USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 847 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 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 THR OG1 : rot 150:sc= -2.07! USER MOD Set 1.3: A 100 GLN : amide:sc= -3.48! C(o=-5.6!,f=-3.5!) USER MOD Set 2.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 64 MET CE :methyl -162:sc= -1.38 (180deg=-2.11!) USER MOD Set 3.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 28 ASN : amide:sc= -2.19 K(o=-2.2,f=-1.7) USER MOD Set 4.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 24 SER OG : rot 180:sc= -1 USER MOD Set 5.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 37:sc= 0.151 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0912 USER MOD Single : A 13 SER OG : rot 180:sc= 0.00209 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 19:sc= 0.104 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 60 GLN : amide:sc= 0.963 K(o=0.96,f=-5.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -4.71! C(o=-4.7!,f=-6.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 56:sc= 0.24 USER MOD Single : A 83 TYR OH : rot 180:sc= 0.772 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0499 X(o=-0.05,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 35:sc= 0.54 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00511 USER MOD Single : A 105 THR OG1 : rot 159:sc= 1.31 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 23:sc= 0.354 USER MOD Single : A 111 SER OG : rot 45:sc= 0.311 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.907 -29.452 6.550 1.00 0.00 N ATOM 2 CA GLY A 1 -9.815 -30.577 5.638 1.00 0.00 C ATOM 3 C GLY A 1 -8.645 -31.487 5.956 1.00 0.00 C ATOM 4 O GLY A 1 -8.589 -32.084 7.031 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.722 -28.861 6.291 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.028 -29.802 7.522 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.036 -28.886 6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.740 -31.152 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.716 -30.206 4.618 1.00 0.00 H new ATOM 8 N SER A 2 -7.710 -31.597 5.018 1.00 0.00 N ATOM 9 CA SER A 2 -6.539 -32.446 5.201 1.00 0.00 C ATOM 10 C SER A 2 -5.261 -31.612 5.219 1.00 0.00 C ATOM 11 O SER A 2 -5.073 -30.726 4.385 1.00 0.00 O ATOM 12 CB SER A 2 -6.462 -33.493 4.089 1.00 0.00 C ATOM 13 OG SER A 2 -7.274 -34.616 4.388 1.00 0.00 O ATOM 0 H SER A 2 -7.741 -31.108 4.123 1.00 0.00 H new ATOM 0 HA SER A 2 -6.636 -32.953 6.161 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.782 -33.050 3.146 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.428 -33.813 3.957 1.00 0.00 H new ATOM 0 HG SER A 2 -7.209 -35.270 3.661 1.00 0.00 H new ATOM 19 N SER A 3 -4.386 -31.902 6.176 1.00 0.00 N ATOM 20 CA SER A 3 -3.127 -31.178 6.307 1.00 0.00 C ATOM 21 C SER A 3 -2.499 -30.930 4.938 1.00 0.00 C ATOM 22 O SER A 3 -2.284 -31.862 4.164 1.00 0.00 O ATOM 23 CB SER A 3 -2.155 -31.958 7.194 1.00 0.00 C ATOM 24 OG SER A 3 -2.025 -33.298 6.753 1.00 0.00 O ATOM 0 H SER A 3 -4.526 -32.634 6.873 1.00 0.00 H new ATOM 0 HA SER A 3 -3.336 -30.214 6.772 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.179 -31.472 7.184 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.508 -31.944 8.225 1.00 0.00 H new ATOM 0 HG SER A 3 -2.046 -33.324 5.774 1.00 0.00 H new ATOM 30 N GLY A 4 -2.205 -29.666 4.649 1.00 0.00 N ATOM 31 CA GLY A 4 -1.604 -29.318 3.375 1.00 0.00 C ATOM 32 C GLY A 4 -0.095 -29.199 3.458 1.00 0.00 C ATOM 33 O GLY A 4 0.566 -30.032 4.078 1.00 0.00 O ATOM 0 H GLY A 4 -2.372 -28.877 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.865 -30.074 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.021 -28.373 3.026 1.00 0.00 H new ATOM 37 N SER A 5 0.451 -28.162 2.831 1.00 0.00 N ATOM 38 CA SER A 5 1.892 -27.940 2.832 1.00 0.00 C ATOM 39 C SER A 5 2.232 -26.584 3.443 1.00 0.00 C ATOM 40 O SER A 5 3.000 -26.498 4.402 1.00 0.00 O ATOM 41 CB SER A 5 2.444 -28.024 1.408 1.00 0.00 C ATOM 42 OG SER A 5 3.841 -27.788 1.388 1.00 0.00 O ATOM 0 H SER A 5 -0.083 -27.462 2.316 1.00 0.00 H new ATOM 0 HA SER A 5 2.354 -28.719 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.232 -29.008 0.990 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.940 -27.294 0.775 1.00 0.00 H new ATOM 0 HG SER A 5 4.170 -27.849 0.467 1.00 0.00 H new ATOM 48 N SER A 6 1.655 -25.527 2.881 1.00 0.00 N ATOM 49 CA SER A 6 1.900 -24.174 3.366 1.00 0.00 C ATOM 50 C SER A 6 0.668 -23.622 4.078 1.00 0.00 C ATOM 51 O SER A 6 -0.339 -23.307 3.445 1.00 0.00 O ATOM 52 CB SER A 6 2.288 -23.256 2.206 1.00 0.00 C ATOM 53 OG SER A 6 2.677 -21.977 2.677 1.00 0.00 O ATOM 0 H SER A 6 1.014 -25.581 2.089 1.00 0.00 H new ATOM 0 HA SER A 6 2.724 -24.213 4.079 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.106 -23.704 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.446 -23.154 1.521 1.00 0.00 H new ATOM 0 HG SER A 6 2.922 -21.409 1.917 1.00 0.00 H new ATOM 59 N GLY A 7 0.757 -23.507 5.399 1.00 0.00 N ATOM 60 CA GLY A 7 -0.355 -22.993 6.176 1.00 0.00 C ATOM 61 C GLY A 7 0.027 -21.784 7.007 1.00 0.00 C ATOM 62 O GLY A 7 0.041 -21.846 8.236 1.00 0.00 O ATOM 0 H GLY A 7 1.580 -23.761 5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.170 -22.725 5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.729 -23.778 6.833 1.00 0.00 H new ATOM 66 N SER A 8 0.339 -20.681 6.334 1.00 0.00 N ATOM 67 CA SER A 8 0.729 -19.453 7.018 1.00 0.00 C ATOM 68 C SER A 8 -0.413 -18.442 7.012 1.00 0.00 C ATOM 69 O SER A 8 -1.356 -18.558 6.229 1.00 0.00 O ATOM 70 CB SER A 8 1.966 -18.846 6.354 1.00 0.00 C ATOM 71 OG SER A 8 2.387 -17.676 7.034 1.00 0.00 O ATOM 0 H SER A 8 0.329 -20.612 5.316 1.00 0.00 H new ATOM 0 HA SER A 8 0.966 -19.702 8.053 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.774 -19.577 6.347 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.744 -18.606 5.314 1.00 0.00 H new ATOM 0 HG SER A 8 3.180 -17.308 6.591 1.00 0.00 H new ATOM 77 N ARG A 9 -0.321 -17.450 7.892 1.00 0.00 N ATOM 78 CA ARG A 9 -1.347 -16.418 7.990 1.00 0.00 C ATOM 79 C ARG A 9 -0.744 -15.031 7.785 1.00 0.00 C ATOM 80 O ARG A 9 -0.264 -14.391 8.720 1.00 0.00 O ATOM 81 CB ARG A 9 -2.041 -16.488 9.351 1.00 0.00 C ATOM 82 CG ARG A 9 -1.123 -16.922 10.482 1.00 0.00 C ATOM 83 CD ARG A 9 -1.597 -16.383 11.823 1.00 0.00 C ATOM 84 NE ARG A 9 -0.525 -16.364 12.814 1.00 0.00 N ATOM 85 CZ ARG A 9 -0.737 -16.381 14.126 1.00 0.00 C ATOM 86 NH1 ARG A 9 -1.974 -16.419 14.600 1.00 0.00 N ATOM 87 NH2 ARG A 9 0.291 -16.362 14.965 1.00 0.00 N ATOM 0 H ARG A 9 0.453 -17.339 8.547 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.082 -16.595 7.205 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.457 -15.509 9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.878 -17.183 9.287 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.081 -18.011 10.521 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.110 -16.571 10.285 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.987 -15.374 11.691 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.420 -16.997 12.190 1.00 0.00 H new ATOM 0 HE ARG A 9 0.439 -16.336 12.481 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.766 -16.435 13.958 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.134 -16.432 15.607 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.244 -16.334 14.603 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.128 -16.375 15.972 1.00 0.00 H new ATOM 101 N PRO A 10 -0.769 -14.555 6.531 1.00 0.00 N ATOM 102 CA PRO A 10 -0.229 -13.240 6.173 1.00 0.00 C ATOM 103 C PRO A 10 -1.072 -12.097 6.728 1.00 0.00 C ATOM 104 O PRO A 10 -2.237 -11.938 6.362 1.00 0.00 O ATOM 105 CB PRO A 10 -0.273 -13.243 4.643 1.00 0.00 C ATOM 106 CG PRO A 10 -1.355 -14.207 4.297 1.00 0.00 C ATOM 107 CD PRO A 10 -1.325 -15.264 5.366 1.00 0.00 C ATOM 0 HA PRO A 10 0.768 -13.083 6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.488 -12.249 4.251 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.683 -13.552 4.220 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.325 -13.711 4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -1.189 -14.643 3.312 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.321 -15.656 5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.703 -16.111 5.076 1.00 0.00 H new ATOM 115 N ARG A 11 -0.476 -11.303 7.612 1.00 0.00 N ATOM 116 CA ARG A 11 -1.174 -10.175 8.217 1.00 0.00 C ATOM 117 C ARG A 11 -0.396 -8.879 8.007 1.00 0.00 C ATOM 118 O ARG A 11 0.810 -8.899 7.761 1.00 0.00 O ATOM 119 CB ARG A 11 -1.382 -10.420 9.713 1.00 0.00 C ATOM 120 CG ARG A 11 -2.176 -11.679 10.020 1.00 0.00 C ATOM 121 CD ARG A 11 -3.665 -11.467 9.792 1.00 0.00 C ATOM 122 NE ARG A 11 -4.308 -10.826 10.937 1.00 0.00 N ATOM 123 CZ ARG A 11 -4.734 -11.489 12.006 1.00 0.00 C ATOM 124 NH1 ARG A 11 -4.587 -12.805 12.077 1.00 0.00 N ATOM 125 NH2 ARG A 11 -5.309 -10.836 13.007 1.00 0.00 N ATOM 0 H ARG A 11 0.488 -11.420 7.925 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.146 -10.079 7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.409 -10.486 10.200 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.897 -9.562 10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.823 -12.496 9.391 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.004 -11.976 11.054 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.812 -10.853 8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.143 -12.428 9.599 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.437 -9.814 10.914 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.146 -13.311 11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.915 -13.311 12.899 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.424 -9.824 12.956 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.636 -11.346 13.828 1.00 0.00 H new ATOM 139 N LEU A 12 -1.096 -7.754 8.104 1.00 0.00 N ATOM 140 CA LEU A 12 -0.472 -6.447 7.923 1.00 0.00 C ATOM 141 C LEU A 12 0.271 -6.020 9.185 1.00 0.00 C ATOM 142 O LEU A 12 0.003 -6.523 10.276 1.00 0.00 O ATOM 143 CB LEU A 12 -1.528 -5.402 7.560 1.00 0.00 C ATOM 144 CG LEU A 12 -2.042 -5.439 6.120 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.423 -4.808 6.030 1.00 0.00 C ATOM 146 CD2 LEU A 12 -1.069 -4.733 5.188 1.00 0.00 C ATOM 0 H LEU A 12 -2.095 -7.720 8.307 1.00 0.00 H new ATOM 0 HA LEU A 12 0.248 -6.524 7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.378 -5.525 8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.112 -4.413 7.751 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.120 -6.481 5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.773 -4.843 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.116 -5.357 6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.371 -3.771 6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.451 -4.769 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.958 -3.694 5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.100 -5.229 5.230 1.00 0.00 H new ATOM 158 N SER A 13 1.204 -5.086 9.028 1.00 0.00 N ATOM 159 CA SER A 13 1.986 -4.591 10.155 1.00 0.00 C ATOM 160 C SER A 13 1.442 -3.254 10.649 1.00 0.00 C ATOM 161 O SER A 13 0.423 -2.768 10.159 1.00 0.00 O ATOM 162 CB SER A 13 3.455 -4.440 9.755 1.00 0.00 C ATOM 163 OG SER A 13 4.310 -4.644 10.867 1.00 0.00 O ATOM 0 H SER A 13 1.437 -4.657 8.132 1.00 0.00 H new ATOM 0 HA SER A 13 1.909 -5.316 10.965 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.697 -5.157 8.970 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.622 -3.445 9.341 1.00 0.00 H new ATOM 0 HG SER A 13 5.243 -4.544 10.585 1.00 0.00 H new ATOM 169 N GLN A 14 2.130 -2.666 11.622 1.00 0.00 N ATOM 170 CA GLN A 14 1.715 -1.385 12.183 1.00 0.00 C ATOM 171 C GLN A 14 1.603 -0.324 11.094 1.00 0.00 C ATOM 172 O GLN A 14 2.609 0.111 10.530 1.00 0.00 O ATOM 173 CB GLN A 14 2.707 -0.930 13.256 1.00 0.00 C ATOM 174 CG GLN A 14 4.131 -0.783 12.745 1.00 0.00 C ATOM 175 CD GLN A 14 5.145 -0.678 13.866 1.00 0.00 C ATOM 176 OE1 GLN A 14 5.109 0.258 14.666 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.058 -1.640 13.931 1.00 0.00 N ATOM 0 H GLN A 14 2.976 -3.055 12.038 1.00 0.00 H new ATOM 0 HA GLN A 14 0.733 -1.517 12.638 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.376 0.025 13.664 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.696 -1.648 14.076 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.377 -1.639 12.116 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.197 0.105 12.116 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.051 -2.397 13.247 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.766 -1.622 14.665 1.00 0.00 H new ATOM 186 N LEU A 15 0.375 0.089 10.801 1.00 0.00 N ATOM 187 CA LEU A 15 0.131 1.100 9.778 1.00 0.00 C ATOM 188 C LEU A 15 0.200 2.503 10.372 1.00 0.00 C ATOM 189 O LEU A 15 -0.727 2.947 11.050 1.00 0.00 O ATOM 190 CB LEU A 15 -1.235 0.875 9.127 1.00 0.00 C ATOM 191 CG LEU A 15 -1.787 2.042 8.306 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.127 2.091 6.937 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.298 1.928 8.168 1.00 0.00 C ATOM 0 H LEU A 15 -0.468 -0.261 11.257 1.00 0.00 H new ATOM 0 HA LEU A 15 0.908 1.009 9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.167 0.001 8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.954 0.636 9.911 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.559 2.970 8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.532 2.927 6.367 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.051 2.220 7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.324 1.160 6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.674 2.766 7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.548 0.993 7.667 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.756 1.943 9.157 1.00 0.00 H new ATOM 205 N SER A 16 1.302 3.198 10.110 1.00 0.00 N ATOM 206 CA SER A 16 1.492 4.551 10.620 1.00 0.00 C ATOM 207 C SER A 16 1.394 5.575 9.494 1.00 0.00 C ATOM 208 O SER A 16 1.462 5.226 8.315 1.00 0.00 O ATOM 209 CB SER A 16 2.850 4.670 11.316 1.00 0.00 C ATOM 210 OG SER A 16 2.930 3.799 12.431 1.00 0.00 O ATOM 0 H SER A 16 2.077 2.847 9.548 1.00 0.00 H new ATOM 0 HA SER A 16 0.702 4.755 11.343 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.646 4.435 10.609 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.006 5.698 11.642 1.00 0.00 H new ATOM 0 HG SER A 16 3.808 3.893 12.857 1.00 0.00 H new ATOM 216 N VAL A 17 1.233 6.841 9.865 1.00 0.00 N ATOM 217 CA VAL A 17 1.126 7.917 8.888 1.00 0.00 C ATOM 218 C VAL A 17 2.300 8.882 9.002 1.00 0.00 C ATOM 219 O VAL A 17 2.585 9.407 10.079 1.00 0.00 O ATOM 220 CB VAL A 17 -0.188 8.702 9.059 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.314 9.773 7.986 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.381 7.758 9.024 1.00 0.00 C ATOM 0 H VAL A 17 1.174 7.147 10.836 1.00 0.00 H new ATOM 0 HA VAL A 17 1.137 7.451 7.903 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.172 9.195 10.031 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.248 10.317 8.123 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.524 10.466 8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.308 9.305 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.301 8.330 9.146 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.403 7.235 8.068 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.295 7.032 9.833 1.00 0.00 H new ATOM 232 N THR A 18 2.980 9.114 7.883 1.00 0.00 N ATOM 233 CA THR A 18 4.125 10.016 7.857 1.00 0.00 C ATOM 234 C THR A 18 3.893 11.170 6.890 1.00 0.00 C ATOM 235 O THR A 18 2.937 11.161 6.114 1.00 0.00 O ATOM 236 CB THR A 18 5.414 9.275 7.455 1.00 0.00 C ATOM 237 OG1 THR A 18 5.386 8.964 6.058 1.00 0.00 O ATOM 238 CG2 THR A 18 5.577 7.995 8.261 1.00 0.00 C ATOM 0 H THR A 18 2.757 8.689 6.983 1.00 0.00 H new ATOM 0 HA THR A 18 4.241 10.410 8.867 1.00 0.00 H new ATOM 0 HB THR A 18 6.261 9.928 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.210 8.494 5.811 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.494 7.489 7.959 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.629 8.237 9.322 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.725 7.340 8.080 1.00 0.00 H new ATOM 246 N ASP A 19 4.773 12.164 6.940 1.00 0.00 N ATOM 247 CA ASP A 19 4.665 13.326 6.066 1.00 0.00 C ATOM 248 C ASP A 19 3.257 13.910 6.109 1.00 0.00 C ATOM 249 O ASP A 19 2.723 14.347 5.090 1.00 0.00 O ATOM 250 CB ASP A 19 5.030 12.947 4.630 1.00 0.00 C ATOM 251 CG ASP A 19 6.513 13.092 4.352 1.00 0.00 C ATOM 252 OD1 ASP A 19 7.314 12.914 5.293 1.00 0.00 O ATOM 253 OD2 ASP A 19 6.873 13.383 3.192 1.00 0.00 O ATOM 0 H ASP A 19 5.569 12.188 7.577 1.00 0.00 H new ATOM 0 HA ASP A 19 5.364 14.083 6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.727 11.917 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.470 13.576 3.938 1.00 0.00 H new ATOM 258 N VAL A 20 2.658 13.911 7.296 1.00 0.00 N ATOM 259 CA VAL A 20 1.311 14.440 7.473 1.00 0.00 C ATOM 260 C VAL A 20 1.169 15.811 6.820 1.00 0.00 C ATOM 261 O VAL A 20 1.665 16.812 7.338 1.00 0.00 O ATOM 262 CB VAL A 20 0.943 14.553 8.964 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.458 15.123 9.127 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.059 13.198 9.645 1.00 0.00 C ATOM 0 H VAL A 20 3.085 13.551 8.150 1.00 0.00 H new ATOM 0 HA VAL A 20 0.630 13.739 6.991 1.00 0.00 H new ATOM 0 HB VAL A 20 1.645 15.236 9.443 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.700 15.195 10.187 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.502 16.114 8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.177 14.468 8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.795 13.296 10.698 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.382 12.491 9.166 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.083 12.834 9.560 1.00 0.00 H new ATOM 274 N THR A 21 0.488 15.850 5.679 1.00 0.00 N ATOM 275 CA THR A 21 0.281 17.097 4.955 1.00 0.00 C ATOM 276 C THR A 21 -0.918 17.860 5.505 1.00 0.00 C ATOM 277 O THR A 21 -1.761 17.294 6.203 1.00 0.00 O ATOM 278 CB THR A 21 0.068 16.845 3.450 1.00 0.00 C ATOM 279 OG1 THR A 21 0.785 15.674 3.044 1.00 0.00 O ATOM 280 CG2 THR A 21 0.530 18.039 2.630 1.00 0.00 C ATOM 0 H THR A 21 0.070 15.031 5.237 1.00 0.00 H new ATOM 0 HA THR A 21 1.182 17.694 5.092 1.00 0.00 H new ATOM 0 HB THR A 21 -0.998 16.697 3.276 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.644 15.519 2.087 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.369 17.837 1.571 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.038 18.922 2.921 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.591 18.215 2.809 1.00 0.00 H new ATOM 288 N THR A 22 -0.991 19.149 5.188 1.00 0.00 N ATOM 289 CA THR A 22 -2.087 19.990 5.651 1.00 0.00 C ATOM 290 C THR A 22 -3.437 19.376 5.300 1.00 0.00 C ATOM 291 O THR A 22 -4.342 19.324 6.134 1.00 0.00 O ATOM 292 CB THR A 22 -2.006 21.404 5.045 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.747 21.320 3.639 1.00 0.00 O ATOM 294 CG2 THR A 22 -0.914 22.220 5.719 1.00 0.00 C ATOM 0 H THR A 22 -0.303 19.633 4.612 1.00 0.00 H new ATOM 0 HA THR A 22 -1.994 20.062 6.735 1.00 0.00 H new ATOM 0 HB THR A 22 -2.962 21.901 5.209 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.699 22.223 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.876 23.214 5.274 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.129 22.307 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.047 21.724 5.583 1.00 0.00 H new ATOM 302 N SER A 23 -3.567 18.911 4.062 1.00 0.00 N ATOM 303 CA SER A 23 -4.809 18.302 3.600 1.00 0.00 C ATOM 304 C SER A 23 -4.553 16.911 3.030 1.00 0.00 C ATOM 305 O SER A 23 -5.391 16.355 2.320 1.00 0.00 O ATOM 306 CB SER A 23 -5.471 19.186 2.541 1.00 0.00 C ATOM 307 OG SER A 23 -4.543 19.564 1.539 1.00 0.00 O ATOM 0 H SER A 23 -2.827 18.944 3.360 1.00 0.00 H new ATOM 0 HA SER A 23 -5.479 18.207 4.455 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.305 18.651 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.884 20.077 3.013 1.00 0.00 H new ATOM 0 HG SER A 23 -4.991 20.127 0.874 1.00 0.00 H new ATOM 313 N SER A 24 -3.389 16.353 3.347 1.00 0.00 N ATOM 314 CA SER A 24 -3.019 15.028 2.864 1.00 0.00 C ATOM 315 C SER A 24 -1.999 14.376 3.793 1.00 0.00 C ATOM 316 O SER A 24 -1.613 14.951 4.812 1.00 0.00 O ATOM 317 CB SER A 24 -2.450 15.119 1.447 1.00 0.00 C ATOM 318 OG SER A 24 -1.833 16.375 1.224 1.00 0.00 O ATOM 0 H SER A 24 -2.686 16.798 3.937 1.00 0.00 H new ATOM 0 HA SER A 24 -3.917 14.410 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.724 14.321 1.292 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.249 14.969 0.721 1.00 0.00 H new ATOM 0 HG SER A 24 -1.476 16.407 0.312 1.00 0.00 H new ATOM 324 N LEU A 25 -1.566 13.172 3.434 1.00 0.00 N ATOM 325 CA LEU A 25 -0.591 12.440 4.235 1.00 0.00 C ATOM 326 C LEU A 25 -0.130 11.179 3.512 1.00 0.00 C ATOM 327 O LEU A 25 -0.564 10.898 2.394 1.00 0.00 O ATOM 328 CB LEU A 25 -1.189 12.074 5.594 1.00 0.00 C ATOM 329 CG LEU A 25 -2.678 11.727 5.600 1.00 0.00 C ATOM 330 CD1 LEU A 25 -2.945 10.501 4.742 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.167 11.501 7.024 1.00 0.00 C ATOM 0 H LEU A 25 -1.875 12.682 2.594 1.00 0.00 H new ATOM 0 HA LEU A 25 0.274 13.085 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.637 11.224 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.028 12.909 6.276 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.228 12.567 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.010 10.270 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.633 10.700 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.384 9.653 5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.229 11.255 7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.610 10.679 7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.013 12.407 7.610 1.00 0.00 H new ATOM 343 N ARG A 26 0.750 10.421 4.158 1.00 0.00 N ATOM 344 CA ARG A 26 1.269 9.188 3.577 1.00 0.00 C ATOM 345 C ARG A 26 1.227 8.049 4.591 1.00 0.00 C ATOM 346 O ARG A 26 1.377 8.269 5.794 1.00 0.00 O ATOM 347 CB ARG A 26 2.702 9.395 3.085 1.00 0.00 C ATOM 348 CG ARG A 26 3.242 8.229 2.273 1.00 0.00 C ATOM 349 CD ARG A 26 4.742 8.350 2.052 1.00 0.00 C ATOM 350 NE ARG A 26 5.072 9.423 1.118 1.00 0.00 N ATOM 351 CZ ARG A 26 5.079 9.273 -0.202 1.00 0.00 C ATOM 352 NH1 ARG A 26 4.774 8.100 -0.740 1.00 0.00 N ATOM 353 NH2 ARG A 26 5.390 10.297 -0.986 1.00 0.00 N ATOM 0 H ARG A 26 1.119 10.639 5.084 1.00 0.00 H new ATOM 0 HA ARG A 26 0.637 8.921 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.741 10.299 2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.352 9.560 3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.024 7.294 2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.733 8.189 1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.235 8.535 3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.130 7.405 1.671 1.00 0.00 H new ATOM 0 HE ARG A 26 5.310 10.338 1.500 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.533 7.311 -0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.780 7.987 -1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.624 11.201 -0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.395 10.180 -1.999 1.00 0.00 H new ATOM 367 N LEU A 27 1.022 6.833 4.099 1.00 0.00 N ATOM 368 CA LEU A 27 0.960 5.658 4.962 1.00 0.00 C ATOM 369 C LEU A 27 2.097 4.691 4.648 1.00 0.00 C ATOM 370 O LEU A 27 2.704 4.757 3.581 1.00 0.00 O ATOM 371 CB LEU A 27 -0.387 4.951 4.798 1.00 0.00 C ATOM 372 CG LEU A 27 -1.567 5.574 5.544 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.869 5.297 4.808 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.635 5.046 6.969 1.00 0.00 C ATOM 0 H LEU A 27 0.896 6.634 3.107 1.00 0.00 H new ATOM 0 HA LEU A 27 1.066 5.990 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.631 4.918 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.276 3.919 5.131 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.419 6.653 5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.698 5.748 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.819 5.724 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.024 4.221 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.481 5.500 7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.760 3.963 6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.713 5.296 7.494 1.00 0.00 H new ATOM 386 N ASN A 28 2.378 3.793 5.586 1.00 0.00 N ATOM 387 CA ASN A 28 3.441 2.810 5.409 1.00 0.00 C ATOM 388 C ASN A 28 3.184 1.571 6.262 1.00 0.00 C ATOM 389 O ASN A 28 3.118 1.652 7.488 1.00 0.00 O ATOM 390 CB ASN A 28 4.795 3.422 5.774 1.00 0.00 C ATOM 391 CG ASN A 28 5.119 4.648 4.942 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.685 4.542 3.854 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.760 5.820 5.451 1.00 0.00 N ATOM 0 H ASN A 28 1.885 3.725 6.476 1.00 0.00 H new ATOM 0 HA ASN A 28 3.455 2.511 4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.796 3.692 6.830 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.577 2.675 5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.951 6.680 4.936 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.293 5.861 6.357 1.00 0.00 H new ATOM 400 N TRP A 29 3.042 0.426 5.603 1.00 0.00 N ATOM 401 CA TRP A 29 2.793 -0.830 6.301 1.00 0.00 C ATOM 402 C TRP A 29 3.708 -1.933 5.779 1.00 0.00 C ATOM 403 O TRP A 29 4.043 -1.964 4.596 1.00 0.00 O ATOM 404 CB TRP A 29 1.330 -1.245 6.140 1.00 0.00 C ATOM 405 CG TRP A 29 0.921 -1.438 4.711 1.00 0.00 C ATOM 406 CD1 TRP A 29 1.006 -2.589 3.981 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.364 -0.448 3.838 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.536 -2.375 2.708 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.136 -1.071 2.595 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.034 0.901 3.986 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.406 -0.387 1.509 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.503 1.578 2.908 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.719 0.934 1.682 1.00 0.00 C ATOM 0 H TRP A 29 3.095 0.342 4.588 1.00 0.00 H new ATOM 0 HA TRP A 29 3.006 -0.678 7.359 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.161 -2.172 6.687 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.692 -0.486 6.594 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.387 -3.530 4.350 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.492 -3.075 1.967 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.196 1.406 4.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.573 -0.882 0.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.761 2.622 3.012 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.140 1.491 0.858 1.00 0.00 H new ATOM 424 N GLU A 30 4.107 -2.835 6.670 1.00 0.00 N ATOM 425 CA GLU A 30 4.984 -3.939 6.297 1.00 0.00 C ATOM 426 C GLU A 30 4.181 -5.213 6.051 1.00 0.00 C ATOM 427 O GLU A 30 3.329 -5.587 6.857 1.00 0.00 O ATOM 428 CB GLU A 30 6.027 -4.183 7.390 1.00 0.00 C ATOM 429 CG GLU A 30 7.074 -5.217 7.012 1.00 0.00 C ATOM 430 CD GLU A 30 8.073 -4.692 5.999 1.00 0.00 C ATOM 431 OE1 GLU A 30 8.823 -3.753 6.339 1.00 0.00 O ATOM 432 OE2 GLU A 30 8.106 -5.220 4.868 1.00 0.00 O ATOM 0 H GLU A 30 3.838 -2.823 7.654 1.00 0.00 H new ATOM 0 HA GLU A 30 5.494 -3.668 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.525 -3.242 7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.520 -4.507 8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.605 -5.536 7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.578 -6.098 6.605 1.00 0.00 H new ATOM 439 N ALA A 31 4.459 -5.874 4.932 1.00 0.00 N ATOM 440 CA ALA A 31 3.764 -7.107 4.581 1.00 0.00 C ATOM 441 C ALA A 31 4.688 -8.064 3.836 1.00 0.00 C ATOM 442 O ALA A 31 5.559 -7.654 3.069 1.00 0.00 O ATOM 443 CB ALA A 31 2.533 -6.797 3.741 1.00 0.00 C ATOM 0 H ALA A 31 5.160 -5.577 4.253 1.00 0.00 H new ATOM 0 HA ALA A 31 3.448 -7.593 5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.023 -7.726 3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.857 -6.156 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.836 -6.286 2.827 1.00 0.00 H new ATOM 449 N PRO A 32 4.496 -9.372 4.065 1.00 0.00 N ATOM 450 CA PRO A 32 5.302 -10.415 3.425 1.00 0.00 C ATOM 451 C PRO A 32 5.016 -10.535 1.932 1.00 0.00 C ATOM 452 O PRO A 32 4.071 -9.945 1.408 1.00 0.00 O ATOM 453 CB PRO A 32 4.876 -11.691 4.155 1.00 0.00 C ATOM 454 CG PRO A 32 3.502 -11.403 4.652 1.00 0.00 C ATOM 455 CD PRO A 32 3.475 -9.932 4.967 1.00 0.00 C ATOM 0 HA PRO A 32 6.369 -10.204 3.494 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.882 -12.551 3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.554 -11.922 4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.754 -11.655 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.275 -11.996 5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.492 -9.499 4.780 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.714 -9.740 6.013 1.00 0.00 H new ATOM 463 N PRO A 33 5.850 -11.316 1.230 1.00 0.00 N ATOM 464 CA PRO A 33 5.706 -11.532 -0.213 1.00 0.00 C ATOM 465 C PRO A 33 4.478 -12.369 -0.554 1.00 0.00 C ATOM 466 O PRO A 33 3.999 -13.149 0.268 1.00 0.00 O ATOM 467 CB PRO A 33 6.986 -12.282 -0.589 1.00 0.00 C ATOM 468 CG PRO A 33 7.410 -12.960 0.667 1.00 0.00 C ATOM 469 CD PRO A 33 6.998 -12.048 1.790 1.00 0.00 C ATOM 0 HA PRO A 33 5.570 -10.595 -0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.803 -13.003 -1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.755 -11.598 -0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.935 -13.936 0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.487 -13.127 0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.720 -12.609 2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.804 -11.373 2.076 1.00 0.00 H new ATOM 477 N GLY A 34 3.972 -12.201 -1.772 1.00 0.00 N ATOM 478 CA GLY A 34 2.804 -12.949 -2.200 1.00 0.00 C ATOM 479 C GLY A 34 1.794 -13.133 -1.085 1.00 0.00 C ATOM 480 O GLY A 34 1.138 -14.171 -0.998 1.00 0.00 O ATOM 0 H GLY A 34 4.350 -11.560 -2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.330 -12.431 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.117 -13.926 -2.568 1.00 0.00 H new ATOM 484 N ALA A 35 1.668 -12.124 -0.230 1.00 0.00 N ATOM 485 CA ALA A 35 0.729 -12.179 0.884 1.00 0.00 C ATOM 486 C ALA A 35 -0.689 -11.858 0.424 1.00 0.00 C ATOM 487 O ALA A 35 -1.617 -12.632 0.656 1.00 0.00 O ATOM 488 CB ALA A 35 1.159 -11.220 1.984 1.00 0.00 C ATOM 0 H ALA A 35 2.204 -11.258 -0.287 1.00 0.00 H new ATOM 0 HA ALA A 35 0.733 -13.194 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.449 -11.271 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.151 -11.497 2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.185 -10.204 1.591 1.00 0.00 H new ATOM 494 N PHE A 36 -0.849 -10.712 -0.229 1.00 0.00 N ATOM 495 CA PHE A 36 -2.155 -10.288 -0.720 1.00 0.00 C ATOM 496 C PHE A 36 -2.065 -9.820 -2.170 1.00 0.00 C ATOM 497 O PHE A 36 -1.045 -9.280 -2.597 1.00 0.00 O ATOM 498 CB PHE A 36 -2.713 -9.165 0.157 1.00 0.00 C ATOM 499 CG PHE A 36 -2.505 -9.392 1.627 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.443 -10.084 2.374 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.370 -8.913 2.261 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.254 -10.294 3.727 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.175 -9.120 3.614 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.118 -9.812 4.347 1.00 0.00 C ATOM 0 H PHE A 36 -0.091 -10.060 -0.430 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.828 -11.144 -0.674 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.241 -8.224 -0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.780 -9.058 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.333 -10.464 1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.629 -8.372 1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.994 -10.834 4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.286 -8.741 4.097 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.968 -9.976 5.404 1.00 0.00 H new ATOM 514 N ASP A 37 -3.140 -10.033 -2.921 1.00 0.00 N ATOM 515 CA ASP A 37 -3.184 -9.633 -4.323 1.00 0.00 C ATOM 516 C ASP A 37 -3.085 -8.117 -4.459 1.00 0.00 C ATOM 517 O ASP A 37 -2.435 -7.607 -5.371 1.00 0.00 O ATOM 518 CB ASP A 37 -4.472 -10.134 -4.978 1.00 0.00 C ATOM 519 CG ASP A 37 -4.387 -11.592 -5.383 1.00 0.00 C ATOM 520 OD1 ASP A 37 -3.929 -12.412 -4.558 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.780 -11.915 -6.523 1.00 0.00 O ATOM 0 H ASP A 37 -3.992 -10.480 -2.583 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.330 -10.081 -4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.304 -10.000 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.688 -9.528 -5.858 1.00 0.00 H new ATOM 526 N SER A 38 -3.736 -7.403 -3.547 1.00 0.00 N ATOM 527 CA SER A 38 -3.726 -5.945 -3.568 1.00 0.00 C ATOM 528 C SER A 38 -4.123 -5.379 -2.208 1.00 0.00 C ATOM 529 O SER A 38 -4.439 -6.125 -1.280 1.00 0.00 O ATOM 530 CB SER A 38 -4.676 -5.422 -4.647 1.00 0.00 C ATOM 531 OG SER A 38 -5.841 -6.225 -4.733 1.00 0.00 O ATOM 0 H SER A 38 -4.277 -7.810 -2.784 1.00 0.00 H new ATOM 0 HA SER A 38 -2.712 -5.617 -3.797 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.956 -4.393 -4.422 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.166 -5.411 -5.610 1.00 0.00 H new ATOM 0 HG SER A 38 -6.433 -5.869 -5.428 1.00 0.00 H new ATOM 537 N PHE A 39 -4.104 -4.055 -2.096 1.00 0.00 N ATOM 538 CA PHE A 39 -4.461 -3.387 -0.850 1.00 0.00 C ATOM 539 C PHE A 39 -5.525 -2.320 -1.090 1.00 0.00 C ATOM 540 O PHE A 39 -5.346 -1.423 -1.915 1.00 0.00 O ATOM 541 CB PHE A 39 -3.222 -2.755 -0.213 1.00 0.00 C ATOM 542 CG PHE A 39 -2.317 -3.750 0.455 1.00 0.00 C ATOM 543 CD1 PHE A 39 -2.773 -4.520 1.513 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.010 -3.915 0.025 1.00 0.00 C ATOM 545 CE1 PHE A 39 -1.943 -5.437 2.129 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.176 -4.831 0.637 1.00 0.00 C ATOM 547 CZ PHE A 39 -0.642 -5.592 1.692 1.00 0.00 C ATOM 0 H PHE A 39 -3.845 -3.423 -2.854 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.869 -4.134 -0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.660 -2.223 -0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.539 -2.014 0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.789 -4.402 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.639 -3.321 -0.797 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.311 -6.032 2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.840 -4.952 0.291 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.009 -6.306 2.174 1.00 0.00 H new ATOM 557 N LEU A 40 -6.632 -2.423 -0.363 1.00 0.00 N ATOM 558 CA LEU A 40 -7.726 -1.468 -0.496 1.00 0.00 C ATOM 559 C LEU A 40 -7.856 -0.610 0.758 1.00 0.00 C ATOM 560 O LEU A 40 -8.336 -1.073 1.794 1.00 0.00 O ATOM 561 CB LEU A 40 -9.041 -2.202 -0.763 1.00 0.00 C ATOM 562 CG LEU A 40 -10.161 -1.368 -1.388 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.748 -0.864 -2.762 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.444 -2.181 -1.479 1.00 0.00 C ATOM 0 H LEU A 40 -6.796 -3.158 0.325 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.504 -0.815 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.835 -3.047 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.403 -2.612 0.180 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.346 -0.505 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.557 -0.273 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.856 -0.245 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.535 -1.713 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.230 -1.572 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.273 -3.063 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.750 -2.491 -0.480 1.00 0.00 H new ATOM 576 N LEU A 41 -7.426 0.643 0.659 1.00 0.00 N ATOM 577 CA LEU A 41 -7.496 1.568 1.785 1.00 0.00 C ATOM 578 C LEU A 41 -8.778 2.394 1.733 1.00 0.00 C ATOM 579 O LEU A 41 -9.066 3.048 0.731 1.00 0.00 O ATOM 580 CB LEU A 41 -6.279 2.494 1.786 1.00 0.00 C ATOM 581 CG LEU A 41 -6.341 3.683 2.746 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.957 3.253 4.153 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.434 4.806 2.263 1.00 0.00 C ATOM 0 H LEU A 41 -7.025 1.042 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.500 0.983 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.397 1.902 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.137 2.876 0.775 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.365 4.055 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.007 4.112 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.646 2.483 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.942 2.855 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.491 5.644 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.406 4.447 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.755 5.133 1.274 1.00 0.00 H new ATOM 595 N ARG A 42 -9.542 2.360 2.820 1.00 0.00 N ATOM 596 CA ARG A 42 -10.792 3.106 2.899 1.00 0.00 C ATOM 597 C ARG A 42 -10.706 4.200 3.959 1.00 0.00 C ATOM 598 O ARG A 42 -10.530 3.917 5.145 1.00 0.00 O ATOM 599 CB ARG A 42 -11.954 2.163 3.216 1.00 0.00 C ATOM 600 CG ARG A 42 -12.564 1.513 1.985 1.00 0.00 C ATOM 601 CD ARG A 42 -13.811 0.716 2.337 1.00 0.00 C ATOM 602 NE ARG A 42 -14.625 0.426 1.159 1.00 0.00 N ATOM 603 CZ ARG A 42 -15.787 -0.216 1.209 1.00 0.00 C ATOM 604 NH1 ARG A 42 -16.268 -0.633 2.372 1.00 0.00 N ATOM 605 NH2 ARG A 42 -16.469 -0.443 0.094 1.00 0.00 N ATOM 0 H ARG A 42 -9.317 1.824 3.658 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.968 3.575 1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.604 1.383 3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.728 2.719 3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.816 2.281 1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.831 0.856 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.521 -0.219 2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.406 1.274 3.060 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.283 0.733 0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.746 -0.461 3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.160 -1.126 2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.101 -0.125 -0.803 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.361 -0.936 0.133 1.00 0.00 H new ATOM 619 N PHE A 43 -10.832 5.449 3.524 1.00 0.00 N ATOM 620 CA PHE A 43 -10.767 6.586 4.436 1.00 0.00 C ATOM 621 C PHE A 43 -12.117 7.291 4.522 1.00 0.00 C ATOM 622 O PHE A 43 -12.625 7.806 3.527 1.00 0.00 O ATOM 623 CB PHE A 43 -9.691 7.573 3.978 1.00 0.00 C ATOM 624 CG PHE A 43 -9.661 7.779 2.490 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.192 6.783 1.649 1.00 0.00 C ATOM 626 CD2 PHE A 43 -10.101 8.970 1.934 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.163 6.970 0.280 1.00 0.00 C ATOM 628 CE2 PHE A 43 -10.074 9.161 0.565 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.604 8.161 -0.263 1.00 0.00 C ATOM 0 H PHE A 43 -10.980 5.700 2.546 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.509 6.212 5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.858 8.533 4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.716 7.214 4.307 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.845 5.850 2.068 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.469 9.756 2.576 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.796 6.185 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.421 10.093 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.581 8.310 -1.332 1.00 0.00 H new ATOM 639 N GLY A 44 -12.693 7.310 5.720 1.00 0.00 N ATOM 640 CA GLY A 44 -13.979 7.953 5.914 1.00 0.00 C ATOM 641 C GLY A 44 -13.957 8.963 7.045 1.00 0.00 C ATOM 642 O GLY A 44 -13.052 8.952 7.879 1.00 0.00 O ATOM 0 H GLY A 44 -12.292 6.892 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.275 8.452 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.733 7.194 6.123 1.00 0.00 H new ATOM 646 N VAL A 45 -14.957 9.839 7.074 1.00 0.00 N ATOM 647 CA VAL A 45 -15.048 10.860 8.110 1.00 0.00 C ATOM 648 C VAL A 45 -15.736 10.317 9.358 1.00 0.00 C ATOM 649 O VAL A 45 -16.939 10.052 9.368 1.00 0.00 O ATOM 650 CB VAL A 45 -15.817 12.099 7.612 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.867 13.167 8.693 1.00 0.00 C ATOM 652 CG2 VAL A 45 -15.181 12.643 6.342 1.00 0.00 C ATOM 0 H VAL A 45 -15.715 9.862 6.392 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.027 11.150 8.358 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.840 11.803 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.414 14.034 8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.371 12.769 9.574 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.852 13.464 8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.736 13.518 6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.148 12.925 6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -15.203 11.877 5.567 1.00 0.00 H new ATOM 662 N PRO A 46 -14.957 10.146 10.436 1.00 0.00 N ATOM 663 CA PRO A 46 -15.470 9.634 11.710 1.00 0.00 C ATOM 664 C PRO A 46 -16.387 10.632 12.409 1.00 0.00 C ATOM 665 O PRO A 46 -15.930 11.646 12.937 1.00 0.00 O ATOM 666 CB PRO A 46 -14.202 9.403 12.536 1.00 0.00 C ATOM 667 CG PRO A 46 -13.200 10.344 11.962 1.00 0.00 C ATOM 668 CD PRO A 46 -13.515 10.441 10.495 1.00 0.00 C ATOM 0 HA PRO A 46 -16.076 8.738 11.575 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.376 9.606 13.593 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.863 8.370 12.461 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.264 11.321 12.440 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.186 9.978 12.120 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.291 11.432 10.100 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.934 9.727 9.911 1.00 0.00 H new ATOM 676 N SER A 47 -17.683 10.337 12.410 1.00 0.00 N ATOM 677 CA SER A 47 -18.665 11.211 13.041 1.00 0.00 C ATOM 678 C SER A 47 -19.001 10.723 14.447 1.00 0.00 C ATOM 679 O SER A 47 -19.295 9.549 14.671 1.00 0.00 O ATOM 680 CB SER A 47 -19.938 11.279 12.195 1.00 0.00 C ATOM 681 OG SER A 47 -20.596 10.024 12.162 1.00 0.00 O ATOM 0 H SER A 47 -18.077 9.500 11.981 1.00 0.00 H new ATOM 0 HA SER A 47 -18.233 12.209 13.114 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.609 12.035 12.603 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.688 11.589 11.180 1.00 0.00 H new ATOM 0 HG SER A 47 -20.277 9.468 12.903 1.00 0.00 H new ATOM 687 N PRO A 48 -18.957 11.647 15.419 1.00 0.00 N ATOM 688 CA PRO A 48 -19.255 11.336 16.821 1.00 0.00 C ATOM 689 C PRO A 48 -20.731 11.027 17.046 1.00 0.00 C ATOM 690 O PRO A 48 -21.569 11.299 16.186 1.00 0.00 O ATOM 691 CB PRO A 48 -18.857 12.616 17.560 1.00 0.00 C ATOM 692 CG PRO A 48 -18.979 13.695 16.541 1.00 0.00 C ATOM 693 CD PRO A 48 -18.615 13.065 15.225 1.00 0.00 C ATOM 0 HA PRO A 48 -18.724 10.447 17.163 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -19.511 12.801 18.412 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -17.840 12.550 17.947 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -19.993 14.095 16.515 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -18.314 14.527 16.772 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -19.176 13.504 14.400 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -17.557 13.195 14.996 1.00 0.00 H new ATOM 701 N SER A 49 -21.042 10.459 18.206 1.00 0.00 N ATOM 702 CA SER A 49 -22.417 10.111 18.543 1.00 0.00 C ATOM 703 C SER A 49 -23.011 11.123 19.517 1.00 0.00 C ATOM 704 O SER A 49 -23.994 10.840 20.203 1.00 0.00 O ATOM 705 CB SER A 49 -22.477 8.707 19.148 1.00 0.00 C ATOM 706 OG SER A 49 -21.919 8.689 20.451 1.00 0.00 O ATOM 0 H SER A 49 -20.360 10.230 18.929 1.00 0.00 H new ATOM 0 HA SER A 49 -23.005 10.129 17.625 1.00 0.00 H new ATOM 0 HB2 SER A 49 -23.512 8.369 19.188 1.00 0.00 H new ATOM 0 HB3 SER A 49 -21.938 8.009 18.508 1.00 0.00 H new ATOM 0 HG SER A 49 -21.971 7.781 20.817 1.00 0.00 H new ATOM 712 N THR A 50 -22.407 12.306 19.574 1.00 0.00 N ATOM 713 CA THR A 50 -22.873 13.361 20.464 1.00 0.00 C ATOM 714 C THR A 50 -23.401 14.553 19.675 1.00 0.00 C ATOM 715 O THR A 50 -24.247 15.307 20.159 1.00 0.00 O ATOM 716 CB THR A 50 -21.751 13.839 21.406 1.00 0.00 C ATOM 717 OG1 THR A 50 -20.693 14.430 20.645 1.00 0.00 O ATOM 718 CG2 THR A 50 -21.206 12.681 22.229 1.00 0.00 C ATOM 0 H THR A 50 -21.593 12.557 19.013 1.00 0.00 H new ATOM 0 HA THR A 50 -23.681 12.937 21.060 1.00 0.00 H new ATOM 0 HB THR A 50 -22.168 14.582 22.086 1.00 0.00 H new ATOM 0 HG1 THR A 50 -19.984 14.733 21.250 1.00 0.00 H new ATOM 0 HG21 THR A 50 -20.415 13.042 22.886 1.00 0.00 H new ATOM 0 HG22 THR A 50 -22.008 12.251 22.829 1.00 0.00 H new ATOM 0 HG23 THR A 50 -20.803 11.919 21.562 1.00 0.00 H new ATOM 726 N LEU A 51 -22.898 14.720 18.457 1.00 0.00 N ATOM 727 CA LEU A 51 -23.320 15.821 17.599 1.00 0.00 C ATOM 728 C LEU A 51 -24.359 15.355 16.584 1.00 0.00 C ATOM 729 O LEU A 51 -24.411 14.176 16.233 1.00 0.00 O ATOM 730 CB LEU A 51 -22.114 16.419 16.872 1.00 0.00 C ATOM 731 CG LEU A 51 -22.217 17.900 16.506 1.00 0.00 C ATOM 732 CD1 LEU A 51 -21.910 18.771 17.714 1.00 0.00 C ATOM 733 CD2 LEU A 51 -21.278 18.231 15.355 1.00 0.00 C ATOM 0 H LEU A 51 -22.197 14.107 18.041 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.773 16.586 18.230 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.233 16.281 17.498 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.948 15.850 15.957 1.00 0.00 H new ATOM 0 HG LEU A 51 -23.239 18.105 16.186 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -21.988 19.822 17.434 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -22.622 18.553 18.510 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -20.899 18.563 18.065 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -21.364 19.289 15.108 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -20.252 18.009 15.647 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -21.545 17.632 14.484 1.00 0.00 H new ATOM 745 N GLU A 52 -25.183 16.287 16.116 1.00 0.00 N ATOM 746 CA GLU A 52 -26.220 15.970 15.141 1.00 0.00 C ATOM 747 C GLU A 52 -25.628 15.846 13.740 1.00 0.00 C ATOM 748 O GLU A 52 -24.704 16.566 13.362 1.00 0.00 O ATOM 749 CB GLU A 52 -27.308 17.045 15.153 1.00 0.00 C ATOM 750 CG GLU A 52 -27.702 17.497 16.550 1.00 0.00 C ATOM 751 CD GLU A 52 -26.817 18.612 17.073 1.00 0.00 C ATOM 752 OE1 GLU A 52 -26.308 19.402 16.251 1.00 0.00 O ATOM 753 OE2 GLU A 52 -26.634 18.695 18.306 1.00 0.00 O ATOM 0 H GLU A 52 -25.153 17.267 16.396 1.00 0.00 H new ATOM 0 HA GLU A 52 -26.662 15.013 15.417 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -26.960 17.908 14.586 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -28.191 16.662 14.642 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -28.738 17.835 16.540 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -27.650 16.647 17.231 1.00 0.00 H new ATOM 760 N PRO A 53 -26.173 14.909 12.950 1.00 0.00 N ATOM 761 CA PRO A 53 -25.716 14.667 11.578 1.00 0.00 C ATOM 762 C PRO A 53 -26.077 15.810 10.636 1.00 0.00 C ATOM 763 O PRO A 53 -27.128 16.436 10.778 1.00 0.00 O ATOM 764 CB PRO A 53 -26.458 13.389 11.177 1.00 0.00 C ATOM 765 CG PRO A 53 -27.677 13.375 12.033 1.00 0.00 C ATOM 766 CD PRO A 53 -27.277 14.014 13.334 1.00 0.00 C ATOM 0 HA PRO A 53 -24.631 14.583 11.519 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -26.718 13.397 10.118 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -25.844 12.505 11.348 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -28.491 13.926 11.562 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -28.031 12.356 12.191 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -28.104 14.565 13.782 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -26.956 13.271 14.065 1.00 0.00 H new ATOM 774 N HIS A 54 -25.199 16.078 9.675 1.00 0.00 N ATOM 775 CA HIS A 54 -25.426 17.147 8.708 1.00 0.00 C ATOM 776 C HIS A 54 -25.917 16.582 7.379 1.00 0.00 C ATOM 777 O HIS A 54 -25.472 15.528 6.922 1.00 0.00 O ATOM 778 CB HIS A 54 -24.143 17.949 8.492 1.00 0.00 C ATOM 779 CG HIS A 54 -23.784 18.827 9.651 1.00 0.00 C ATOM 780 ND1 HIS A 54 -23.784 20.205 9.581 1.00 0.00 N ATOM 781 CD2 HIS A 54 -23.412 18.517 10.915 1.00 0.00 C ATOM 782 CE1 HIS A 54 -23.427 20.703 10.751 1.00 0.00 C ATOM 783 NE2 HIS A 54 -23.196 19.700 11.578 1.00 0.00 N ATOM 0 H HIS A 54 -24.324 15.570 9.545 1.00 0.00 H new ATOM 0 HA HIS A 54 -26.195 17.808 9.108 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -23.321 17.259 8.301 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -24.255 18.566 7.600 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -23.305 17.524 11.326 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -23.339 21.752 10.991 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -22.904 19.789 12.551 1.00 0.00 H new ATOM 792 N PRO A 55 -26.856 17.297 6.741 1.00 0.00 N ATOM 793 CA PRO A 55 -27.427 16.885 5.456 1.00 0.00 C ATOM 794 C PRO A 55 -26.425 17.000 4.312 1.00 0.00 C ATOM 795 O PRO A 55 -26.758 16.749 3.154 1.00 0.00 O ATOM 796 CB PRO A 55 -28.585 17.866 5.252 1.00 0.00 C ATOM 797 CG PRO A 55 -28.205 19.070 6.041 1.00 0.00 C ATOM 798 CD PRO A 55 -27.432 18.562 7.227 1.00 0.00 C ATOM 0 HA PRO A 55 -27.732 15.839 5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -28.717 18.109 4.198 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -29.527 17.444 5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -27.600 19.752 5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -29.089 19.623 6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -26.657 19.265 7.533 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -28.078 18.404 8.090 1.00 0.00 H new ATOM 806 N ARG A 56 -25.196 17.381 4.645 1.00 0.00 N ATOM 807 CA ARG A 56 -24.145 17.530 3.646 1.00 0.00 C ATOM 808 C ARG A 56 -23.738 16.173 3.079 1.00 0.00 C ATOM 809 O ARG A 56 -23.611 15.184 3.801 1.00 0.00 O ATOM 810 CB ARG A 56 -22.927 18.226 4.256 1.00 0.00 C ATOM 811 CG ARG A 56 -22.343 17.494 5.453 1.00 0.00 C ATOM 812 CD ARG A 56 -21.147 18.236 6.030 1.00 0.00 C ATOM 813 NE ARG A 56 -21.470 19.620 6.363 1.00 0.00 N ATOM 814 CZ ARG A 56 -20.628 20.444 6.978 1.00 0.00 C ATOM 815 NH1 ARG A 56 -19.420 20.024 7.325 1.00 0.00 N ATOM 816 NH2 ARG A 56 -20.995 21.690 7.247 1.00 0.00 N ATOM 0 H ARG A 56 -24.904 17.592 5.599 1.00 0.00 H new ATOM 0 HA ARG A 56 -24.535 18.142 2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -22.157 18.327 3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -23.209 19.234 4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -23.108 17.382 6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -22.041 16.490 5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -20.798 17.720 6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -20.328 18.218 5.311 1.00 0.00 H new ATOM 0 HE ARG A 56 -22.392 19.974 6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -19.135 19.066 7.120 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.776 20.658 7.797 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -21.924 22.016 6.982 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -20.348 22.322 7.719 1.00 0.00 H new ATOM 830 N PRO A 57 -23.529 16.124 1.755 1.00 0.00 N ATOM 831 CA PRO A 57 -23.133 14.894 1.061 1.00 0.00 C ATOM 832 C PRO A 57 -21.708 14.470 1.401 1.00 0.00 C ATOM 833 O PRO A 57 -20.782 15.280 1.359 1.00 0.00 O ATOM 834 CB PRO A 57 -23.240 15.272 -0.418 1.00 0.00 C ATOM 835 CG PRO A 57 -23.061 16.750 -0.446 1.00 0.00 C ATOM 836 CD PRO A 57 -23.662 17.264 0.833 1.00 0.00 C ATOM 0 HA PRO A 57 -23.757 14.046 1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -22.476 14.770 -1.011 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -24.206 14.982 -0.832 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -22.006 17.014 -0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -23.556 17.187 -1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -23.132 18.143 1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -24.704 17.553 0.699 1.00 0.00 H new ATOM 844 N LEU A 58 -21.540 13.196 1.737 1.00 0.00 N ATOM 845 CA LEU A 58 -20.227 12.663 2.084 1.00 0.00 C ATOM 846 C LEU A 58 -19.804 11.575 1.103 1.00 0.00 C ATOM 847 O LEU A 58 -20.283 10.442 1.172 1.00 0.00 O ATOM 848 CB LEU A 58 -20.241 12.104 3.508 1.00 0.00 C ATOM 849 CG LEU A 58 -21.421 11.198 3.862 1.00 0.00 C ATOM 850 CD1 LEU A 58 -21.017 10.185 4.922 1.00 0.00 C ATOM 851 CD2 LEU A 58 -22.606 12.027 4.337 1.00 0.00 C ATOM 0 H LEU A 58 -22.296 12.513 1.777 1.00 0.00 H new ATOM 0 HA LEU A 58 -19.505 13.478 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.319 11.545 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -20.230 12.941 4.206 1.00 0.00 H new ATOM 0 HG LEU A 58 -21.719 10.655 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.869 9.549 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.200 9.570 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.692 10.709 5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -23.437 11.366 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.320 12.597 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -22.911 12.712 3.546 1.00 0.00 H new ATOM 863 N LEU A 59 -18.904 11.925 0.190 1.00 0.00 N ATOM 864 CA LEU A 59 -18.415 10.977 -0.804 1.00 0.00 C ATOM 865 C LEU A 59 -17.201 10.216 -0.281 1.00 0.00 C ATOM 866 O LEU A 59 -16.234 10.818 0.187 1.00 0.00 O ATOM 867 CB LEU A 59 -18.054 11.707 -2.099 1.00 0.00 C ATOM 868 CG LEU A 59 -17.821 10.824 -3.326 1.00 0.00 C ATOM 869 CD1 LEU A 59 -19.147 10.341 -3.894 1.00 0.00 C ATOM 870 CD2 LEU A 59 -17.028 11.578 -4.383 1.00 0.00 C ATOM 0 H LEU A 59 -18.499 12.858 0.118 1.00 0.00 H new ATOM 0 HA LEU A 59 -19.210 10.260 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -18.853 12.412 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.153 12.294 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 59 -17.241 9.953 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -18.962 9.714 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -19.678 9.763 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -19.752 11.199 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.872 10.934 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -17.580 12.467 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.063 11.874 -3.972 1.00 0.00 H new ATOM 882 N GLN A 60 -17.257 8.891 -0.365 1.00 0.00 N ATOM 883 CA GLN A 60 -16.161 8.049 0.099 1.00 0.00 C ATOM 884 C GLN A 60 -15.279 7.612 -1.066 1.00 0.00 C ATOM 885 O GLN A 60 -15.720 7.587 -2.215 1.00 0.00 O ATOM 886 CB GLN A 60 -16.708 6.821 0.829 1.00 0.00 C ATOM 887 CG GLN A 60 -17.366 5.807 -0.093 1.00 0.00 C ATOM 888 CD GLN A 60 -18.844 6.074 -0.293 1.00 0.00 C ATOM 889 OE1 GLN A 60 -19.230 7.070 -0.906 1.00 0.00 O ATOM 890 NE2 GLN A 60 -19.682 5.183 0.224 1.00 0.00 N ATOM 0 H GLN A 60 -18.050 8.377 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 60 -15.554 8.634 0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.893 6.336 1.367 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -17.433 7.146 1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -16.864 5.822 -1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -17.234 4.807 0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -19.319 4.372 0.725 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -20.689 5.310 0.121 1.00 0.00 H new ATOM 899 N ARG A 61 -14.032 7.268 -0.761 1.00 0.00 N ATOM 900 CA ARG A 61 -13.088 6.834 -1.784 1.00 0.00 C ATOM 901 C ARG A 61 -12.145 5.767 -1.234 1.00 0.00 C ATOM 902 O ARG A 61 -12.205 5.421 -0.055 1.00 0.00 O ATOM 903 CB ARG A 61 -12.281 8.025 -2.302 1.00 0.00 C ATOM 904 CG ARG A 61 -13.131 9.088 -2.979 1.00 0.00 C ATOM 905 CD ARG A 61 -12.435 10.440 -2.980 1.00 0.00 C ATOM 906 NE ARG A 61 -11.422 10.533 -4.027 1.00 0.00 N ATOM 907 CZ ARG A 61 -10.499 11.487 -4.074 1.00 0.00 C ATOM 908 NH1 ARG A 61 -10.461 12.425 -3.137 1.00 0.00 N ATOM 909 NH2 ARG A 61 -9.610 11.504 -5.059 1.00 0.00 N ATOM 0 H ARG A 61 -13.652 7.281 0.186 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.656 6.403 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.743 8.478 -1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.532 7.666 -3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.344 8.786 -4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.089 9.171 -2.466 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.175 11.228 -3.120 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.969 10.609 -2.009 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.423 9.827 -4.763 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.142 12.415 -2.378 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.751 13.156 -3.176 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.635 10.784 -5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.902 12.237 -5.094 1.00 0.00 H new ATOM 923 N GLU A 62 -11.276 5.252 -2.098 1.00 0.00 N ATOM 924 CA GLU A 62 -10.321 4.224 -1.699 1.00 0.00 C ATOM 925 C GLU A 62 -9.136 4.180 -2.659 1.00 0.00 C ATOM 926 O GLU A 62 -9.236 4.615 -3.807 1.00 0.00 O ATOM 927 CB GLU A 62 -11.003 2.855 -1.649 1.00 0.00 C ATOM 928 CG GLU A 62 -11.586 2.417 -2.982 1.00 0.00 C ATOM 929 CD GLU A 62 -12.639 3.377 -3.502 1.00 0.00 C ATOM 930 OE1 GLU A 62 -13.582 3.689 -2.745 1.00 0.00 O ATOM 931 OE2 GLU A 62 -12.519 3.816 -4.665 1.00 0.00 O ATOM 0 H GLU A 62 -11.213 5.529 -3.078 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.951 4.474 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.280 2.110 -1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.799 2.882 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.784 2.332 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.025 1.425 -2.874 1.00 0.00 H new ATOM 938 N LEU A 63 -8.015 3.652 -2.181 1.00 0.00 N ATOM 939 CA LEU A 63 -6.809 3.551 -2.996 1.00 0.00 C ATOM 940 C LEU A 63 -6.544 2.104 -3.400 1.00 0.00 C ATOM 941 O LEU A 63 -6.976 1.171 -2.722 1.00 0.00 O ATOM 942 CB LEU A 63 -5.606 4.107 -2.233 1.00 0.00 C ATOM 943 CG LEU A 63 -4.437 4.597 -3.088 1.00 0.00 C ATOM 944 CD1 LEU A 63 -4.865 5.771 -3.955 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.257 4.985 -2.207 1.00 0.00 C ATOM 0 H LEU A 63 -7.916 3.287 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.962 4.140 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.947 4.934 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.238 3.332 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.125 3.783 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.020 6.106 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.678 5.461 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.204 6.588 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.434 5.331 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.557 5.783 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.934 4.119 -1.629 1.00 0.00 H new ATOM 957 N MET A 64 -5.830 1.925 -4.506 1.00 0.00 N ATOM 958 CA MET A 64 -5.505 0.591 -4.998 1.00 0.00 C ATOM 959 C MET A 64 -3.997 0.419 -5.149 1.00 0.00 C ATOM 960 O MET A 64 -3.376 1.035 -6.015 1.00 0.00 O ATOM 961 CB MET A 64 -6.196 0.336 -6.339 1.00 0.00 C ATOM 962 CG MET A 64 -6.539 -1.126 -6.578 1.00 0.00 C ATOM 963 SD MET A 64 -8.171 -1.567 -5.950 1.00 0.00 S ATOM 964 CE MET A 64 -7.741 -2.813 -4.737 1.00 0.00 C ATOM 0 H MET A 64 -5.465 2.686 -5.079 1.00 0.00 H new ATOM 0 HA MET A 64 -5.864 -0.135 -4.269 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.110 0.927 -6.385 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.549 0.685 -7.144 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.496 -1.335 -7.647 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.788 -1.755 -6.100 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.624 -3.404 -4.494 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.968 -3.465 -5.144 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.369 -2.329 -3.834 1.00 0.00 H new ATOM 974 N VAL A 65 -3.413 -0.421 -4.300 1.00 0.00 N ATOM 975 CA VAL A 65 -1.978 -0.673 -4.340 1.00 0.00 C ATOM 976 C VAL A 65 -1.680 -2.165 -4.244 1.00 0.00 C ATOM 977 O VAL A 65 -2.263 -2.890 -3.437 1.00 0.00 O ATOM 978 CB VAL A 65 -1.247 0.060 -3.199 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.165 0.435 -3.623 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.029 1.292 -2.771 1.00 0.00 C ATOM 0 H VAL A 65 -3.912 -0.938 -3.576 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.616 -0.294 -5.296 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.177 -0.613 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.666 0.952 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.721 -0.468 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.122 1.090 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.498 1.798 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.132 1.970 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.018 0.993 -2.423 1.00 0.00 H new ATOM 990 N PRO A 66 -0.749 -2.638 -5.086 1.00 0.00 N ATOM 991 CA PRO A 66 -0.350 -4.048 -5.115 1.00 0.00 C ATOM 992 C PRO A 66 0.429 -4.456 -3.869 1.00 0.00 C ATOM 993 O PRO A 66 1.082 -3.629 -3.234 1.00 0.00 O ATOM 994 CB PRO A 66 0.540 -4.140 -6.356 1.00 0.00 C ATOM 995 CG PRO A 66 1.072 -2.761 -6.544 1.00 0.00 C ATOM 996 CD PRO A 66 -0.013 -1.832 -6.074 1.00 0.00 C ATOM 0 HA PRO A 66 -1.212 -4.715 -5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.346 -4.859 -6.212 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.028 -4.467 -7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.987 -2.614 -5.971 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.318 -2.577 -7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.399 -0.927 -5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.657 -1.518 -6.896 1.00 0.00 H new ATOM 1004 N GLY A 67 0.356 -5.739 -3.524 1.00 0.00 N ATOM 1005 CA GLY A 67 1.060 -6.234 -2.356 1.00 0.00 C ATOM 1006 C GLY A 67 2.508 -5.788 -2.319 1.00 0.00 C ATOM 1007 O GLY A 67 3.032 -5.439 -1.261 1.00 0.00 O ATOM 0 H GLY A 67 -0.178 -6.443 -4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.553 -5.886 -1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.018 -7.323 -2.345 1.00 0.00 H new ATOM 1011 N THR A 68 3.159 -5.800 -3.478 1.00 0.00 N ATOM 1012 CA THR A 68 4.557 -5.397 -3.574 1.00 0.00 C ATOM 1013 C THR A 68 4.750 -3.964 -3.093 1.00 0.00 C ATOM 1014 O THR A 68 5.836 -3.588 -2.652 1.00 0.00 O ATOM 1015 CB THR A 68 5.077 -5.516 -5.019 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.433 -5.060 -5.090 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.214 -4.705 -5.974 1.00 0.00 C ATOM 0 H THR A 68 2.740 -6.084 -4.364 1.00 0.00 H new ATOM 0 HA THR A 68 5.126 -6.072 -2.934 1.00 0.00 H new ATOM 0 HB THR A 68 5.030 -6.564 -5.313 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.757 -5.140 -6.011 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.601 -4.805 -6.988 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.188 -5.073 -5.939 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.233 -3.656 -5.680 1.00 0.00 H new ATOM 1025 N ARG A 69 3.689 -3.168 -3.179 1.00 0.00 N ATOM 1026 CA ARG A 69 3.743 -1.775 -2.752 1.00 0.00 C ATOM 1027 C ARG A 69 2.876 -1.551 -1.516 1.00 0.00 C ATOM 1028 O ARG A 69 1.682 -1.851 -1.519 1.00 0.00 O ATOM 1029 CB ARG A 69 3.283 -0.854 -3.883 1.00 0.00 C ATOM 1030 CG ARG A 69 4.420 -0.336 -4.748 1.00 0.00 C ATOM 1031 CD ARG A 69 3.903 0.508 -5.902 1.00 0.00 C ATOM 1032 NE ARG A 69 4.990 1.099 -6.678 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.825 1.641 -7.880 1.00 0.00 C ATOM 1034 NH1 ARG A 69 3.624 1.667 -8.440 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.864 2.158 -8.524 1.00 0.00 N ATOM 0 H ARG A 69 2.782 -3.464 -3.540 1.00 0.00 H new ATOM 0 HA ARG A 69 4.777 -1.539 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.575 -1.392 -4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.748 -0.006 -3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.101 0.258 -4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.993 -1.177 -5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.286 -0.109 -6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.263 1.300 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 69 5.927 1.096 -6.275 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.823 1.270 -7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.500 2.084 -9.363 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.790 2.139 -8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.737 2.574 -9.447 1.00 0.00 H new ATOM 1049 N HIS A 70 3.486 -1.023 -0.459 1.00 0.00 N ATOM 1050 CA HIS A 70 2.771 -0.760 0.784 1.00 0.00 C ATOM 1051 C HIS A 70 2.763 0.733 1.101 1.00 0.00 C ATOM 1052 O HIS A 70 3.383 1.175 2.068 1.00 0.00 O ATOM 1053 CB HIS A 70 3.408 -1.534 1.938 1.00 0.00 C ATOM 1054 CG HIS A 70 3.736 -2.955 1.597 1.00 0.00 C ATOM 1055 ND1 HIS A 70 4.935 -3.336 1.032 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.015 -4.091 1.746 1.00 0.00 C ATOM 1057 CE1 HIS A 70 4.936 -4.644 0.846 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.782 -5.126 1.271 1.00 0.00 N ATOM 0 H HIS A 70 4.474 -0.769 -0.439 1.00 0.00 H new ATOM 0 HA HIS A 70 1.741 -1.093 0.658 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.320 -1.023 2.247 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.730 -1.521 2.791 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.701 -2.706 0.795 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.021 -4.169 2.161 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.743 -5.221 0.419 1.00 0.00 H new ATOM 1067 N SER A 71 2.059 1.504 0.278 1.00 0.00 N ATOM 1068 CA SER A 71 1.975 2.947 0.468 1.00 0.00 C ATOM 1069 C SER A 71 0.573 3.456 0.144 1.00 0.00 C ATOM 1070 O SER A 71 -0.174 2.821 -0.600 1.00 0.00 O ATOM 1071 CB SER A 71 3.004 3.659 -0.412 1.00 0.00 C ATOM 1072 OG SER A 71 2.643 3.587 -1.780 1.00 0.00 O ATOM 0 H SER A 71 1.539 1.153 -0.526 1.00 0.00 H new ATOM 0 HA SER A 71 2.190 3.165 1.514 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.086 4.703 -0.109 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.985 3.207 -0.267 1.00 0.00 H new ATOM 0 HG SER A 71 3.316 4.051 -2.321 1.00 0.00 H new ATOM 1078 N ALA A 72 0.224 4.608 0.709 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.086 5.205 0.480 1.00 0.00 C ATOM 1080 C ALA A 72 -1.077 6.692 0.815 1.00 0.00 C ATOM 1081 O ALA A 72 -0.768 7.084 1.940 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.145 4.483 1.300 1.00 0.00 C ATOM 0 H ALA A 72 0.830 5.146 1.328 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.327 5.099 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.118 4.939 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.177 3.433 1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.899 4.559 2.359 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.418 7.518 -0.170 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.450 8.963 0.021 1.00 0.00 C ATOM 1090 C VAL A 73 -2.832 9.527 -0.288 1.00 0.00 C ATOM 1091 O VAL A 73 -3.258 9.559 -1.444 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.409 9.669 -0.868 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.730 11.151 -0.991 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.992 9.463 -0.312 1.00 0.00 C ATOM 0 H VAL A 73 -1.676 7.211 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.210 9.150 1.068 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.448 9.229 -1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.016 11.634 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.717 11.274 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.719 11.609 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.715 9.968 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.048 9.876 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.218 8.397 -0.280 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.529 9.973 0.751 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.865 10.538 0.592 1.00 0.00 C ATOM 1106 C LEU A 74 -4.791 12.025 0.262 1.00 0.00 C ATOM 1107 O LEU A 74 -3.782 12.680 0.525 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.685 10.326 1.866 1.00 0.00 C ATOM 1109 CG LEU A 74 -6.048 8.879 2.198 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.383 8.108 0.930 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.912 8.202 2.951 1.00 0.00 C ATOM 0 H LEU A 74 -3.191 9.954 1.713 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.354 10.025 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.128 10.741 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.607 10.900 1.780 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.929 8.885 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.639 7.080 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.230 8.579 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.521 8.112 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.189 7.173 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.013 8.208 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.720 8.740 3.879 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.867 12.552 -0.314 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.924 13.962 -0.679 1.00 0.00 C ATOM 1125 C ARG A 75 -7.310 14.539 -0.404 1.00 0.00 C ATOM 1126 O ARG A 75 -8.204 13.835 0.066 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.569 14.143 -2.156 1.00 0.00 C ATOM 1128 CG ARG A 75 -4.076 14.074 -2.436 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.792 14.020 -3.929 1.00 0.00 C ATOM 1130 NE ARG A 75 -2.451 14.503 -4.248 1.00 0.00 N ATOM 1131 CZ ARG A 75 -1.811 14.205 -5.374 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.387 13.430 -6.282 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -0.593 14.683 -5.592 1.00 0.00 N ATOM 0 H ARG A 75 -6.710 12.024 -0.538 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.198 14.499 -0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.076 13.374 -2.740 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.950 15.105 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.583 14.943 -2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.654 13.193 -1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.902 12.995 -4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.530 14.621 -4.461 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.980 15.102 -3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.324 13.061 -6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.894 13.203 -7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.147 15.280 -4.895 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.102 14.454 -6.456 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.479 15.823 -0.699 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.756 16.495 -0.484 1.00 0.00 C ATOM 1149 C ASP A 76 -9.239 16.298 0.949 1.00 0.00 C ATOM 1150 O ASP A 76 -10.437 16.162 1.199 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.805 15.969 -1.466 1.00 0.00 C ATOM 1152 CG ASP A 76 -9.562 16.446 -2.884 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -8.714 15.843 -3.576 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -10.219 17.421 -3.302 1.00 0.00 O ATOM 0 H ASP A 76 -6.748 16.420 -1.087 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.611 17.562 -0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.802 14.879 -1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.795 16.291 -1.142 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.299 16.283 1.888 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.628 16.102 3.297 1.00 0.00 C ATOM 1161 C LEU A 77 -8.812 17.448 3.991 1.00 0.00 C ATOM 1162 O LEU A 77 -8.240 18.456 3.574 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.530 15.301 3.999 1.00 0.00 C ATOM 1164 CG LEU A 77 -7.049 14.044 3.273 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -6.170 13.203 4.186 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.233 13.231 2.772 1.00 0.00 C ATOM 0 H LEU A 77 -7.303 16.394 1.699 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.567 15.551 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.673 15.956 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.893 15.011 4.985 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.455 14.350 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.837 12.313 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.303 13.786 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.739 12.906 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.871 12.340 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.855 12.935 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.822 13.834 2.081 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.613 17.457 5.051 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.872 18.679 5.803 1.00 0.00 C ATOM 1180 C ARG A 78 -8.660 19.066 6.646 1.00 0.00 C ATOM 1181 O ARG A 78 -7.834 18.220 6.989 1.00 0.00 O ATOM 1182 CB ARG A 78 -11.095 18.500 6.703 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.837 19.796 6.988 1.00 0.00 C ATOM 1184 CD ARG A 78 -12.516 20.335 5.739 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.421 21.441 6.041 1.00 0.00 N ATOM 1186 CZ ARG A 78 -14.230 21.995 5.145 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -14.247 21.548 3.897 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -15.024 22.998 5.497 1.00 0.00 N ATOM 0 H ARG A 78 -10.094 16.632 5.409 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.068 19.480 5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.781 17.794 6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.779 18.057 7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.583 19.626 7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.139 20.539 7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.758 20.670 5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.073 19.533 5.255 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.432 21.808 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.638 20.777 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.869 21.975 3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.013 23.344 6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.645 23.423 4.808 1.00 0.00 H new ATOM 1202 N SER A 79 -8.560 20.350 6.975 1.00 0.00 N ATOM 1203 CA SER A 79 -7.446 20.850 7.773 1.00 0.00 C ATOM 1204 C SER A 79 -7.681 20.586 9.258 1.00 0.00 C ATOM 1205 O SER A 79 -8.812 20.642 9.739 1.00 0.00 O ATOM 1206 CB SER A 79 -7.252 22.349 7.534 1.00 0.00 C ATOM 1207 OG SER A 79 -8.382 23.085 7.970 1.00 0.00 O ATOM 0 H SER A 79 -9.236 21.063 6.702 1.00 0.00 H new ATOM 0 HA SER A 79 -6.544 20.321 7.466 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.364 22.693 8.064 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.082 22.532 6.473 1.00 0.00 H new ATOM 0 HG SER A 79 -8.233 24.040 7.808 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.602 20.298 9.979 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.710 20.029 11.401 1.00 0.00 C ATOM 1215 C GLY A 80 -7.882 19.127 11.733 1.00 0.00 C ATOM 1216 O GLY A 80 -8.717 19.464 12.573 1.00 0.00 O ATOM 0 H GLY A 80 -5.655 20.246 9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.788 19.565 11.751 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.817 20.971 11.939 1.00 0.00 H new ATOM 1220 N THR A 81 -7.947 17.976 11.071 1.00 0.00 N ATOM 1221 CA THR A 81 -9.027 17.024 11.298 1.00 0.00 C ATOM 1222 C THR A 81 -8.489 15.603 11.426 1.00 0.00 C ATOM 1223 O THR A 81 -7.459 15.263 10.841 1.00 0.00 O ATOM 1224 CB THR A 81 -10.063 17.068 10.160 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.482 18.418 9.930 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.272 16.207 10.495 1.00 0.00 C ATOM 0 H THR A 81 -7.264 17.681 10.373 1.00 0.00 H new ATOM 0 HA THR A 81 -9.511 17.312 12.231 1.00 0.00 H new ATOM 0 HB THR A 81 -9.595 16.675 9.258 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.698 18.978 9.750 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.990 16.254 9.676 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.954 15.175 10.640 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.739 16.575 11.409 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.191 14.776 12.193 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.784 13.390 12.397 1.00 0.00 C ATOM 1236 C LEU A 82 -9.501 12.463 11.421 1.00 0.00 C ATOM 1237 O LEU A 82 -10.729 12.371 11.424 1.00 0.00 O ATOM 1238 CB LEU A 82 -9.075 12.959 13.835 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.400 11.668 14.299 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -8.683 10.537 13.323 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.900 11.877 14.455 1.00 0.00 C ATOM 0 H LEU A 82 -10.045 15.041 12.684 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.712 13.321 12.214 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.771 13.765 14.503 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.153 12.842 13.947 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.812 11.394 15.270 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.195 9.626 13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.758 10.371 13.261 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.299 10.802 12.338 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.436 10.948 14.786 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.473 12.175 13.498 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.716 12.657 15.193 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.727 11.777 10.588 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.287 10.857 9.606 1.00 0.00 C ATOM 1255 C TYR A 83 -9.054 9.407 10.022 1.00 0.00 C ATOM 1256 O TYR A 83 -8.030 9.079 10.620 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.671 11.109 8.229 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.368 12.197 7.444 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.050 13.536 7.640 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.345 11.887 6.506 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.685 14.533 6.925 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -10.985 12.877 5.786 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.652 14.199 5.999 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.286 15.189 5.285 1.00 0.00 O ATOM 0 H TYR A 83 -7.709 11.841 10.573 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.361 11.033 9.553 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.622 11.377 8.353 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.697 10.184 7.654 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.294 13.801 8.364 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.609 10.853 6.337 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.426 15.568 7.090 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.742 12.618 5.060 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.938 14.786 4.675 1.00 0.00 H new ATOM 1274 N SER A 84 -10.012 8.544 9.699 1.00 0.00 N ATOM 1275 CA SER A 84 -9.914 7.130 10.041 1.00 0.00 C ATOM 1276 C SER A 84 -9.560 6.298 8.812 1.00 0.00 C ATOM 1277 O SER A 84 -10.374 6.137 7.902 1.00 0.00 O ATOM 1278 CB SER A 84 -11.231 6.637 10.644 1.00 0.00 C ATOM 1279 OG SER A 84 -11.167 5.254 10.945 1.00 0.00 O ATOM 0 H SER A 84 -10.865 8.799 9.201 1.00 0.00 H new ATOM 0 HA SER A 84 -9.120 7.013 10.778 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.453 7.200 11.551 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.047 6.823 9.945 1.00 0.00 H new ATOM 0 HG SER A 84 -12.020 4.963 11.330 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.341 5.770 8.794 1.00 0.00 N ATOM 1286 CA LEU A 85 -7.877 4.953 7.678 1.00 0.00 C ATOM 1287 C LEU A 85 -8.025 3.468 7.992 1.00 0.00 C ATOM 1288 O LEU A 85 -7.896 3.049 9.143 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.417 5.275 7.357 1.00 0.00 C ATOM 1290 CG LEU A 85 -5.989 6.729 7.563 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.497 6.811 7.848 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.348 7.568 6.346 1.00 0.00 C ATOM 0 H LEU A 85 -7.656 5.893 9.540 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.493 5.185 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.782 4.639 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.226 5.005 6.318 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.525 7.127 8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.211 7.853 7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.267 6.244 8.750 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.942 6.395 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.036 8.599 6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.840 7.171 5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.426 7.536 6.187 1.00 0.00 H new ATOM 1304 N THR A 86 -8.296 2.674 6.960 1.00 0.00 N ATOM 1305 CA THR A 86 -8.461 1.236 7.125 1.00 0.00 C ATOM 1306 C THR A 86 -8.058 0.488 5.860 1.00 0.00 C ATOM 1307 O THR A 86 -8.712 0.604 4.822 1.00 0.00 O ATOM 1308 CB THR A 86 -9.916 0.874 7.481 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.401 1.748 8.506 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.015 -0.570 7.949 1.00 0.00 C ATOM 0 H THR A 86 -8.406 3.004 6.001 1.00 0.00 H new ATOM 0 HA THR A 86 -7.809 0.935 7.945 1.00 0.00 H new ATOM 0 HB THR A 86 -10.526 0.991 6.586 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.369 1.864 8.406 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.051 -0.803 8.195 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.672 -1.234 7.155 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.392 -0.710 8.833 1.00 0.00 H new ATOM 1318 N LEU A 87 -6.979 -0.281 5.951 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.489 -1.050 4.812 1.00 0.00 C ATOM 1320 C LEU A 87 -7.052 -2.468 4.830 1.00 0.00 C ATOM 1321 O LEU A 87 -7.358 -3.012 5.891 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.960 -1.096 4.823 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.289 -1.417 3.487 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.246 -0.182 2.601 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.886 -1.963 3.712 1.00 0.00 C ATOM 0 H LEU A 87 -6.426 -0.389 6.802 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.825 -0.557 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.590 -0.131 5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.644 -1.840 5.554 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.878 -2.182 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.765 -0.430 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.262 0.166 2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.680 0.605 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.424 -2.186 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.287 -1.221 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.941 -2.874 4.308 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.184 -3.061 3.649 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.710 -4.415 3.528 1.00 0.00 C ATOM 1339 C TYR A 88 -6.810 -5.272 2.642 1.00 0.00 C ATOM 1340 O TYR A 88 -6.687 -5.029 1.443 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.128 -4.385 2.955 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.142 -3.753 3.882 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.746 -4.493 4.891 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.495 -2.416 3.750 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.673 -3.920 5.740 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.420 -1.834 4.595 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.007 -2.590 5.588 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.929 -2.015 6.432 1.00 0.00 O ATOM 0 H TYR A 88 -6.934 -2.625 2.761 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.737 -4.857 4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.119 -3.837 2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.441 -5.404 2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.486 -5.534 5.014 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.038 -1.821 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.134 -4.510 6.518 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.682 -0.793 4.479 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.050 -1.073 6.191 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.183 -6.278 3.245 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.303 -7.157 2.497 1.00 0.00 C ATOM 1360 C GLY A 89 -6.060 -8.066 1.549 1.00 0.00 C ATOM 1361 O GLY A 89 -6.320 -9.228 1.866 1.00 0.00 O ATOM 0 H GLY A 89 -6.269 -6.500 4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.592 -6.557 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.724 -7.764 3.193 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.417 -7.538 0.384 1.00 0.00 N ATOM 1366 CA LEU A 90 -7.150 -8.309 -0.614 1.00 0.00 C ATOM 1367 C LEU A 90 -6.306 -9.467 -1.135 1.00 0.00 C ATOM 1368 O LEU A 90 -5.357 -9.265 -1.892 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.572 -7.407 -1.775 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.847 -6.590 -1.562 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -10.017 -7.504 -1.230 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.643 -5.561 -0.460 1.00 0.00 C ATOM 0 H LEU A 90 -6.211 -6.578 0.107 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.041 -8.719 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.755 -6.718 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.706 -8.028 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.076 -6.062 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.916 -6.905 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.178 -8.202 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.797 -8.060 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.560 -4.989 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.389 -6.069 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.833 -4.886 -0.737 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.661 -10.681 -0.727 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.936 -11.873 -1.153 1.00 0.00 C ATOM 1386 C ARG A 91 -6.528 -12.436 -2.442 1.00 0.00 C ATOM 1387 O ARG A 91 -6.208 -13.552 -2.848 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.971 -12.937 -0.055 1.00 0.00 C ATOM 1389 CG ARG A 91 -7.373 -13.413 0.288 1.00 0.00 C ATOM 1390 CD ARG A 91 -7.797 -14.579 -0.592 1.00 0.00 C ATOM 1391 NE ARG A 91 -8.913 -15.322 -0.016 1.00 0.00 N ATOM 1392 CZ ARG A 91 -8.768 -16.280 0.894 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -7.559 -16.608 1.328 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -9.833 -16.911 1.371 1.00 0.00 N ATOM 0 H ARG A 91 -7.446 -10.865 -0.102 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.900 -11.591 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.373 -13.792 -0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.503 -12.535 0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.410 -13.714 1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.077 -12.590 0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.080 -14.206 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.951 -15.251 -0.736 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.857 -15.094 -0.329 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.738 -16.125 0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.450 -17.343 2.026 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.765 -16.661 1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.720 -17.646 2.069 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.395 -11.656 -3.080 1.00 0.00 N ATOM 1409 CA GLY A 92 -8.019 -12.094 -4.315 1.00 0.00 C ATOM 1410 C GLY A 92 -9.488 -11.729 -4.384 1.00 0.00 C ATOM 1411 O GLY A 92 -9.853 -10.570 -4.588 1.00 0.00 O ATOM 0 H GLY A 92 -7.677 -10.728 -2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.497 -11.647 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.912 -13.175 -4.409 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.361 -12.733 -4.213 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.813 -12.536 -4.255 1.00 0.00 C ATOM 1417 C PRO A 93 -12.326 -11.754 -3.050 1.00 0.00 C ATOM 1418 O PRO A 93 -13.115 -10.819 -3.194 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.365 -13.963 -4.241 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.304 -14.774 -3.580 1.00 0.00 C ATOM 1421 CD PRO A 93 -9.997 -14.138 -3.966 1.00 0.00 C ATOM 0 HA PRO A 93 -12.121 -11.954 -5.124 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.305 -14.018 -3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.564 -14.320 -5.251 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.432 -14.777 -2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.345 -15.813 -3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.256 -14.227 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.570 -14.604 -4.854 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.874 -12.143 -1.862 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.287 -11.477 -0.631 1.00 0.00 C ATOM 1431 C HIS A 94 -11.074 -11.005 0.165 1.00 0.00 C ATOM 1432 O HIS A 94 -9.966 -11.513 -0.012 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.137 -12.419 0.222 1.00 0.00 C ATOM 1434 CG HIS A 94 -14.269 -13.050 -0.529 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -15.474 -12.416 -0.747 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -14.374 -14.266 -1.115 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -16.271 -13.215 -1.433 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -15.627 -14.344 -1.670 1.00 0.00 N ATOM 0 H HIS A 94 -11.222 -12.915 -1.725 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.883 -10.605 -0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -12.499 -13.204 0.628 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.539 -11.865 1.070 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.613 -15.032 -1.141 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -17.278 -12.985 -1.747 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.000 -15.143 -2.182 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.291 -10.031 1.041 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.217 -9.490 1.865 1.00 0.00 C ATOM 1449 C LYS A 95 -9.676 -10.550 2.819 1.00 0.00 C ATOM 1450 O LYS A 95 -10.419 -11.409 3.293 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.715 -8.280 2.660 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.459 -7.261 1.814 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.511 -6.524 2.625 1.00 0.00 C ATOM 1454 CE LYS A 95 -12.752 -5.123 2.084 1.00 0.00 C ATOM 1455 NZ LYS A 95 -13.565 -5.142 0.837 1.00 0.00 N ATOM 0 H LYS A 95 -12.202 -9.600 1.199 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.410 -9.175 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.372 -8.626 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.864 -7.793 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.750 -6.544 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.934 -7.764 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.444 -7.087 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.193 -6.463 3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.260 -4.524 2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.795 -4.641 1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.707 -4.168 0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.068 -5.692 0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.488 -5.579 1.031 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.378 -10.482 3.098 1.00 0.00 N ATOM 1470 CA ALA A 96 -7.740 -11.434 3.998 1.00 0.00 C ATOM 1471 C ALA A 96 -7.596 -10.853 5.400 1.00 0.00 C ATOM 1472 O ALA A 96 -7.849 -11.534 6.394 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.380 -11.845 3.453 1.00 0.00 C ATOM 0 H ALA A 96 -7.748 -9.778 2.714 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.376 -12.317 4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.914 -12.556 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.505 -12.309 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.745 -10.964 3.358 1.00 0.00 H new ATOM 1479 N ASP A 97 -7.188 -9.591 5.473 1.00 0.00 N ATOM 1480 CA ASP A 97 -7.011 -8.917 6.754 1.00 0.00 C ATOM 1481 C ASP A 97 -7.515 -7.478 6.686 1.00 0.00 C ATOM 1482 O ASP A 97 -7.930 -7.005 5.628 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.538 -8.936 7.165 1.00 0.00 C ATOM 1484 CG ASP A 97 -5.353 -8.791 8.663 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -6.239 -9.245 9.417 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -4.322 -8.225 9.081 1.00 0.00 O ATOM 0 H ASP A 97 -6.974 -9.014 4.660 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.596 -9.452 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.084 -9.870 6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.012 -8.128 6.657 1.00 0.00 H new ATOM 1491 N SER A 98 -7.476 -6.789 7.822 1.00 0.00 N ATOM 1492 CA SER A 98 -7.933 -5.406 7.892 1.00 0.00 C ATOM 1493 C SER A 98 -7.290 -4.681 9.070 1.00 0.00 C ATOM 1494 O SER A 98 -7.460 -5.075 10.224 1.00 0.00 O ATOM 1495 CB SER A 98 -9.457 -5.356 8.019 1.00 0.00 C ATOM 1496 OG SER A 98 -9.891 -5.983 9.213 1.00 0.00 O ATOM 0 H SER A 98 -7.133 -7.165 8.706 1.00 0.00 H new ATOM 0 HA SER A 98 -7.635 -4.904 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.792 -4.319 8.007 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.913 -5.848 7.160 1.00 0.00 H new ATOM 0 HG SER A 98 -9.232 -5.829 9.922 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.550 -3.618 8.770 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.882 -2.837 9.803 1.00 0.00 C ATOM 1504 C ILE A 99 -6.473 -1.434 9.900 1.00 0.00 C ATOM 1505 O ILE A 99 -7.127 -0.961 8.971 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.369 -2.726 9.536 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.627 -2.366 10.824 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -4.097 -1.693 8.454 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.124 -2.501 10.714 1.00 0.00 C ATOM 0 H ILE A 99 -6.398 -3.279 7.820 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.039 -3.362 10.745 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.004 -3.692 9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.872 -1.341 11.100 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.983 -3.007 11.630 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.024 -1.626 8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.599 -1.990 7.533 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.473 -0.722 8.776 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.664 -2.230 11.664 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.868 -3.532 10.468 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.756 -1.839 9.930 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.237 -0.775 11.030 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.745 0.574 11.248 1.00 0.00 C ATOM 1523 C GLN A 100 -5.601 1.559 11.463 1.00 0.00 C ATOM 1524 O GLN A 100 -4.662 1.282 12.208 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.688 0.599 12.452 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.145 0.361 12.089 1.00 0.00 C ATOM 1527 CD GLN A 100 -9.760 1.531 11.347 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.116 2.562 11.148 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -11.012 1.378 10.932 1.00 0.00 N ATOM 0 H GLN A 100 -5.697 -1.153 11.808 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.297 0.875 10.357 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.372 -0.161 13.167 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.600 1.563 12.952 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.220 -0.535 11.473 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.716 0.172 12.998 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.508 0.507 11.119 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.477 2.132 10.427 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.685 2.710 10.803 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.650 3.719 10.935 1.00 0.00 C ATOM 1540 C GLY A 101 -5.218 5.108 11.148 1.00 0.00 C ATOM 1541 O GLY A 101 -5.869 5.663 10.262 1.00 0.00 O ATOM 0 H GLY A 101 -6.452 2.962 10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.002 3.463 11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.029 3.717 10.039 1.00 0.00 H new ATOM 1545 N THR A 102 -4.972 5.673 12.326 1.00 0.00 N ATOM 1546 CA THR A 102 -5.466 7.004 12.653 1.00 0.00 C ATOM 1547 C THR A 102 -4.382 8.057 12.450 1.00 0.00 C ATOM 1548 O THR A 102 -3.213 7.826 12.756 1.00 0.00 O ATOM 1549 CB THR A 102 -5.969 7.075 14.107 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.019 6.460 14.985 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.317 6.386 14.248 1.00 0.00 C ATOM 0 H THR A 102 -4.433 5.229 13.070 1.00 0.00 H new ATOM 0 HA THR A 102 -6.298 7.207 11.979 1.00 0.00 H new ATOM 0 HB THR A 102 -6.086 8.125 14.376 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.346 6.511 15.908 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.651 6.449 15.283 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.045 6.875 13.601 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.222 5.339 13.961 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.779 9.215 11.932 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.842 10.305 11.691 1.00 0.00 C ATOM 1561 C ALA A 103 -4.553 11.654 11.703 1.00 0.00 C ATOM 1562 O ALA A 103 -5.710 11.760 11.296 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.121 10.098 10.367 1.00 0.00 C ATOM 0 H ALA A 103 -5.743 9.422 11.671 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.108 10.304 12.496 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.424 10.919 10.200 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.572 9.157 10.395 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.849 10.069 9.557 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.854 12.682 12.173 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.420 14.024 12.240 1.00 0.00 C ATOM 1571 C ARG A 104 -3.709 14.963 11.270 1.00 0.00 C ATOM 1572 O ARG A 104 -2.505 15.197 11.384 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.320 14.573 13.665 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.366 15.627 13.986 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.259 16.096 15.429 1.00 0.00 C ATOM 1576 NE ARG A 104 -4.029 16.843 15.673 1.00 0.00 N ATOM 1577 CZ ARG A 104 -2.872 16.271 15.988 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -2.788 14.953 16.096 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -1.795 17.019 16.194 1.00 0.00 N ATOM 0 H ARG A 104 -2.895 12.611 12.513 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.470 13.963 11.955 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.419 13.748 14.371 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.328 15.001 13.812 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.245 16.478 13.316 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.361 15.220 13.807 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.117 16.723 15.671 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -5.297 15.233 16.094 1.00 0.00 H new ATOM 0 HE ARG A 104 -4.059 17.860 15.598 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.613 14.375 15.937 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.898 14.517 16.338 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.855 18.034 16.111 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.907 16.579 16.436 1.00 0.00 H new ATOM 1593 N THR A 105 -4.462 15.500 10.315 1.00 0.00 N ATOM 1594 CA THR A 105 -3.904 16.412 9.324 1.00 0.00 C ATOM 1595 C THR A 105 -3.444 17.713 9.972 1.00 0.00 C ATOM 1596 O THR A 105 -3.853 18.042 11.086 1.00 0.00 O ATOM 1597 CB THR A 105 -4.927 16.735 8.219 1.00 0.00 C ATOM 1598 OG1 THR A 105 -6.254 16.702 8.755 1.00 0.00 O ATOM 1599 CG2 THR A 105 -4.814 15.744 7.070 1.00 0.00 C ATOM 0 H THR A 105 -5.460 15.319 10.207 1.00 0.00 H new ATOM 0 HA THR A 105 -3.046 15.908 8.878 1.00 0.00 H new ATOM 0 HB THR A 105 -4.714 17.734 7.838 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.853 17.220 8.178 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.546 15.992 6.302 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.812 15.793 6.645 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.003 14.736 7.439 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.593 18.450 9.267 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.078 19.718 9.774 1.00 0.00 C ATOM 1609 C LEU A 106 -2.956 20.881 9.323 1.00 0.00 C ATOM 1610 O LEU A 106 -3.469 20.887 8.204 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.641 19.934 9.297 1.00 0.00 C ATOM 1612 CG LEU A 106 0.339 18.795 9.583 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.693 19.085 8.953 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.482 18.578 11.082 1.00 0.00 C ATOM 0 H LEU A 106 -2.245 18.192 8.344 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.091 19.678 10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.659 20.110 8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.257 20.842 9.762 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.057 17.881 9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.377 18.264 9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.577 19.189 7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.096 20.010 9.366 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.183 17.764 11.267 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.855 19.490 11.548 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.489 18.324 11.507 1.00 0.00 H new ATOM 1626 N SER A 107 -3.121 21.866 10.200 1.00 0.00 N ATOM 1627 CA SER A 107 -3.937 23.034 9.893 1.00 0.00 C ATOM 1628 C SER A 107 -3.345 23.820 8.727 1.00 0.00 C ATOM 1629 O SER A 107 -4.041 24.150 7.768 1.00 0.00 O ATOM 1630 CB SER A 107 -4.057 23.937 11.123 1.00 0.00 C ATOM 1631 OG SER A 107 -5.149 24.831 10.995 1.00 0.00 O ATOM 0 H SER A 107 -2.700 21.878 11.129 1.00 0.00 H new ATOM 0 HA SER A 107 -4.930 22.687 9.607 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.187 23.325 12.016 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.134 24.502 11.255 1.00 0.00 H new ATOM 0 HG SER A 107 -5.205 25.395 11.794 1.00 0.00 H new ATOM 1637 N GLY A 108 -2.052 24.117 8.819 1.00 0.00 N ATOM 1638 CA GLY A 108 -1.386 24.862 7.766 1.00 0.00 C ATOM 1639 C GLY A 108 -0.706 26.114 8.283 1.00 0.00 C ATOM 1640 O GLY A 108 -1.284 26.892 9.042 1.00 0.00 O ATOM 0 H GLY A 108 -1.454 23.855 9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.646 24.223 7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.114 25.136 7.003 1.00 0.00 H new ATOM 1644 N PRO A 109 0.554 26.322 7.870 1.00 0.00 N ATOM 1645 CA PRO A 109 1.341 27.486 8.285 1.00 0.00 C ATOM 1646 C PRO A 109 0.822 28.784 7.674 1.00 0.00 C ATOM 1647 O PRO A 109 1.168 29.875 8.126 1.00 0.00 O ATOM 1648 CB PRO A 109 2.744 27.171 7.760 1.00 0.00 C ATOM 1649 CG PRO A 109 2.521 26.248 6.612 1.00 0.00 C ATOM 1650 CD PRO A 109 1.305 25.436 6.965 1.00 0.00 C ATOM 0 HA PRO A 109 1.300 27.643 9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.261 28.077 7.445 1.00 0.00 H new ATOM 0 HB3 PRO A 109 3.359 26.704 8.529 1.00 0.00 H new ATOM 0 HG2 PRO A 109 2.364 26.805 5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.387 25.605 6.454 1.00 0.00 H new ATOM 0 HD2 PRO A 109 0.723 25.179 6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 109 1.575 24.499 7.452 1.00 0.00 H new ATOM 1658 N SER A 110 -0.009 28.658 6.645 1.00 0.00 N ATOM 1659 CA SER A 110 -0.573 29.821 5.970 1.00 0.00 C ATOM 1660 C SER A 110 -1.047 30.859 6.982 1.00 0.00 C ATOM 1661 O SER A 110 -1.848 30.558 7.868 1.00 0.00 O ATOM 1662 CB SER A 110 -1.736 29.401 5.070 1.00 0.00 C ATOM 1663 OG SER A 110 -2.835 28.942 5.837 1.00 0.00 O ATOM 0 H SER A 110 -0.307 27.762 6.260 1.00 0.00 H new ATOM 0 HA SER A 110 0.209 30.268 5.356 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.046 30.245 4.454 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.408 28.614 4.391 1.00 0.00 H new ATOM 0 HG SER A 110 -2.781 29.316 6.741 1.00 0.00 H new ATOM 1669 N SER A 111 -0.548 32.083 6.844 1.00 0.00 N ATOM 1670 CA SER A 111 -0.917 33.166 7.748 1.00 0.00 C ATOM 1671 C SER A 111 -1.588 34.304 6.986 1.00 0.00 C ATOM 1672 O SER A 111 -1.109 34.732 5.937 1.00 0.00 O ATOM 1673 CB SER A 111 0.319 33.688 8.483 1.00 0.00 C ATOM 1674 OG SER A 111 0.939 32.658 9.233 1.00 0.00 O ATOM 0 H SER A 111 0.113 32.350 6.115 1.00 0.00 H new ATOM 0 HA SER A 111 -1.625 32.773 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.029 34.096 7.763 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.034 34.504 9.147 1.00 0.00 H new ATOM 0 HG SER A 111 0.993 31.845 8.689 1.00 0.00 H new ATOM 1680 N GLY A 112 -2.703 34.791 7.523 1.00 0.00 N ATOM 1681 CA GLY A 112 -3.423 35.876 6.881 1.00 0.00 C ATOM 1682 C GLY A 112 -2.560 37.105 6.678 1.00 0.00 C ATOM 1683 O GLY A 112 -2.265 37.829 7.628 1.00 0.00 O ATOM 0 H GLY A 112 -3.120 34.454 8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -3.800 35.537 5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.290 36.141 7.486 1.00 0.00 H new TER 1687 GLY A 112