 12.311 3.786 -8.420 1.00 0.00 O ATOM 228 CG2 THR A 79 10.781 2.783 -9.997 1.00 0.00 C ATOM 0 H THR A 79 9.701 0.635 -8.678 1.00 0.00 H new ATOM 0 HA THR A 79 11.523 1.905 -6.736 1.00 0.00 H new ATOM 0 HB THR A 79 12.439 1.821 -9.054 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.826 4.130 -9.180 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.376 3.173 -10.823 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.323 1.839 -10.293 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.001 3.500 -9.741 1.00 0.00 H new ATOM 236 N ASN A 80 10.110 4.148 -6.761 1.00 0.00 N ATOM 237 CA ASN A 80 9.130 5.168 -6.403 1.00 0.00 C ATOM 238 C ASN A 80 8.219 5.485 -7.585 1.00 0.00 C ATOM 239 O ASN A 80 7.045 5.807 -7.406 1.00 0.00 O ATOM 240 CB ASN A 80 9.837 6.441 -5.934 1.00 0.00 C ATOM 241 CG ASN A 80 10.437 6.293 -4.549 1.00 0.00 C ATOM 242 OD1 ASN A 80 9.858 6.740 -3.559 1.00 0.00 O ATOM 243 ND2 ASN A 80 11.603 5.663 -4.474 1.00 0.00 N ATOM 0 H ASN A 80 11.079 4.414 -6.585 1.00 0.00 H new ATOM 0 HA ASN A 80 8.518 4.779 -5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.625 6.698 -6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.127 7.268 -5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.055 5.533 -3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.047 5.309 -5.321 1.00 0.00 H new ATOM 250 N GLN A 81 8.768 5.389 -8.791 1.00 0.00 N ATOM 251 CA GLN A 81 8.004 5.666 -10.002 1.00 0.00 C ATOM 252 C GLN A 81 6.880 4.650 -10.181 1.00 0.00 C ATOM 253 O GLN A 81 5.808 4.980 -10.686 1.00 0.00 O ATOM 254 CB GLN A 81 8.922 5.648 -11.225 1.00 0.00 C ATOM 255 CG GLN A 81 8.325 6.330 -12.445 1.00 0.00 C ATOM 256 CD GLN A 81 8.487 7.837 -12.409 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.515 8.372 -12.823 1.00 0.00 O ATOM 258 NE2 GLN A 81 7.469 8.530 -11.911 1.00 0.00 N ATOM 0 H GLN A 81 9.738 5.122 -8.956 1.00 0.00 H new ATOM 0 HA GLN A 81 7.561 6.657 -9.903 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.862 6.137 -10.970 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.158 4.614 -11.476 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.801 5.939 -13.344 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.265 6.084 -12.512 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.636 8.045 -11.579 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.521 9.547 -11.861 1.00 0.00 H new ATOM 267 N GLU A 82 7.135 3.414 -9.763 1.00 0.00 N ATOM 268 CA GLU A 82 6.144 2.350 -9.878 1.00 0.00 C ATOM 269 C GLU A 82 4.928 2.642 -9.003 1.00 0.00 C ATOM 270 O GLU A 82 3.786 2.496 -9.439 1.00 0.00 O ATOM 271 CB GLU A 82 6.758 1.006 -9.484 1.00 0.00 C ATOM 272 CG GLU A 82 5.936 -0.193 -9.929 1.00 0.00 C ATOM 273 CD GLU A 82 5.487 -0.088 -11.373 1.00 0.00 C ATOM 274 OE1 GLU A 82 6.266 -0.477 -12.267 1.00 0.00 O ATOM 275 OE2 GLU A 82 4.354 0.383 -11.609 1.00 0.00 O ATOM 0 H GLU A 82 8.018 3.125 -9.342 1.00 0.00 H new ATOM 0 HA GLU A 82 5.819 2.302 -10.917 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.756 0.932 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.876 0.973 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.525 -1.101 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.061 -0.288 -9.286 1.00 0.00 H new ATOM 282 N VAL A 83 5.182 3.056 -7.766 1.00 0.00 N ATOM 283 CA VAL A 83 4.110 3.369 -6.829 1.00 0.00 C ATOM 284 C VAL A 83 3.374 4.640 -7.241 1.00 0.00 C ATOM 285 O VAL A 83 2.147 4.712 -7.164 1.00 0.00 O ATOM 286 CB VAL A 83 4.649 3.543 -5.397 1.00 0.00 C ATOM 287 CG1 VAL A 83 5.147 2.214 -4.849 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.752 4.589 -5.366 1.00 0.00 C ATOM 0 H VAL A 83 6.121 3.182 -7.389 1.00 0.00 H new ATOM 0 HA VAL A 83 3.417 2.528 -6.849 1.00 0.00 H new ATOM 0 HB VAL A 83 3.835 3.889 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.524 2.356 -3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.327 1.497 -4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.948 1.835 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.121 4.699 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.569 4.275 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.358 5.544 -5.714 1.00 0.00 H new ATOM 298 N HIS A 84 4.132 5.640 -7.679 1.00 0.00 N ATOM 299 CA HIS A 84 3.551 6.909 -8.104 1.00 0.00 C ATOM 300 C HIS A 84 2.626 6.709 -9.301 1.00 0.00 C ATOM 301 O HIS A 84 1.501 7.208 -9.318 1.00 0.00 O ATOM 302 CB HIS A 84 4.656 7.906 -8.459 1.00 0.00 C ATOM 303 CG HIS A 84 5.103 8.742 -7.300 1.00 0.00 C ATOM 304 ND1 HIS A 84 4.632 10.016 -7.065 1.00 0.00 N ATOM 305 CD2 HIS A 84 5.983 8.478 -6.306 1.00 0.00 C ATOM 306 CE1 HIS A 84 5.205 10.501 -5.978 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.028 9.587 -5.497 1.00 0.00 N ATOM 0 H HIS A 84 5.149 5.597 -7.749 1.00 0.00 H new ATOM 0 HA HIS A 84 2.964 7.308 -7.276 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.513 7.361 -8.855 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.301 8.562 -9.254 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.545 7.565 -6.174 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.030 11.479 -5.555 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.603 9.688 -4.661 1.00 0.00 H new ATOM 316 N ASP A 85 3.109 5.978 -10.300 1.00 0.00 N ATOM 317 CA ASP A 85 2.325 5.712 -11.500 1.00 0.00 C ATOM 318 C ASP A 85 1.092 4.876 -11.171 1.00 0.00 C ATOM 319 O ASP A 85 0.043 5.022 -11.800 1.00 0.00 O ATOM 320 CB ASP A 85 3.180 4.992 -12.544 1.00 0.00 C ATOM 321 CG ASP A 85 2.627 5.141 -13.948 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.729 6.251 -14.511 1.00 0.00 O ATOM 323 OD2 ASP A 85 2.094 4.147 -14.484 1.00 0.00 O ATOM 0 H ASP A 85 4.039 5.559 -10.302 1.00 0.00 H new ATOM 0 HA ASP A 85 1.995 6.668 -11.907 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.195 5.387 -12.513 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.242 3.933 -12.291 1.00 0.00 H new ATOM 328 N LEU A 86 1.225 4.000 -10.181 1.00 0.00 N ATOM 329 CA LEU A 86 0.122 3.139 -9.768 1.00 0.00 C ATOM 330 C LEU A 86 -0.976 3.950 -9.087 1.00 0.00 C ATOM 331 O LEU A 86 -2.164 3.733 -9.329 1.00 0.00 O ATOM 332 CB LEU A 86 0.628 2.048 -8.822 1.00 0.00 C ATOM 333 CG LEU A 86 -0.430 1.084 -8.284 1.00 0.00 C ATOM 334 CD1 LEU A 86 -1.039 0.273 -9.417 1.00 0.00 C ATOM 335 CD2 LEU A 86 0.173 0.164 -7.232 1.00 0.00 C ATOM 0 H LEU A 86 2.085 3.867 -9.650 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.297 2.673 -10.660 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.389 1.467 -9.343 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.118 2.528 -7.975 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.222 1.669 -7.816 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.790 -0.407 -9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.507 0.946 -10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.257 -0.302 -9.914 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.594 -0.515 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.985 -0.413 -7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.561 0.760 -6.406 1.00 0.00 H new ATOM 347 N LEU A 87 -0.571 4.887 -8.237 1.00 0.00 N ATOM 348 CA LEU A 87 -1.520 5.733 -7.522 1.00 0.00 C ATOM 349 C LEU A 87 -1.410 7.184 -7.981 1.00 0.00 C ATOM 350 O LEU A 87 -1.549 8.110 -7.183 1.00 0.00 O ATOM 351 CB LEU A 87 -1.278 5.644 -6.014 1.00 0.00 C ATOM 352 CG LEU A 87 -1.958 4.480 -5.293 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.277 4.206 -3.961 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.438 4.771 -5.087 1.00 0.00 C ATOM 0 H LEU A 87 0.408 5.080 -8.026 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.526 5.376 -7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.204 5.574 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.614 6.575 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.866 3.590 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.775 3.374 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.231 3.953 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.337 5.094 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.906 3.932 -4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.551 5.674 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.918 4.917 -6.055 1.00 0.00 H new ATOM 366 N SER A 88 -1.162 7.372 -9.273 1.00 0.00 N ATOM 367 CA SER A 88 -1.031 8.710 -9.839 1.00 0.00 C ATOM 368 C SER A 88 -2.395 9.384 -9.958 1.00 0.00 C ATOM 369 O SER A 88 -2.567 10.536 -9.558 1.00 0.00 O ATOM 370 CB SER A 88 -0.361 8.643 -11.213 1.00 0.00 C ATOM 371 OG SER A 88 -1.071 7.779 -12.085 1.00 0.00 O ATOM 0 H SER A 88 -1.048 6.615 -9.948 1.00 0.00 H new ATOM 0 HA SER A 88 -0.409 9.302 -9.168 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.312 9.642 -11.646 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.665 8.292 -11.104 1.00 0.00 H new ATOM 0 HG SER A 88 -0.705 6.872 -12.016 1.00 0.00 H new ATOM 377 N ASP A 89 -3.360 8.659 -10.512 1.00 0.00 N ATOM 378 CA ASP A 89 -4.709 9.185 -10.684 1.00 0.00 C ATOM 379 C ASP A 89 -5.121 10.027 -9.480 1.00 0.00 C ATOM 380 O ASP A 89 -5.729 11.087 -9.631 1.00 0.00 O ATOM 381 CB ASP A 89 -5.704 8.041 -10.886 1.00 0.00 C ATOM 382 CG ASP A 89 -5.703 7.518 -12.309 1.00 0.00 C ATOM 383 OD1 ASP A 89 -4.675 7.679 -13.000 1.00 0.00 O ATOM 384 OD2 ASP A 89 -6.729 6.946 -12.731 1.00 0.00 O ATOM 0 H ASP A 89 -3.233 7.705 -10.850 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.714 9.821 -11.569 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.461 7.227 -10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.706 8.385 -10.629 1.00 0.00 H new ATOM 389 N TYR A 90 -4.788 9.548 -8.287 1.00 0.00 N ATOM 390 CA TYR A 90 -5.126 10.254 -7.058 1.00 0.00 C ATOM 391 C TYR A 90 -4.023 11.234 -6.671 1.00 0.00 C ATOM 392 O TYR A 90 -2.989 11.313 -7.333 1.00 0.00 O ATOM 393 CB TYR A 90 -5.361 9.258 -5.921 1.00 0.00 C ATOM 394 CG TYR A 90 -6.236 8.088 -6.312 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.687 6.945 -6.880 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.610 8.125 -6.111 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.482 5.874 -7.240 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.413 7.059 -6.466 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.844 5.936 -7.030 1.00 0.00 C ATOM 400 OH TYR A 90 -8.640 4.870 -7.386 1.00 0.00 O ATOM 0 H TYR A 90 -4.284 8.673 -8.145 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.042 10.818 -7.234 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.399 8.881 -5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.820 9.780 -5.081 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.621 6.893 -7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.058 9.003 -5.669 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.040 4.994 -7.683 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.480 7.104 -6.303 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.574 5.073 -7.171 1.00 0.00 H new ATOM 410 N GLU A 91 -4.252 11.978 -5.593 1.00 0.00 N ATOM 411 CA GLU A 91 -3.277 12.952 -5.117 1.00 0.00 C ATOM 412 C GLU A 91 -2.322 12.320 -4.109 1.00 0.00 C ATOM 413 O GLU A 91 -2.700 12.039 -2.970 1.00 0.00 O ATOM 414 CB GLU A 91 -3.988 14.149 -4.481 1.00 0.00 C ATOM 415 CG GLU A 91 -4.304 15.262 -5.466 1.00 0.00 C ATOM 416 CD GLU A 91 -3.175 16.266 -5.594 1.00 0.00 C ATOM 417 OE1 GLU A 91 -2.000 15.843 -5.575 1.00 0.00 O ATOM 418 OE2 GLU A 91 -3.467 17.474 -5.715 1.00 0.00 O ATOM 0 H GLU A 91 -5.103 11.925 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.697 13.295 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.916 13.808 -4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.364 14.549 -3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.512 14.828 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.210 15.778 -5.147 1.00 0.00 H new ATOM 425 N LEU A 92 -1.084 12.097 -4.535 1.00 0.00 N ATOM 426 CA LEU A 92 -0.074 11.496 -3.671 1.00 0.00 C ATOM 427 C LEU A 92 0.509 12.531 -2.714 1.00 0.00 C ATOM 428 O LEU A 92 1.426 13.272 -3.066 1.00 0.00 O ATOM 429 CB LEU A 92 1.044 10.878 -4.513 1.00 0.00 C ATOM 430 CG LEU A 92 0.689 9.592 -5.260 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.746 9.272 -6.305 1.00 0.00 C ATOM 432 CD2 LEU A 92 0.533 8.434 -4.284 1.00 0.00 C ATOM 0 H LEU A 92 -0.755 12.323 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.554 10.713 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.374 11.618 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.892 10.673 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.262 9.742 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.476 8.354 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.809 10.091 -7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.712 9.142 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.280 7.527 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.469 8.283 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.262 8.661 -3.574 1.00 0.00 H new ATOM 444 N LYS A 93 -0.030 12.575 -1.500 1.00 0.00 N ATOM 445 CA LYS A 93 0.438 13.516 -0.489 1.00 0.00 C ATOM 446 C LYS A 93 1.765 13.059 0.108 1.00 0.00 C ATOM 447 O LYS A 93 2.649 13.873 0.376 1.00 0.00 O ATOM 448 CB LYS A 93 -0.607 13.667 0.619 1.00 0.00 C ATOM 449 CG LYS A 93 -1.914 14.279 0.145 1.00 0.00 C ATOM 450 CD LYS A 93 -1.811 15.790 0.026 1.00 0.00 C ATOM 451 CE LYS A 93 -3.113 16.400 -0.469 1.00 0.00 C ATOM 452 NZ LYS A 93 -3.098 17.887 -0.381 1.00 0.00 N ATOM 0 H LYS A 93 -0.791 11.970 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 93 0.591 14.482 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.810 12.687 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.193 14.286 1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.186 13.855 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.711 14.021 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.554 16.216 0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.003 16.048 -0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.285 16.099 -1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.944 16.010 0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.003 18.264 -0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.959 18.175 0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.321 18.261 -0.963 1.00 0.00 H new ATOM 466 N TYR A 94 1.898 11.753 0.312 1.00 0.00 N ATOM 467 CA TYR A 94 3.117 11.188 0.878 1.00 0.00 C ATOM 468 C TYR A 94 3.502 9.897 0.163 1.00 0.00 C ATOM 469 O TYR A 94 2.664 9.020 -0.052 1.00 0.00 O ATOM 470 CB TYR A 94 2.935 10.922 2.373 1.00 0.00 C ATOM 471 CG TYR A 94 4.065 10.129 2.989 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.390 10.424 2.692 1.00 0.00 C ATOM 473 CD2 TYR A 94 3.809 9.083 3.867 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.426 9.702 3.251 1.00 0.00 C ATOM 475 CE2 TYR A 94 4.838 8.357 4.433 1.00 0.00 C ATOM 476 CZ TYR A 94 6.145 8.669 4.122 1.00 0.00 C ATOM 477 OH TYR A 94 7.173 7.947 4.682 1.00 0.00 O ATOM 0 H TYR A 94 1.176 11.066 0.094 1.00 0.00 H new ATOM 0 HA TYR A 94 3.920 11.912 0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.845 11.875 2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.999 10.384 2.527 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.614 11.232 2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.787 8.833 4.111 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.450 9.944 3.008 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.621 7.549 5.116 1.00 0.00 H new ATOM 0 HH TYR A 94 7.794 7.663 3.979 1.00 0.00 H new ATOM 487 N CYS A 95 4.775 9.787 -0.202 1.00 0.00 N ATOM 488 CA CYS A 95 5.272 8.603 -0.893 1.00 0.00 C ATOM 489 C CYS A 95 6.410 7.955 -0.111 1.00 0.00 C ATOM 490 O CYS A 95 7.372 8.621 0.273 1.00 0.00 O ATOM 491 CB CYS A 95 5.748 8.970 -2.299 1.00 0.00 C ATOM 492 SG CYS A 95 7.281 9.927 -2.333 1.00 0.00 S ATOM 0 H CYS A 95 5.481 10.503 -0.031 1.00 0.00 H new ATOM 0 HA CYS A 95 4.454 7.887 -0.970 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.891 8.054 -2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.965 9.540 -2.799 1.00 0.00 H new ATOM 0 HG CYS A 95 7.899 9.797 -1.197 1.00 0.00 H new ATOM 498 N PHE A 96 6.294 6.652 0.124 1.00 0.00 N ATOM 499 CA PHE A 96 7.312 5.914 0.863 1.00 0.00 C ATOM 500 C PHE A 96 7.518 4.525 0.265 1.00 0.00 C ATOM 501 O PHE A 96 6.584 3.728 0.181 1.00 0.00 O ATOM 502 CB PHE A 96 6.916 5.794 2.336 1.00 0.00 C ATOM 503 CG PHE A 96 8.007 5.240 3.206 1.00 0.00 C ATOM 504 CD1 PHE A 96 9.046 6.049 3.637 1.00 0.00 C ATOM 505 CD2 PHE A 96 7.994 3.910 3.594 1.00 0.00 C ATOM 506 CE1 PHE A 96 10.052 5.541 4.438 1.00 0.00 C ATOM 507 CE2 PHE A 96 8.997 3.396 4.395 1.00 0.00 C ATOM 508 CZ PHE A 96 10.026 4.213 4.818 1.00 0.00 C ATOM 0 H PHE A 96 5.505 6.085 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 96 8.250 6.465 0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.629 6.778 2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.037 5.154 2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.070 7.088 3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.191 3.267 3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.857 6.182 4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.975 2.357 4.689 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.810 3.815 5.445 1.00 0.00 H new ATOM 518 N VAL A 97 8.749 4.243 -0.150 1.00 0.00 N ATOM 519 CA VAL A 97 9.080 2.952 -0.740 1.00 0.00 C ATOM 520 C VAL A 97 10.211 2.272 0.024 1.00 0.00 C ATOM 521 O VAL A 97 11.328 2.788 0.089 1.00 0.00 O ATOM 522 CB VAL A 97 9.489 3.098 -2.218 1.00 0.00 C ATOM 523 CG1 VAL A 97 9.954 1.762 -2.778 1.00 0.00 C ATOM 524 CG2 VAL A 97 8.334 3.655 -3.036 1.00 0.00 C ATOM 0 H VAL A 97 9.534 4.892 -0.088 1.00 0.00 H new ATOM 0 HA VAL A 97 8.182 2.337 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 97 10.321 3.800 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.239 1.885 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.812 1.407 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.145 1.036 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.639 3.752 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.482 2.979 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.052 4.634 -2.648 1.00 0.00 H new ATOM 534 N ASP A 98 9.915 1.113 0.601 1.00 0.00 N ATOM 535 CA ASP A 98 10.908 0.361 1.360 1.00 0.00 C ATOM 536 C ASP A 98 11.185 -0.988 0.704 1.00 0.00 C ATOM 537 O ASP A 98 10.474 -1.965 0.943 1.00 0.00 O ATOM 538 CB ASP A 98 10.433 0.155 2.799 1.00 0.00 C ATOM 539 CG ASP A 98 11.403 -0.675 3.616 1.00 0.00 C ATOM 540 OD1 ASP A 98 12.520 -0.187 3.886 1.00 0.00 O ATOM 541 OD2 ASP A 98 11.045 -1.812 3.986 1.00 0.00 O ATOM 0 H ASP A 98 8.996 0.673 0.558 1.00 0.00 H new ATOM 0 HA ASP A 98 11.834 0.937 1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.298 1.126 3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.459 -0.334 2.790 1.00 0.00 H new ATOM 546 N LYS A 99 12.223 -1.036 -0.124 1.00 0.00 N ATOM 547 CA LYS A 99 12.596 -2.265 -0.815 1.00 0.00 C ATOM 548 C LYS A 99 13.091 -3.315 0.174 1.00 0.00 C ATOM 549 O LYS A 99 12.691 -4.478 0.111 1.00 0.00 O ATOM 550 CB LYS A 99 13.679 -1.979 -1.858 1.00 0.00 C ATOM 551 CG LYS A 99 14.973 -1.454 -1.262 1.00 0.00 C ATOM 552 CD LYS A 99 15.846 -0.794 -2.318 1.00 0.00 C ATOM 553 CE LYS A 99 16.470 -1.824 -3.247 1.00 0.00 C ATOM 554 NZ LYS A 99 15.603 -2.106 -4.425 1.00 0.00 N ATOM 0 H LYS A 99 12.822 -0.237 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 99 11.711 -2.654 -1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.889 -2.894 -2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.298 -1.252 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.747 -0.735 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.520 -2.274 -0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.248 -0.092 -2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.633 -0.216 -1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.441 -1.464 -3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.648 -2.748 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.431 -3.130 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.696 -1.609 -4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.076 -1.776 -5.291 1.00 0.00 H new ATOM 568 N TYR A 100 13.963 -2.899 1.085 1.00 0.00 N ATOM 569 CA TYR A 100 14.513 -3.805 2.087 1.00 0.00 C ATOM 570 C TYR A 100 13.479 -4.844 2.508 1.00 0.00 C ATOM 571 O TYR A 100 13.626 -6.034 2.227 1.00 0.00 O ATOM 572 CB TYR A 100 14.990 -3.019 3.309 1.00 0.00 C ATOM 573 CG TYR A 100 15.786 -1.782 2.960 1.00 0.00 C ATOM 574 CD1 TYR A 100 16.807 -1.831 2.019 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.518 -0.563 3.572 1.00 0.00 C ATOM 576 CE1 TYR A 100 17.538 -0.703 1.698 1.00 0.00 C ATOM 577 CE2 TYR A 100 16.242 0.570 3.256 1.00 0.00 C ATOM 578 CZ TYR A 100 17.251 0.495 2.318 1.00 0.00 C ATOM 579 OH TYR A 100 17.975 1.621 2.002 1.00 0.00 O ATOM 0 H TYR A 100 14.305 -1.940 1.151 1.00 0.00 H new ATOM 0 HA TYR A 100 15.363 -4.324 1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.124 -2.728 3.904 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.602 -3.670 3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 100 17.033 -2.767 1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.730 -0.501 4.308 1.00 0.00 H new ATOM 0 HE1 TYR A 100 18.330 -0.759 0.966 1.00 0.00 H new ATOM 0 HE2 TYR A 100 16.020 1.509 3.740 1.00 0.00 H new ATOM 0 HH TYR A 100 17.645 2.380 2.527 1.00 0.00 H new ATOM 589 N LYS A 101 12.431 -4.386 3.184 1.00 0.00 N ATOM 590 CA LYS A 101 11.369 -5.273 3.645 1.00 0.00 C ATOM 591 C LYS A 101 10.584 -5.839 2.466 1.00 0.00 C ATOM 592 O LYS A 101 10.125 -6.980 2.504 1.00 0.00 O ATOM 593 CB LYS A 101 10.425 -4.524 4.588 1.00 0.00 C ATOM 594 CG LYS A 101 11.125 -3.902 5.783 1.00 0.00 C ATOM 595 CD LYS A 101 11.259 -4.892 6.928 1.00 0.00 C ATOM 596 CE LYS A 101 9.934 -5.097 7.645 1.00 0.00 C ATOM 597 NZ LYS A 101 9.877 -6.412 8.342 1.00 0.00 N ATOM 0 H LYS A 101 12.294 -3.404 3.425 1.00 0.00 H new ATOM 0 HA LYS A 101 11.829 -6.101 4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.913 -3.740 4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.659 -5.213 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.114 -3.552 5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.566 -3.029 6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.618 -5.847 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.005 -4.532 7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.785 -4.296 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.118 -5.032 6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.958 -6.513 8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.993 -7.178 7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.640 -6.465 9.047 1.00 0.00 H new ATOM 611 N GLY A 102 10.435 -5.034 1.418 1.00 0.00 N ATOM 612 CA GLY A 102 9.706 -5.474 0.243 1.00 0.00 C ATOM 613 C GLY A 102 8.278 -4.965 0.222 1.00 0.00 C ATOM 614 O GLY A 102 7.388 -5.613 -0.330 1.00 0.00 O ATOM 0 H GLY A 102 10.806 -4.086 1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.224 -5.130 -0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.701 -6.563 0.209 1.00 0.00 H new ATOM 618 N THR A 103 8.057 -3.802 0.827 1.00 0.00 N ATOM 619 CA THR A 103 6.727 -3.209 0.878 1.00 0.00 C ATOM 620 C THR A 103 6.784 -1.708 0.617 1.00 0.00 C ATOM 621 O THR A 103 7.861 -1.113 0.596 1.00 0.00 O ATOM 622 CB THR A 103 6.054 -3.456 2.242 1.00 0.00 C ATOM 623 OG1 THR A 103 6.750 -2.741 3.268 1.00 0.00 O ATOM 624 CG2 THR A 103 6.035 -4.940 2.574 1.00 0.00 C ATOM 0 H THR A 103 8.782 -3.253 1.288 1.00 0.00 H new ATOM 0 HA THR A 103 6.137 -3.689 0.097 1.00 0.00 H new ATOM 0 HB THR A 103 5.026 -3.099 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.151 -2.075 3.666 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.555 -5.090 3.541 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.479 -5.478 1.806 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.057 -5.317 2.613 1.00 0.00 H new ATOM 632 N ALA A 104 5.618 -1.102 0.420 1.00 0.00 N ATOM 633 CA ALA A 104 5.536 0.331 0.163 1.00 0.00 C ATOM 634 C ALA A 104 4.340 0.949 0.880 1.00 0.00 C ATOM 635 O ALA A 104 3.238 0.402 0.856 1.00 0.00 O ATOM 636 CB ALA A 104 5.451 0.595 -1.333 1.00 0.00 C ATOM 0 H ALA A 104 4.717 -1.581 0.433 1.00 0.00 H new ATOM 0 HA ALA A 104 6.441 0.798 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.390 1.669 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.339 0.196 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.563 0.110 -1.738 1.00 0.00 H new ATOM 642 N PHE A 105 4.566 2.093 1.518 1.00 0.00 N ATOM 643 CA PHE A 105 3.508 2.785 2.244 1.00 0.00 C ATOM 644 C PHE A 105 3.207 4.138 1.607 1.00 0.00 C ATOM 645 O PHE A 105 4.102 4.963 1.423 1.00 0.00 O ATOM 646 CB PHE A 105 3.905 2.975 3.710 1.00 0.00 C ATOM 647 CG PHE A 105 4.068 1.684 4.459 1.00 0.00 C ATOM 648 CD1 PHE A 105 2.974 1.064 5.042 1.00 0.00 C ATOM 649 CD2 PHE A 105 5.313 1.090 4.580 1.00 0.00 C ATOM 650 CE1 PHE A 105 3.121 -0.124 5.733 1.00 0.00 C ATOM 651 CE2 PHE A 105 5.467 -0.099 5.270 1.00 0.00 C ATOM 652 CZ PHE A 105 4.369 -0.707 5.846 1.00 0.00 C ATOM 0 H PHE A 105 5.472 2.560 1.547 1.00 0.00 H new ATOM 0 HA PHE A 105 2.608 2.172 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.840 3.533 3.755 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.148 3.581 4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.996 1.514 4.955 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.175 1.561 4.130 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.261 -0.596 6.184 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.444 -0.551 5.358 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.485 -1.636 6.384 1.00 0.00 H new ATOM 662 N VAL A 106 1.940 4.360 1.272 1.00 0.00 N ATOM 663 CA VAL A 106 1.519 5.612 0.656 1.00 0.00 C ATOM 664 C VAL A 106 0.283 6.177 1.348 1.00 0.00 C ATOM 665 O VAL A 106 -0.625 5.436 1.726 1.00 0.00 O ATOM 666 CB VAL A 106 1.216 5.427 -0.842 1.00 0.00 C ATOM 667 CG1 VAL A 106 0.796 6.747 -1.470 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.423 4.845 -1.562 1.00 0.00 C ATOM 0 H VAL A 106 1.187 3.688 1.417 1.00 0.00 H new ATOM 0 HA VAL A 106 2.346 6.313 0.767 1.00 0.00 H new ATOM 0 HB VAL A 106 0.388 4.725 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.586 6.596 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.100 7.118 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.600 7.475 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.191 4.721 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.272 5.520 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.672 3.876 -1.129 1.00 0.00 H new ATOM 678 N THR A 107 0.254 7.496 1.511 1.00 0.00 N ATOM 679 CA THR A 107 -0.870 8.162 2.158 1.00 0.00 C ATOM 680 C THR A 107 -1.662 8.998 1.160 1.00 0.00 C ATOM 681 O THR A 107 -1.148 9.968 0.600 1.00 0.00 O ATOM 682 CB THR A 107 -0.398 9.068 3.310 1.00 0.00 C ATOM 683 OG1 THR A 107 0.578 8.384 4.104 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.571 9.484 4.186 1.00 0.00 C ATOM 0 H THR A 107 0.996 8.124 1.204 1.00 0.00 H new ATOM 0 HA THR A 107 -1.512 7.379 2.561 1.00 0.00 H new ATOM 0 HB THR A 107 0.049 9.964 2.879 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.874 8.968 4.833 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.214 10.123 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.298 10.030 3.585 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.043 8.597 4.608 1.00 0.00 H new ATOM 692 N LEU A 108 -2.916 8.619 0.940 1.00 0.00 N ATOM 693 CA LEU A 108 -3.780 9.335 0.009 1.00 0.00 C ATOM 694 C LEU A 108 -4.434 10.535 0.686 1.00 0.00 C ATOM 695 O LEU A 108 -4.229 10.778 1.876 1.00 0.00 O ATOM 696 CB LEU A 108 -4.856 8.398 -0.543 1.00 0.00 C ATOM 697 CG LEU A 108 -4.470 7.589 -1.782 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.508 6.514 -2.063 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.308 8.505 -2.987 1.00 0.00 C ATOM 0 H LEU A 108 -3.357 7.819 1.394 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.164 9.696 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.143 7.702 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.739 8.991 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.515 7.100 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.216 5.949 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.575 5.841 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.478 6.981 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.033 7.913 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.248 9.022 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.526 9.237 -2.785 1.00 0.00 H new ATOM 711 N LEU A 109 -5.224 11.281 -0.078 1.00 0.00 N ATOM 712 CA LEU A 109 -5.911 12.455 0.449 1.00 0.00 C ATOM 713 C LEU A 109 -7.083 12.048 1.337 1.00 0.00 C ATOM 714 O LEU A 109 -7.096 12.334 2.533 1.00 0.00 O ATOM 715 CB LEU A 109 -6.408 13.337 -0.698 1.00 0.00 C ATOM 716 CG LEU A 109 -7.479 14.368 -0.337 1.00 0.00 C ATOM 717 CD1 LEU A 109 -6.913 15.417 0.607 1.00 0.00 C ATOM 718 CD2 LEU A 109 -8.034 15.022 -1.594 1.00 0.00 C ATOM 0 H LEU A 109 -5.405 11.094 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.201 13.020 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.553 13.864 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.804 12.691 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.295 13.854 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.689 16.142 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.565 14.935 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.079 15.928 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.795 15.753 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.228 15.522 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.478 14.260 -2.235 1.00 0.00 H new ATOM 730 N ASN A 110 -8.064 11.377 0.742 1.00 0.00 N ATOM 731 CA ASN A 110 -9.240 10.929 1.480 1.00 0.00 C ATOM 732 C ASN A 110 -9.187 9.424 1.725 1.00 0.00 C ATOM 733 O ASN A 110 -8.279 8.739 1.254 1.00 0.00 O ATOM 734 CB ASN A 110 -10.515 11.289 0.715 1.00 0.00 C ATOM 735 CG ASN A 110 -10.620 12.775 0.432 1.00 0.00 C ATOM 736 OD1 ASN A 110 -10.202 13.603 1.241 1.00 0.00 O ATOM 737 ND2 ASN A 110 -11.179 13.118 -0.722 1.00 0.00 N ATOM 0 H ASN A 110 -8.068 11.132 -0.248 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.248 11.436 2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -10.538 10.740 -0.227 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -11.383 10.969 1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.276 14.103 -0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.511 12.397 -1.362 1.00 0.00 H new ATOM 744 N GLY A 111 -10.168 8.915 2.464 1.00 0.00 N ATOM 745 CA GLY A 111 -10.215 7.495 2.758 1.00 0.00 C ATOM 746 C GLY A 111 -10.812 6.687 1.623 1.00 0.00 C ATOM 747 O GLY A 111 -10.462 5.524 1.430 1.00 0.00 O ATOM 0 H GLY A 111 -10.931 9.461 2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.207 7.136 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.802 7.334 3.662 1.00 0.00 H new ATOM 751 N GLU A 112 -11.718 7.306 0.871 1.00 0.00 N ATOM 752 CA GLU A 112 -12.366 6.635 -0.250 1.00 0.00 C ATOM 753 C GLU A 112 -11.338 6.187 -1.284 1.00 0.00 C ATOM 754 O GLU A 112 -11.420 5.080 -1.816 1.00 0.00 O ATOM 755 CB GLU A 112 -13.393 7.562 -0.903 1.00 0.00 C ATOM 756 CG GLU A 112 -14.484 8.027 0.046 1.00 0.00 C ATOM 757 CD GLU A 112 -15.658 8.657 -0.678 1.00 0.00 C ATOM 758 OE1 GLU A 112 -16.546 7.905 -1.133 1.00 0.00 O ATOM 759 OE2 GLU A 112 -15.690 9.900 -0.791 1.00 0.00 O ATOM 0 H GLU A 112 -12.019 8.269 1.018 1.00 0.00 H new ATOM 0 HA GLU A 112 -12.877 5.752 0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.878 8.434 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.852 7.045 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.837 7.178 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.066 8.748 0.749 1.00 0.00 H new ATOM 766 N GLN A 113 -10.372 7.055 -1.564 1.00 0.00 N ATOM 767 CA GLN A 113 -9.329 6.749 -2.536 1.00 0.00 C ATOM 768 C GLN A 113 -8.523 5.529 -2.104 1.00 0.00 C ATOM 769 O GLN A 113 -8.139 4.702 -2.930 1.00 0.00 O ATOM 770 CB GLN A 113 -8.400 7.952 -2.714 1.00 0.00 C ATOM 771 CG GLN A 113 -9.117 9.212 -3.171 1.00 0.00 C ATOM 772 CD GLN A 113 -8.242 10.446 -3.081 1.00 0.00 C ATOM 773 OE1 GLN A 113 -7.661 10.735 -2.034 1.00 0.00 O ATOM 774 NE2 GLN A 113 -8.142 11.183 -4.181 1.00 0.00 N ATOM 0 H GLN A 113 -10.290 7.975 -1.132 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.809 6.525 -3.489 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.895 8.154 -1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.628 7.700 -3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.451 9.082 -4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.009 9.359 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -8.641 10.907 -5.027 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.567 12.025 -4.180 1.00 0.00 H new ATOM 783 N ALA A 114 -8.270 5.424 -0.803 1.00 0.00 N ATOM 784 CA ALA A 114 -7.511 4.303 -0.261 1.00 0.00 C ATOM 785 C ALA A 114 -8.239 2.984 -0.492 1.00 0.00 C ATOM 786 O ALA A 114 -7.640 2.003 -0.932 1.00 0.00 O ATOM 787 CB ALA A 114 -7.250 4.512 1.223 1.00 0.00 C ATOM 0 H ALA A 114 -8.579 6.101 -0.106 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.556 4.256 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.683 3.668 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.680 5.430 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.200 4.588 1.752 1.00 0.00 H new ATOM 793 N GLU A 115 -9.534 2.967 -0.191 1.00 0.00 N ATOM 794 CA GLU A 115 -10.343 1.766 -0.364 1.00 0.00 C ATOM 795 C GLU A 115 -10.389 1.349 -1.832 1.00 0.00 C ATOM 796 O GLU A 115 -10.224 0.175 -2.159 1.00 0.00 O ATOM 797 CB GLU A 115 -11.762 2.001 0.156 1.00 0.00 C ATOM 798 CG GLU A 115 -12.750 0.926 -0.264 1.00 0.00 C ATOM 799 CD GLU A 115 -13.867 0.734 0.743 1.00 0.00 C ATOM 800 OE1 GLU A 115 -13.595 0.188 1.833 1.00 0.00 O ATOM 801 OE2 GLU A 115 -15.013 1.129 0.442 1.00 0.00 O ATOM 0 H GLU A 115 -10.045 3.771 0.174 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.883 0.962 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.737 2.054 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.116 2.968 -0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.179 1.190 -1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.220 -0.017 -0.397 1.00 0.00 H new ATOM 808 N ALA A 116 -10.616 2.321 -2.710 1.00 0.00 N ATOM 809 CA ALA A 116 -10.683 2.056 -4.142 1.00 0.00 C ATOM 810 C ALA A 116 -9.364 1.491 -4.658 1.00 0.00 C ATOM 811 O ALA A 116 -9.347 0.531 -5.427 1.00 0.00 O ATOM 812 CB ALA A 116 -11.048 3.325 -4.897 1.00 0.00 C ATOM 0 H ALA A 116 -10.757 3.298 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.459 1.310 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -11.094 3.112 -5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -12.019 3.685 -4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.293 4.089 -4.712 1.00 0.00 H new ATOM 818 N ALA A 117 -8.259 2.095 -4.230 1.00 0.00 N ATOM 819 CA ALA A 117 -6.935 1.651 -4.648 1.00 0.00 C ATOM 820 C ALA A 117 -6.635 0.250 -4.126 1.00 0.00 C ATOM 821 O ALA A 117 -6.116 -0.596 -4.854 1.00 0.00 O ATOM 822 CB ALA A 117 -5.875 2.633 -4.172 1.00 0.00 C ATOM 0 H ALA A 117 -8.255 2.893 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.918 1.615 -5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.891 2.289 -4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.072 3.616 -4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.902 2.698 -3.084 1.00 0.00 H new ATOM 828 N ILE A 118 -6.965 0.013 -2.860 1.00 0.00 N ATOM 829 CA ILE A 118 -6.730 -1.286 -2.241 1.00 0.00 C ATOM 830 C ILE A 118 -7.627 -2.356 -2.853 1.00 0.00 C ATOM 831 O ILE A 118 -7.193 -3.482 -3.091 1.00 0.00 O ATOM 832 CB ILE A 118 -6.972 -1.237 -0.721 1.00 0.00 C ATOM 833 CG1 ILE A 118 -5.942 -0.327 -0.048 1.00 0.00 C ATOM 834 CG2 ILE A 118 -6.916 -2.638 -0.131 1.00 0.00 C ATOM 835 CD1 ILE A 118 -6.311 0.060 1.367 1.00 0.00 C ATOM 0 H ILE A 118 -7.395 0.703 -2.244 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.686 -1.540 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.965 -0.827 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.976 -0.831 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.824 0.578 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.089 -2.587 0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.684 -3.258 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.935 -3.074 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.536 0.705 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.262 0.592 1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.401 -0.838 1.978 1.00 0.00 H new ATOM 847 N ASN A 119 -8.881 -1.996 -3.107 1.00 0.00 N ATOM 848 CA ASN A 119 -9.840 -2.925 -3.693 1.00 0.00 C ATOM 849 C ASN A 119 -9.330 -3.464 -5.026 1.00 0.00 C ATOM 850 O ASN A 119 -9.398 -4.665 -5.291 1.00 0.00 O ATOM 851 CB ASN A 119 -11.192 -2.237 -3.892 1.00 0.00 C ATOM 852 CG ASN A 119 -12.354 -3.206 -3.789 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.196 -4.408 -4.006 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.530 -2.686 -3.456 1.00 0.00 N ATOM 0 H ASN A 119 -9.257 -1.067 -2.916 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.964 -3.762 -3.006 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.310 -1.451 -3.146 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.211 -1.754 -4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.348 -3.289 -3.371 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.615 -1.684 -3.285 1.00 0.00 H new ATOM 861 N THR A 120 -8.818 -2.568 -5.864 1.00 0.00 N ATOM 862 CA THR A 120 -8.297 -2.952 -7.170 1.00 0.00 C ATOM 863 C THR A 120 -6.915 -3.583 -7.046 1.00 0.00 C ATOM 864 O THR A 120 -6.656 -4.650 -7.604 1.00 0.00 O ATOM 865 CB THR A 120 -8.214 -1.743 -8.120 1.00 0.00 C ATOM 866 OG1 THR A 120 -9.469 -1.055 -8.148 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.840 -2.184 -9.527 1.00 0.00 C ATOM 0 H THR A 120 -8.753 -1.570 -5.661 1.00 0.00 H new ATOM 0 HA THR A 120 -8.991 -3.683 -7.585 1.00 0.00 H new ATOM 0 HB THR A 120 -7.440 -1.071 -7.750 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.570 -0.524 -7.330 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.788 -1.313 -10.180 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.870 -2.681 -9.507 1.00 0.00 H new ATOM 0 HG23 THR A 120 -8.594 -2.875 -9.904 1.00 0.00 H new ATOM 875 N PHE A 121 -6.029 -2.918 -6.312 1.00 0.00 N ATOM 876 CA PHE A 121 -4.672 -3.414 -6.115 1.00 0.00 C ATOM 877 C PHE A 121 -4.682 -4.740 -5.361 1.00 0.00 C ATOM 878 O PHE A 121 -3.741 -5.529 -5.457 1.00 0.00 O ATOM 879 CB PHE A 121 -3.837 -2.385 -5.350 1.00 0.00 C ATOM 880 CG PHE A 121 -3.804 -1.034 -6.004 1.00 0.00 C ATOM 881 CD1 PHE A 121 -4.085 -0.896 -7.354 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.492 0.099 -5.270 1.00 0.00 C ATOM 883 CE1 PHE A 121 -4.055 0.347 -7.958 1.00 0.00 C ATOM 884 CE2 PHE A 121 -3.460 1.344 -5.869 1.00 0.00 C ATOM 885 CZ PHE A 121 -3.743 1.468 -7.215 1.00 0.00 C ATOM 0 H PHE A 121 -6.227 -2.034 -5.844 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.225 -3.578 -7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.237 -2.282 -4.341 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.817 -2.757 -5.252 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.330 -1.769 -7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.271 0.008 -4.217 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.276 0.441 -9.011 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.214 2.219 -5.285 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.720 2.440 -7.685 1.00 0.00 H new ATOM 895 N HIS A 122 -5.752 -4.979 -4.610 1.00 0.00 N ATOM 896 CA HIS A 122 -5.886 -6.210 -3.839 1.00 0.00 C ATOM 897 C HIS A 122 -6.129 -7.404 -4.758 1.00 0.00 C ATOM 898 O HIS A 122 -6.417 -7.237 -5.942 1.00 0.00 O ATOM 899 CB HIS A 122 -7.030 -6.085 -2.833 1.00 0.00 C ATOM 900 CG HIS A 122 -7.434 -7.390 -2.219 1.00 0.00 C ATOM 901 ND1 HIS A 122 -8.619 -8.028 -2.519 1.00 0.00 N ATOM 902 CD2 HIS A 122 -6.801 -8.179 -1.320 1.00 0.00 C ATOM 903 CE1 HIS A 122 -8.699 -9.152 -1.829 1.00 0.00 C ATOM 904 NE2 HIS A 122 -7.608 -9.267 -1.093 1.00 0.00 N ATOM 0 H HIS A 122 -6.539 -4.337 -4.519 1.00 0.00 H new ATOM 0 HA HIS A 122 -4.954 -6.374 -3.299 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -6.733 -5.397 -2.041 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.894 -5.644 -3.331 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -5.840 -7.989 -0.866 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -9.517 -9.857 -1.861 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -7.399 -10.038 -0.459 1.00 0.00 H new ATOM 913 N GLN A 123 -6.009 -8.605 -4.203 1.00 0.00 N ATOM 914 CA GLN A 123 -6.214 -9.826 -4.974 1.00 0.00 C ATOM 915 C GLN A 123 -5.532 -9.732 -6.334 1.00 0.00 C ATOM 916 O GLN A 123 -5.938 -10.391 -7.291 1.00 0.00 O ATOM 917 CB GLN A 123 -7.709 -10.093 -5.158 1.00 0.00 C ATOM 918 CG GLN A 123 -8.504 -8.857 -5.550 1.00 0.00 C ATOM 919 CD GLN A 123 -9.988 -9.137 -5.685 1.00 0.00 C ATOM 920 OE1 GLN A 123 -10.770 -8.851 -4.778 1.00 0.00 O ATOM 921 NE2 GLN A 123 -10.384 -9.698 -6.821 1.00 0.00 N ATOM 0 H GLN A 123 -5.771 -8.759 -3.223 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.769 -10.653 -4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.842 -10.858 -5.923 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.114 -10.497 -4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.351 -8.079 -4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.124 -8.469 -6.495 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.701 -9.918 -7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.371 -9.909 -6.969 1.00 0.00 H new ATOM 930 N SER A 124 -4.492 -8.907 -6.413 1.00 0.00 N ATOM 931 CA SER A 124 -3.755 -8.724 -7.658 1.00 0.00 C ATOM 932 C SER A 124 -2.525 -9.626 -7.700 1.00 0.00 C ATOM 933 O SER A 124 -2.152 -10.232 -6.695 1.00 0.00 O ATOM 934 CB SER A 124 -3.334 -7.261 -7.815 1.00 0.00 C ATOM 935 OG SER A 124 -2.326 -6.918 -6.880 1.00 0.00 O ATOM 0 H SER A 124 -4.141 -8.355 -5.630 1.00 0.00 H new ATOM 0 HA SER A 124 -4.412 -8.997 -8.484 1.00 0.00 H new ATOM 0 HB2 SER A 124 -2.968 -7.091 -8.828 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.199 -6.613 -7.676 1.00 0.00 H new ATOM 0 HG SER A 124 -2.741 -6.663 -6.030 1.00 0.00 H new ATOM 941 N ARG A 125 -1.900 -9.710 -8.869 1.00 0.00 N ATOM 942 CA ARG A 125 -0.713 -10.539 -9.044 1.00 0.00 C ATOM 943 C ARG A 125 0.326 -9.826 -9.903 1.00 0.00 C ATOM 944 O ARG A 125 -0.012 -8.982 -10.734 1.00 0.00 O ATOM 945 CB ARG A 125 -1.089 -11.877 -9.684 1.00 0.00 C ATOM 946 CG ARG A 125 -1.646 -12.889 -8.697 1.00 0.00 C ATOM 947 CD ARG A 125 -1.602 -14.301 -9.261 1.00 0.00 C ATOM 948 NE ARG A 125 -1.609 -15.312 -8.208 1.00 0.00 N ATOM 949 CZ ARG A 125 -1.769 -16.611 -8.437 1.00 0.00 C ATOM 950 NH1 ARG A 125 -1.932 -17.053 -9.676 1.00 0.00 N ATOM 951 NH2 ARG A 125 -1.764 -17.470 -7.426 1.00 0.00 N ATOM 0 H ARG A 125 -2.196 -9.214 -9.710 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.281 -10.723 -8.060 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.827 -11.701 -10.466 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.208 -12.300 -10.166 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.073 -12.848 -7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.674 -12.628 -8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.458 -14.456 -9.918 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.707 -14.420 -9.871 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.484 -15.004 -7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.935 -16.396 -10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.055 -18.051 -9.850 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -1.637 -17.133 -6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.887 -18.467 -7.603 1.00 0.00 H new ATOM 965 N LEU A 126 1.593 -10.170 -9.697 1.00 0.00 N ATOM 966 CA LEU A 126 2.683 -9.563 -10.452 1.00 0.00 C ATOM 967 C LEU A 126 3.824 -10.554 -10.654 1.00 0.00 C ATOM 968 O LEU A 126 4.254 -11.222 -9.712 1.00 0.00 O ATOM 969 CB LEU A 126 3.197 -8.316 -9.730 1.00 0.00 C ATOM 970 CG LEU A 126 4.432 -7.649 -10.338 1.00 0.00 C ATOM 971 CD1 LEU A 126 4.133 -7.155 -11.745 1.00 0.00 C ATOM 972 CD2 LEU A 126 4.907 -6.503 -9.458 1.00 0.00 C ATOM 0 H LEU A 126 1.890 -10.866 -9.013 1.00 0.00 H new ATOM 0 HA LEU A 126 2.298 -9.276 -11.431 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.392 -7.582 -9.697 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.425 -8.586 -8.699 1.00 0.00 H new ATOM 0 HG LEU A 126 5.230 -8.390 -10.397 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.023 -6.683 -12.162 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.841 -7.997 -12.372 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.320 -6.430 -11.711 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.786 -6.040 -9.906 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.113 -5.761 -9.367 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.162 -6.885 -8.469 1.00 0.00 H new ATOM 984 N ARG A 127 4.313 -10.644 -11.887 1.00 0.00 N ATOM 985 CA ARG A 127 5.405 -11.553 -12.212 1.00 0.00 C ATOM 986 C ARG A 127 5.130 -12.951 -11.663 1.00 0.00 C ATOM 987 O ARG A 127 6.021 -13.597 -11.113 1.00 0.00 O ATOM 988 CB ARG A 127 6.724 -11.023 -11.647 1.00 0.00 C ATOM 989 CG ARG A 127 7.276 -9.829 -12.410 1.00 0.00 C ATOM 990 CD ARG A 127 8.759 -9.633 -12.138 1.00 0.00 C ATOM 991 NE ARG A 127 9.569 -10.698 -12.723 1.00 0.00 N ATOM 992 CZ ARG A 127 10.853 -10.559 -13.033 1.00 0.00 C ATOM 993 NH1 ARG A 127 11.471 -9.407 -12.814 1.00 0.00 N ATOM 994 NH2 ARG A 127 11.523 -11.575 -13.563 1.00 0.00 N ATOM 0 H ARG A 127 3.970 -10.098 -12.677 1.00 0.00 H new ATOM 0 HA ARG A 127 5.481 -11.615 -13.298 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.576 -10.741 -10.605 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.463 -11.824 -11.659 1.00 0.00 H new ATOM 0 HG2 ARG A 127 7.117 -9.973 -13.479 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.730 -8.929 -12.125 1.00 0.00 H new ATOM 0 HD2 ARG A 127 9.078 -8.672 -12.542 1.00 0.00 H new ATOM 0 HD3 ARG A 127 8.929 -9.598 -11.062 1.00 0.00 H new ATOM 0 HE ARG A 127 9.124 -11.598 -12.903 1.00 0.00 H new ATOM 0 HH11 ARG A 127 10.960 -8.624 -12.406 1.00 0.00 H new ATOM 0 HH12 ARG A 127 12.457 -9.304 -13.053 1.00 0.00 H new ATOM 0 HH21 ARG A 127 11.052 -12.464 -13.733 1.00 0.00 H new ATOM 0 HH22 ARG A 127 12.509 -11.467 -13.801 1.00 0.00 H new ATOM 1008 N GLU A 128 3.892 -13.409 -11.817 1.00 0.00 N ATOM 1009 CA GLU A 128 3.501 -14.728 -11.336 1.00 0.00 C ATOM 1010 C GLU A 128 3.728 -14.848 -9.832 1.00 0.00 C ATOM 1011 O GLU A 128 4.269 -15.845 -9.353 1.00 0.00 O ATOM 1012 CB GLU A 128 4.287 -15.817 -12.070 1.00 0.00 C ATOM 1013 CG GLU A 128 4.425 -15.566 -13.562 1.00 0.00 C ATOM 1014 CD GLU A 128 5.666 -14.766 -13.907 1.00 0.00 C ATOM 1015 OE1 GLU A 128 6.783 -15.298 -13.734 1.00 0.00 O ATOM 1016 OE2 GLU A 128 5.520 -13.607 -14.350 1.00 0.00 O ATOM 0 H GLU A 128 3.143 -12.886 -12.271 1.00 0.00 H new ATOM 0 HA GLU A 128 2.438 -14.859 -11.537 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.281 -15.895 -11.630 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.793 -16.776 -11.915 1.00 0.00 H new ATOM 0 HG2 GLU A 128 4.456 -16.521 -14.086 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.543 -15.034 -13.920 1.00 0.00 H new ATOM 1023 N ARG A 129 3.310 -13.826 -9.093 1.00 0.00 N ATOM 1024 CA ARG A 129 3.469 -13.815 -7.644 1.00 0.00 C ATOM 1025 C ARG A 129 2.219 -13.262 -6.964 1.00 0.00 C ATOM 1026 O ARG A 129 1.558 -12.370 -7.493 1.00 0.00 O ATOM 1027 CB ARG A 129 4.689 -12.981 -7.250 1.00 0.00 C ATOM 1028 CG ARG A 129 4.369 -11.516 -7.000 1.00 0.00 C ATOM 1029 CD ARG A 129 4.015 -11.263 -5.543 1.00 0.00 C ATOM 1030 NE ARG A 129 5.202 -11.195 -4.695 1.00 0.00 N ATOM 1031 CZ ARG A 129 6.122 -10.241 -4.793 1.00 0.00 C ATOM 1032 NH1 ARG A 129 5.991 -9.280 -5.697 1.00 0.00 N ATOM 1033 NH2 ARG A 129 7.174 -10.248 -3.985 1.00 0.00 N ATOM 0 H ARG A 129 2.858 -12.995 -9.474 1.00 0.00 H new ATOM 0 HA ARG A 129 3.618 -14.842 -7.312 1.00 0.00 H new ATOM 0 HB2 ARG A 129 5.134 -13.406 -6.350 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.437 -13.051 -8.039 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.226 -10.903 -7.279 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.538 -11.211 -7.636 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.458 -10.330 -5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.360 -12.057 -5.186 1.00 0.00 H new ATOM 0 HE ARG A 129 5.332 -11.919 -3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 129 5.183 -9.272 -6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 129 6.698 -8.549 -5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 129 7.277 -10.986 -3.288 1.00 0.00 H new ATOM 0 HH22 ARG A 129 7.880 -9.516 -4.061 1.00 0.00 H new ATOM 1047 N GLU A 130 1.904 -13.800 -5.790 1.00 0.00 N ATOM 1048 CA GLU A 130 0.733 -13.361 -5.040 1.00 0.00 C ATOM 1049 C GLU A 130 1.024 -12.066 -4.286 1.00 0.00 C ATOM 1050 O GLU A 130 1.977 -11.988 -3.508 1.00 0.00 O ATOM 1051 CB GLU A 130 0.292 -14.448 -4.057 1.00 0.00 C ATOM 1052 CG GLU A 130 -1.160 -14.327 -3.627 1.00 0.00 C ATOM 1053 CD GLU A 130 -1.642 -15.539 -2.854 1.00 0.00 C ATOM 1054 OE1 GLU A 130 -0.876 -16.047 -2.009 1.00 0.00 O ATOM 1055 OE2 GLU A 130 -2.786 -15.980 -3.095 1.00 0.00 O ATOM 0 H GLU A 130 2.442 -14.539 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.073 -13.175 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.446 -15.425 -4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.929 -14.407 -3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.279 -13.436 -3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.786 -14.190 -4.509 1.00 0.00 H new ATOM 1062 N LEU A 131 0.199 -11.053 -4.522 1.00 0.00 N ATOM 1063 CA LEU A 131 0.366 -9.761 -3.866 1.00 0.00 C ATOM 1064 C LEU A 131 -0.741 -9.520 -2.845 1.00 0.00 C ATOM 1065 O LEU A 131 -1.920 -9.725 -3.133 1.00 0.00 O ATOM 1066 CB LEU A 131 0.372 -8.637 -4.904 1.00 0.00 C ATOM 1067 CG LEU A 131 1.486 -8.694 -5.950 1.00 0.00 C ATOM 1068 CD1 LEU A 131 1.042 -8.023 -7.240 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.753 -8.042 -5.416 1.00 0.00 C ATOM 0 H LEU A 131 -0.593 -11.101 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 131 1.322 -9.769 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.587 -8.644 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.443 -7.685 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 131 1.703 -9.740 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.848 -8.073 -7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.163 -8.534 -7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.797 -6.980 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.535 -8.092 -6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.550 -6.999 -5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 131 3.082 -8.567 -4.520 1.00 0.00 H new ATOM 1081 N SER A 132 -0.353 -9.082 -1.652 1.00 0.00 N ATOM 1082 CA SER A 132 -1.313 -8.814 -0.587 1.00 0.00 C ATOM 1083 C SER A 132 -1.382 -7.321 -0.280 1.00 0.00 C ATOM 1084 O SER A 132 -0.374 -6.696 0.048 1.00 0.00 O ATOM 1085 CB SER A 132 -0.934 -9.589 0.677 1.00 0.00 C ATOM 1086 OG SER A 132 -1.503 -10.887 0.668 1.00 0.00 O ATOM 0 H SER A 132 0.619 -8.905 -1.398 1.00 0.00 H new ATOM 0 HA SER A 132 -2.295 -9.143 -0.926 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.151 -9.664 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.275 -9.045 1.557 1.00 0.00 H new ATOM 0 HG SER A 132 -1.245 -11.363 1.485 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.580 -6.756 -0.389 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.783 -5.337 -0.123 1.00 0.00 C ATOM 1094 C VAL A 133 -3.898 -5.122 0.895 1.00 0.00 C ATOM 1095 O VAL A 133 -4.948 -5.760 0.822 1.00 0.00 O ATOM 1096 CB VAL A 133 -3.125 -4.567 -1.412 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -3.088 -3.067 -1.165 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -2.171 -4.954 -2.533 1.00 0.00 C ATOM 0 H VAL A 133 -3.425 -7.259 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.846 -4.955 0.282 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.136 -4.836 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.332 -2.540 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -3.815 -2.807 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.090 -2.777 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.427 -4.400 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.149 -4.716 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.253 -6.023 -2.727 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.661 -4.221 1.842 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.646 -3.923 2.875 1.00 0.00 C ATOM 1110 C GLN A 134 -4.459 -2.508 3.413 1.00 0.00 C ATOM 1111 O GLN A 134 -3.400 -1.902 3.243 1.00 0.00 O ATOM 1112 CB GLN A 134 -4.539 -4.933 4.018 1.00 0.00 C ATOM 1113 CG GLN A 134 -3.184 -4.930 4.708 1.00 0.00 C ATOM 1114 CD GLN A 134 -3.002 -6.111 5.641 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -2.353 -7.098 5.292 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -3.574 -6.017 6.836 1.00 0.00 N ATOM 0 H GLN A 134 -2.796 -3.685 1.916 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.637 -3.995 2.428 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -5.313 -4.719 4.755 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -4.737 -5.932 3.629 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -2.397 -4.942 3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -3.070 -4.005 5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -4.103 -5.181 7.084 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -3.484 -6.781 7.506 1.00 0.00 H new ATOM 1125 N LEU A 135 -5.495 -1.985 4.061 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.446 -0.640 4.623 1.00 0.00 C ATOM 1127 C LEU A 135 -4.379 -0.543 5.709 1.00 0.00 C ATOM 1128 O LEU A 135 -4.138 -1.501 6.443 1.00 0.00 O ATOM 1129 CB LEU A 135 -6.811 -0.256 5.197 1.00 0.00 C ATOM 1130 CG LEU A 135 -7.857 0.213 4.185 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -9.253 0.122 4.779 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -7.560 1.634 3.730 1.00 0.00 C ATOM 0 H LEU A 135 -6.379 -2.472 4.210 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.188 0.053 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -7.213 -1.116 5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.664 0.536 5.931 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.812 -0.442 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.984 0.460 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.465 -0.911 5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.313 0.752 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.315 1.951 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.576 2.303 4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.576 1.668 3.263 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.746 0.622 5.807 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.707 0.844 6.805 1.00 0.00 C ATOM 1146 C GLN A 136 -3.301 0.895 8.209 1.00 0.00 C ATOM 1147 O GLN A 136 -4.492 1.149 8.396 1.00 0.00 O ATOM 1148 CB GLN A 136 -1.956 2.143 6.509 1.00 0.00 C ATOM 1149 CG GLN A 136 -0.750 1.956 5.602 1.00 0.00 C ATOM 1150 CD GLN A 136 0.326 2.997 5.840 1.00 0.00 C ATOM 1151 OE1 GLN A 136 1.183 2.833 6.708 1.00 0.00 O ATOM 1152 NE2 GLN A 136 0.287 4.076 5.067 1.00 0.00 N ATOM 0 H GLN A 136 -3.935 1.426 5.208 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.008 0.009 6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -2.642 2.852 6.046 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -1.628 2.585 7.450 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -0.331 0.963 5.762 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -1.072 2.003 4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -0.442 4.171 4.360 1.00 0.00 H new ATOM 0 HE22 GLN A 136 0.986 4.810 5.181 1.00 0.00 H new