USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 435 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 39 THR OG1 : rot -92:sc= 0.963 USER MOD Set 1.2: A 45 THR OG1 : rot -65:sc= -3.27! USER MOD Set 2.1: A 14 ASN : amide:sc= -0.246 X(o=0.16,f=0.64) USER MOD Set 2.2: A 29 TYR OH : rot -48:sc= 0.408 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0363 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc=-0.00581 X(o=-0.0058,f=-0.13) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc=-0.00835 K(o=-0.0084,f=-1.2!) USER MOD Single : A 16 MET CE :methyl -157:sc= -1.15 (180deg=-2.5) USER MOD Single : A 18 HIS : no HD1:sc= -0.509 K(o=-0.51,f=-1.4!) USER MOD Single : A 19 GLN : amide:sc= -0.0189 K(o=-0.019,f=-1.9!) USER MOD Single : A 21 GLN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 23 MET CE :methyl -107:sc= -0.603 (180deg=-2.95!) USER MOD Single : A 26 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.079) USER MOD Single : A 30 HIS : no HE2:sc= -10.5! C(o=-10!,f=-8.5!) USER MOD Single : A 34 GLN : amide:sc= -2.69! K(o=-2.7!,f=-1.2) USER MOD Single : A 37 GLN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 41 SER OG : rot 58:sc= 1.28 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0394 USER MOD Single : A 48 ASN : amide:sc= -5.21! K(o=-5.2!,f=-2.4) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.463 -16.563 -7.702 1.00 0.00 N ATOM 2 CA GLY A 1 -1.539 -16.694 -6.735 1.00 0.00 C ATOM 3 C GLY A 1 -1.894 -18.164 -6.505 1.00 0.00 C ATOM 4 O GLY A 1 -1.024 -19.032 -6.557 1.00 0.00 O ATOM 0 H1 GLY A 1 0.243 -15.887 -7.347 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.013 -17.489 -7.848 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.848 -16.219 -8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.242 -16.236 -5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.418 -16.155 -7.089 1.00 0.00 H new ATOM 8 N SER A 2 -3.174 -18.399 -6.256 1.00 0.00 N ATOM 9 CA SER A 2 -3.655 -19.750 -6.018 1.00 0.00 C ATOM 10 C SER A 2 -4.998 -19.959 -6.721 1.00 0.00 C ATOM 11 O SER A 2 -5.135 -20.858 -7.549 1.00 0.00 O ATOM 12 CB SER A 2 -3.791 -20.030 -4.520 1.00 0.00 C ATOM 13 OG SER A 2 -3.930 -21.422 -4.248 1.00 0.00 O ATOM 0 H SER A 2 -3.893 -17.677 -6.214 1.00 0.00 H new ATOM 0 HA SER A 2 -2.926 -20.450 -6.426 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.915 -19.644 -3.998 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.657 -19.496 -4.128 1.00 0.00 H new ATOM 0 HG SER A 2 -4.012 -21.560 -3.281 1.00 0.00 H new ATOM 19 N SER A 3 -5.953 -19.113 -6.366 1.00 0.00 N ATOM 20 CA SER A 3 -7.280 -19.194 -6.952 1.00 0.00 C ATOM 21 C SER A 3 -7.968 -17.828 -6.882 1.00 0.00 C ATOM 22 O SER A 3 -7.778 -17.083 -5.922 1.00 0.00 O ATOM 23 CB SER A 3 -8.130 -20.253 -6.248 1.00 0.00 C ATOM 24 OG SER A 3 -8.272 -19.985 -4.856 1.00 0.00 O ATOM 0 H SER A 3 -5.834 -18.368 -5.680 1.00 0.00 H new ATOM 0 HA SER A 3 -7.175 -19.488 -7.996 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.116 -20.294 -6.712 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.673 -21.233 -6.384 1.00 0.00 H new ATOM 0 HG SER A 3 -8.823 -20.683 -4.443 1.00 0.00 H new ATOM 30 N GLY A 4 -8.752 -17.543 -7.911 1.00 0.00 N ATOM 31 CA GLY A 4 -9.469 -16.280 -7.977 1.00 0.00 C ATOM 32 C GLY A 4 -10.909 -16.441 -7.486 1.00 0.00 C ATOM 33 O GLY A 4 -11.298 -15.838 -6.486 1.00 0.00 O ATOM 0 H GLY A 4 -8.907 -18.164 -8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.955 -15.534 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.470 -15.911 -9.003 1.00 0.00 H new ATOM 37 N SER A 5 -11.660 -17.256 -8.211 1.00 0.00 N ATOM 38 CA SER A 5 -13.049 -17.503 -7.861 1.00 0.00 C ATOM 39 C SER A 5 -13.871 -16.226 -8.047 1.00 0.00 C ATOM 40 O SER A 5 -13.433 -15.141 -7.667 1.00 0.00 O ATOM 41 CB SER A 5 -13.172 -18.009 -6.422 1.00 0.00 C ATOM 42 OG SER A 5 -14.183 -19.005 -6.292 1.00 0.00 O ATOM 0 H SER A 5 -11.334 -17.754 -9.039 1.00 0.00 H new ATOM 0 HA SER A 5 -13.437 -18.276 -8.524 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.215 -18.419 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.400 -17.172 -5.762 1.00 0.00 H new ATOM 0 HG SER A 5 -14.230 -19.304 -5.360 1.00 0.00 H new ATOM 48 N SER A 6 -15.048 -16.397 -8.631 1.00 0.00 N ATOM 49 CA SER A 6 -15.934 -15.272 -8.871 1.00 0.00 C ATOM 50 C SER A 6 -17.080 -15.282 -7.857 1.00 0.00 C ATOM 51 O SER A 6 -18.154 -15.815 -8.134 1.00 0.00 O ATOM 52 CB SER A 6 -16.487 -15.302 -10.298 1.00 0.00 C ATOM 53 OG SER A 6 -16.927 -14.016 -10.727 1.00 0.00 O ATOM 0 H SER A 6 -15.408 -17.298 -8.945 1.00 0.00 H new ATOM 0 HA SER A 6 -15.360 -14.353 -8.751 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.717 -15.667 -10.978 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.318 -16.006 -10.350 1.00 0.00 H new ATOM 0 HG SER A 6 -17.271 -14.077 -11.643 1.00 0.00 H new ATOM 59 N GLY A 7 -16.813 -14.688 -6.704 1.00 0.00 N ATOM 60 CA GLY A 7 -17.808 -14.622 -5.647 1.00 0.00 C ATOM 61 C GLY A 7 -18.020 -13.180 -5.183 1.00 0.00 C ATOM 62 O GLY A 7 -19.036 -12.564 -5.503 1.00 0.00 O ATOM 0 H GLY A 7 -15.921 -14.248 -6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.751 -15.035 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.490 -15.236 -4.804 1.00 0.00 H new ATOM 66 N ALA A 8 -17.046 -12.683 -4.436 1.00 0.00 N ATOM 67 CA ALA A 8 -17.113 -11.325 -3.924 1.00 0.00 C ATOM 68 C ALA A 8 -16.631 -10.353 -5.003 1.00 0.00 C ATOM 69 O ALA A 8 -15.943 -10.754 -5.941 1.00 0.00 O ATOM 70 CB ALA A 8 -16.291 -11.222 -2.638 1.00 0.00 C ATOM 0 H ALA A 8 -16.205 -13.197 -4.173 1.00 0.00 H new ATOM 0 HA ALA A 8 -18.141 -11.059 -3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.342 -10.203 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.692 -11.910 -1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.253 -11.479 -2.848 1.00 0.00 H new ATOM 76 N SER A 9 -17.010 -9.095 -4.835 1.00 0.00 N ATOM 77 CA SER A 9 -16.625 -8.064 -5.783 1.00 0.00 C ATOM 78 C SER A 9 -16.493 -6.718 -5.067 1.00 0.00 C ATOM 79 O SER A 9 -17.459 -5.962 -4.975 1.00 0.00 O ATOM 80 CB SER A 9 -17.637 -7.960 -6.925 1.00 0.00 C ATOM 81 OG SER A 9 -17.469 -6.763 -7.680 1.00 0.00 O ATOM 0 H SER A 9 -17.580 -8.766 -4.056 1.00 0.00 H new ATOM 0 HA SER A 9 -15.661 -8.337 -6.212 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.530 -8.822 -7.584 1.00 0.00 H new ATOM 0 HB3 SER A 9 -18.648 -7.993 -6.518 1.00 0.00 H new ATOM 0 HG SER A 9 -18.133 -6.735 -8.400 1.00 0.00 H new ATOM 87 N ASN A 10 -15.288 -6.460 -4.578 1.00 0.00 N ATOM 88 CA ASN A 10 -15.017 -5.219 -3.873 1.00 0.00 C ATOM 89 C ASN A 10 -13.550 -5.193 -3.441 1.00 0.00 C ATOM 90 O ASN A 10 -13.068 -6.131 -2.808 1.00 0.00 O ATOM 91 CB ASN A 10 -15.882 -5.099 -2.617 1.00 0.00 C ATOM 92 CG ASN A 10 -16.868 -3.936 -2.739 1.00 0.00 C ATOM 93 OD1 ASN A 10 -18.064 -4.117 -2.901 1.00 0.00 O ATOM 94 ND2 ASN A 10 -16.303 -2.735 -2.653 1.00 0.00 N ATOM 0 H ASN A 10 -14.489 -7.089 -4.656 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.243 -4.392 -4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.429 -6.028 -2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.245 -4.950 -1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.877 -1.895 -2.723 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.295 -2.654 -2.517 1.00 0.00 H new ATOM 101 N SER A 11 -12.879 -4.108 -3.801 1.00 0.00 N ATOM 102 CA SER A 11 -11.476 -3.947 -3.459 1.00 0.00 C ATOM 103 C SER A 11 -11.227 -2.536 -2.923 1.00 0.00 C ATOM 104 O SER A 11 -10.890 -1.630 -3.684 1.00 0.00 O ATOM 105 CB SER A 11 -10.579 -4.223 -4.667 1.00 0.00 C ATOM 106 OG SER A 11 -10.088 -5.560 -4.674 1.00 0.00 O ATOM 0 H SER A 11 -13.281 -3.332 -4.326 1.00 0.00 H new ATOM 0 HA SER A 11 -11.227 -4.672 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.139 -4.038 -5.584 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.739 -3.529 -4.661 1.00 0.00 H new ATOM 0 HG SER A 11 -9.521 -5.696 -5.462 1.00 0.00 H new ATOM 112 N GLN A 12 -11.402 -2.394 -1.618 1.00 0.00 N ATOM 113 CA GLN A 12 -11.199 -1.108 -0.971 1.00 0.00 C ATOM 114 C GLN A 12 -9.709 -0.765 -0.927 1.00 0.00 C ATOM 115 O GLN A 12 -9.334 0.402 -1.029 1.00 0.00 O ATOM 116 CB GLN A 12 -11.806 -1.099 0.433 1.00 0.00 C ATOM 117 CG GLN A 12 -12.983 -0.125 0.515 1.00 0.00 C ATOM 118 CD GLN A 12 -13.758 -0.310 1.822 1.00 0.00 C ATOM 119 OE1 GLN A 12 -13.738 -1.361 2.441 1.00 0.00 O ATOM 120 NE2 GLN A 12 -14.440 0.766 2.204 1.00 0.00 N ATOM 0 H GLN A 12 -11.682 -3.148 -0.990 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.710 -0.344 -1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.141 -2.103 0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.045 -0.817 1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.617 0.900 0.447 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.650 -0.283 -0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.413 1.614 1.638 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.990 0.743 3.063 1.00 0.00 H new ATOM 129 N LEU A 13 -8.900 -1.803 -0.775 1.00 0.00 N ATOM 130 CA LEU A 13 -7.459 -1.625 -0.716 1.00 0.00 C ATOM 131 C LEU A 13 -6.989 -0.882 -1.967 1.00 0.00 C ATOM 132 O LEU A 13 -6.018 -0.129 -1.919 1.00 0.00 O ATOM 133 CB LEU A 13 -6.762 -2.971 -0.502 1.00 0.00 C ATOM 134 CG LEU A 13 -6.850 -3.555 0.910 1.00 0.00 C ATOM 135 CD1 LEU A 13 -7.224 -5.038 0.867 1.00 0.00 C ATOM 136 CD2 LEU A 13 -5.553 -3.313 1.685 1.00 0.00 C ATOM 0 H LEU A 13 -9.215 -2.770 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.186 -1.010 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.187 -3.693 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.710 -2.858 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.646 -3.037 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.280 -5.429 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.192 -5.155 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.467 -5.588 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.642 -3.738 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.723 -3.787 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.369 -2.241 1.761 1.00 0.00 H new ATOM 148 N ASN A 14 -7.700 -1.119 -3.060 1.00 0.00 N ATOM 149 CA ASN A 14 -7.368 -0.481 -4.322 1.00 0.00 C ATOM 150 C ASN A 14 -7.297 1.034 -4.120 1.00 0.00 C ATOM 151 O ASN A 14 -6.273 1.654 -4.403 1.00 0.00 O ATOM 152 CB ASN A 14 -8.435 -0.767 -5.381 1.00 0.00 C ATOM 153 CG ASN A 14 -7.797 -1.256 -6.683 1.00 0.00 C ATOM 154 OD1 ASN A 14 -7.666 -2.443 -6.933 1.00 0.00 O ATOM 155 ND2 ASN A 14 -7.410 -0.278 -7.497 1.00 0.00 N ATOM 0 H ASN A 14 -8.505 -1.744 -3.097 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.410 -0.878 -4.658 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.131 -1.519 -5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.014 0.136 -5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.974 -0.502 -8.392 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.549 0.696 -7.227 1.00 0.00 H new ATOM 162 N ALA A 15 -8.398 1.586 -3.632 1.00 0.00 N ATOM 163 CA ALA A 15 -8.473 3.017 -3.388 1.00 0.00 C ATOM 164 C ALA A 15 -7.259 3.454 -2.567 1.00 0.00 C ATOM 165 O ALA A 15 -6.438 4.240 -3.036 1.00 0.00 O ATOM 166 CB ALA A 15 -9.796 3.348 -2.695 1.00 0.00 C ATOM 0 H ALA A 15 -9.246 1.069 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.451 3.569 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.852 4.421 -2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.627 3.044 -3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.853 2.815 -1.746 1.00 0.00 H new ATOM 172 N MET A 16 -7.184 2.926 -1.354 1.00 0.00 N ATOM 173 CA MET A 16 -6.084 3.252 -0.462 1.00 0.00 C ATOM 174 C MET A 16 -4.772 3.388 -1.238 1.00 0.00 C ATOM 175 O MET A 16 -4.130 4.437 -1.201 1.00 0.00 O ATOM 176 CB MET A 16 -5.941 2.156 0.595 1.00 0.00 C ATOM 177 CG MET A 16 -6.991 2.317 1.697 1.00 0.00 C ATOM 178 SD MET A 16 -7.887 0.789 1.914 1.00 0.00 S ATOM 179 CE MET A 16 -6.708 -0.125 2.893 1.00 0.00 C ATOM 0 H MET A 16 -7.867 2.275 -0.968 1.00 0.00 H new ATOM 0 HA MET A 16 -6.301 4.206 0.019 1.00 0.00 H new ATOM 0 HB2 MET A 16 -6.047 1.178 0.126 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.943 2.194 1.031 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.508 2.601 2.632 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.682 3.120 1.438 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.894 -1.193 2.782 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.698 0.105 2.554 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.811 0.155 3.941 1.00 0.00 H new ATOM 189 N ALA A 17 -4.411 2.311 -1.920 1.00 0.00 N ATOM 190 CA ALA A 17 -3.187 2.297 -2.703 1.00 0.00 C ATOM 191 C ALA A 17 -3.100 3.581 -3.531 1.00 0.00 C ATOM 192 O ALA A 17 -2.138 4.337 -3.410 1.00 0.00 O ATOM 193 CB ALA A 17 -3.152 1.039 -3.573 1.00 0.00 C ATOM 0 H ALA A 17 -4.945 1.442 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.315 2.267 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.234 1.028 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.186 0.155 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.012 1.036 -4.243 1.00 0.00 H new ATOM 199 N HIS A 18 -4.119 3.787 -4.353 1.00 0.00 N ATOM 200 CA HIS A 18 -4.170 4.966 -5.200 1.00 0.00 C ATOM 201 C HIS A 18 -3.855 6.210 -4.367 1.00 0.00 C ATOM 202 O HIS A 18 -2.841 6.870 -4.590 1.00 0.00 O ATOM 203 CB HIS A 18 -5.516 5.060 -5.920 1.00 0.00 C ATOM 204 CG HIS A 18 -5.966 6.474 -6.199 1.00 0.00 C ATOM 205 ND1 HIS A 18 -5.132 7.431 -6.751 1.00 0.00 N ATOM 206 CD2 HIS A 18 -7.171 7.082 -5.999 1.00 0.00 C ATOM 207 CE1 HIS A 18 -5.814 8.560 -6.871 1.00 0.00 C ATOM 208 NE2 HIS A 18 -7.077 8.342 -6.404 1.00 0.00 N ATOM 0 H HIS A 18 -4.915 3.157 -4.450 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.412 4.891 -5.979 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.450 4.518 -6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.274 4.561 -5.317 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.052 6.617 -5.582 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.436 9.490 -7.269 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.826 9.034 -6.371 1.00 0.00 H new ATOM 216 N GLN A 19 -4.743 6.493 -3.426 1.00 0.00 N ATOM 217 CA GLN A 19 -4.572 7.647 -2.559 1.00 0.00 C ATOM 218 C GLN A 19 -3.098 7.817 -2.186 1.00 0.00 C ATOM 219 O GLN A 19 -2.577 8.931 -2.194 1.00 0.00 O ATOM 220 CB GLN A 19 -5.444 7.525 -1.307 1.00 0.00 C ATOM 221 CG GLN A 19 -6.874 7.991 -1.588 1.00 0.00 C ATOM 222 CD GLN A 19 -7.002 9.505 -1.410 1.00 0.00 C ATOM 223 OE1 GLN A 19 -6.106 10.271 -1.724 1.00 0.00 O ATOM 224 NE2 GLN A 19 -8.164 9.893 -0.891 1.00 0.00 N ATOM 0 H GLN A 19 -5.583 5.944 -3.245 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.894 8.536 -3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.455 6.490 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.015 8.121 -0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.157 7.715 -2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.565 7.482 -0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.872 9.199 -0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.347 10.884 -0.734 1.00 0.00 H new ATOM 233 N ILE A 20 -2.468 6.696 -1.867 1.00 0.00 N ATOM 234 CA ILE A 20 -1.064 6.707 -1.492 1.00 0.00 C ATOM 235 C ILE A 20 -0.213 7.003 -2.729 1.00 0.00 C ATOM 236 O ILE A 20 0.650 7.878 -2.698 1.00 0.00 O ATOM 237 CB ILE A 20 -0.688 5.405 -0.784 1.00 0.00 C ATOM 238 CG1 ILE A 20 -1.611 5.143 0.408 1.00 0.00 C ATOM 239 CG2 ILE A 20 0.787 5.407 -0.377 1.00 0.00 C ATOM 240 CD1 ILE A 20 -1.804 3.642 0.633 1.00 0.00 C ATOM 0 H ILE A 20 -2.904 5.774 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.868 7.502 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.827 4.583 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.190 5.598 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.578 5.616 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.027 4.469 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.409 5.513 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.976 6.240 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.464 3.484 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.247 3.195 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.838 3.177 0.830 1.00 0.00 H new ATOM 252 N GLN A 21 -0.485 6.255 -3.788 1.00 0.00 N ATOM 253 CA GLN A 21 0.245 6.426 -5.032 1.00 0.00 C ATOM 254 C GLN A 21 0.446 7.913 -5.330 1.00 0.00 C ATOM 255 O GLN A 21 1.528 8.325 -5.747 1.00 0.00 O ATOM 256 CB GLN A 21 -0.473 5.727 -6.189 1.00 0.00 C ATOM 257 CG GLN A 21 0.512 5.350 -7.298 1.00 0.00 C ATOM 258 CD GLN A 21 0.026 5.854 -8.658 1.00 0.00 C ATOM 259 OE1 GLN A 21 -1.034 5.490 -9.141 1.00 0.00 O ATOM 260 NE2 GLN A 21 0.857 6.708 -9.248 1.00 0.00 N ATOM 0 H GLN A 21 -1.201 5.529 -3.810 1.00 0.00 H new ATOM 0 HA GLN A 21 1.225 5.962 -4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.974 4.831 -5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.246 6.382 -6.591 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.492 5.774 -7.078 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.633 4.267 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.729 6.971 -8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.623 7.100 -10.160 1.00 0.00 H new ATOM 269 N GLU A 22 -0.612 8.677 -5.104 1.00 0.00 N ATOM 270 CA GLU A 22 -0.565 10.110 -5.343 1.00 0.00 C ATOM 271 C GLU A 22 0.556 10.749 -4.520 1.00 0.00 C ATOM 272 O GLU A 22 1.511 11.287 -5.078 1.00 0.00 O ATOM 273 CB GLU A 22 -1.913 10.762 -5.032 1.00 0.00 C ATOM 274 CG GLU A 22 -2.921 10.499 -6.152 1.00 0.00 C ATOM 275 CD GLU A 22 -2.984 11.681 -7.122 1.00 0.00 C ATOM 276 OE1 GLU A 22 -1.905 12.253 -7.391 1.00 0.00 O ATOM 277 OE2 GLU A 22 -4.109 11.986 -7.573 1.00 0.00 O ATOM 0 H GLU A 22 -1.507 8.331 -4.758 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.354 10.276 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.301 10.373 -4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.780 11.836 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.641 9.595 -6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.908 10.322 -5.724 1.00 0.00 H new ATOM 284 N MET A 23 0.403 10.667 -3.207 1.00 0.00 N ATOM 285 CA MET A 23 1.390 11.231 -2.302 1.00 0.00 C ATOM 286 C MET A 23 2.757 10.574 -2.504 1.00 0.00 C ATOM 287 O MET A 23 3.782 11.254 -2.504 1.00 0.00 O ATOM 288 CB MET A 23 0.933 11.025 -0.856 1.00 0.00 C ATOM 289 CG MET A 23 -0.071 12.102 -0.440 1.00 0.00 C ATOM 290 SD MET A 23 0.233 12.600 1.247 1.00 0.00 S ATOM 291 CE MET A 23 -0.364 11.155 2.109 1.00 0.00 C ATOM 0 H MET A 23 -0.390 10.218 -2.748 1.00 0.00 H new ATOM 0 HA MET A 23 1.484 12.296 -2.514 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.479 10.040 -0.751 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.796 11.051 -0.191 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.012 12.963 -1.103 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.087 11.721 -0.538 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.314 11.386 2.592 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.507 10.341 1.399 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.363 10.855 2.864 1.00 0.00 H new ATOM 301 N PHE A 24 2.728 9.260 -2.671 1.00 0.00 N ATOM 302 CA PHE A 24 3.952 8.504 -2.874 1.00 0.00 C ATOM 303 C PHE A 24 3.861 7.642 -4.135 1.00 0.00 C ATOM 304 O PHE A 24 3.632 6.437 -4.052 1.00 0.00 O ATOM 305 CB PHE A 24 4.120 7.591 -1.658 1.00 0.00 C ATOM 306 CG PHE A 24 3.950 8.305 -0.315 1.00 0.00 C ATOM 307 CD1 PHE A 24 2.724 8.752 0.067 1.00 0.00 C ATOM 308 CD2 PHE A 24 5.025 8.493 0.496 1.00 0.00 C ATOM 309 CE1 PHE A 24 2.566 9.414 1.313 1.00 0.00 C ATOM 310 CE2 PHE A 24 4.868 9.155 1.742 1.00 0.00 C ATOM 311 CZ PHE A 24 3.641 9.602 2.124 1.00 0.00 C ATOM 0 H PHE A 24 1.876 8.699 -2.670 1.00 0.00 H new ATOM 0 HA PHE A 24 4.795 9.185 -2.992 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.393 6.781 -1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.109 7.135 -1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.870 8.603 -0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.999 8.139 0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.592 9.768 1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.722 9.304 2.386 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.521 10.106 3.072 1.00 0.00 H new ATOM 321 N PRO A 25 4.052 8.312 -5.303 1.00 0.00 N ATOM 322 CA PRO A 25 3.994 7.621 -6.580 1.00 0.00 C ATOM 323 C PRO A 25 5.258 6.789 -6.811 1.00 0.00 C ATOM 324 O PRO A 25 5.198 5.714 -7.406 1.00 0.00 O ATOM 325 CB PRO A 25 3.809 8.719 -7.614 1.00 0.00 C ATOM 326 CG PRO A 25 4.235 10.009 -6.932 1.00 0.00 C ATOM 327 CD PRO A 25 4.326 9.739 -5.439 1.00 0.00 C ATOM 0 HA PRO A 25 3.177 6.902 -6.632 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.414 8.527 -8.500 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.771 8.775 -7.943 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.197 10.345 -7.318 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.516 10.803 -7.133 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.313 9.992 -5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.602 10.336 -4.884 1.00 0.00 H new ATOM 335 N GLN A 26 6.372 7.318 -6.327 1.00 0.00 N ATOM 336 CA GLN A 26 7.648 6.637 -6.473 1.00 0.00 C ATOM 337 C GLN A 26 7.480 5.136 -6.227 1.00 0.00 C ATOM 338 O GLN A 26 8.093 4.320 -6.913 1.00 0.00 O ATOM 339 CB GLN A 26 8.697 7.233 -5.532 1.00 0.00 C ATOM 340 CG GLN A 26 8.186 7.265 -4.090 1.00 0.00 C ATOM 341 CD GLN A 26 9.330 7.527 -3.109 1.00 0.00 C ATOM 342 OE1 GLN A 26 10.214 8.333 -3.346 1.00 0.00 O ATOM 343 NE2 GLN A 26 9.264 6.802 -1.996 1.00 0.00 N ATOM 0 H GLN A 26 6.418 8.210 -5.834 1.00 0.00 H new ATOM 0 HA GLN A 26 8.000 6.780 -7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.613 6.645 -5.584 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.948 8.243 -5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.428 8.041 -3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.706 6.317 -3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.496 6.145 -1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.981 6.903 -1.278 1.00 0.00 H new ATOM 352 N VAL A 27 6.647 4.819 -5.247 1.00 0.00 N ATOM 353 CA VAL A 27 6.391 3.431 -4.903 1.00 0.00 C ATOM 354 C VAL A 27 5.370 2.847 -5.881 1.00 0.00 C ATOM 355 O VAL A 27 4.421 3.526 -6.272 1.00 0.00 O ATOM 356 CB VAL A 27 5.947 3.327 -3.443 1.00 0.00 C ATOM 357 CG1 VAL A 27 4.693 4.166 -3.190 1.00 0.00 C ATOM 358 CG2 VAL A 27 5.721 1.868 -3.041 1.00 0.00 C ATOM 0 H VAL A 27 6.141 5.499 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 27 7.303 2.841 -4.994 1.00 0.00 H new ATOM 0 HB VAL A 27 6.748 3.726 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.399 4.074 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.902 5.211 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.883 3.811 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.406 1.822 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.947 1.432 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.648 1.309 -3.165 1.00 0.00 H new ATOM 368 N PRO A 28 5.604 1.562 -6.259 1.00 0.00 N ATOM 369 CA PRO A 28 4.716 0.879 -7.184 1.00 0.00 C ATOM 370 C PRO A 28 3.412 0.475 -6.494 1.00 0.00 C ATOM 371 O PRO A 28 3.357 0.381 -5.269 1.00 0.00 O ATOM 372 CB PRO A 28 5.514 -0.311 -7.690 1.00 0.00 C ATOM 373 CG PRO A 28 6.639 -0.515 -6.689 1.00 0.00 C ATOM 374 CD PRO A 28 6.718 0.727 -5.817 1.00 0.00 C ATOM 0 HA PRO A 28 4.404 1.513 -8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.887 -1.200 -7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.909 -0.120 -8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.451 -1.398 -6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.585 -0.679 -7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.629 0.475 -4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.672 1.240 -5.943 1.00 0.00 H new ATOM 382 N TYR A 29 2.394 0.246 -7.310 1.00 0.00 N ATOM 383 CA TYR A 29 1.094 -0.147 -6.794 1.00 0.00 C ATOM 384 C TYR A 29 1.120 -1.588 -6.281 1.00 0.00 C ATOM 385 O TYR A 29 0.718 -1.855 -5.149 1.00 0.00 O ATOM 386 CB TYR A 29 0.126 -0.056 -7.975 1.00 0.00 C ATOM 387 CG TYR A 29 -1.316 0.265 -7.576 1.00 0.00 C ATOM 388 CD1 TYR A 29 -1.687 1.570 -7.321 1.00 0.00 C ATOM 389 CD2 TYR A 29 -2.245 -0.749 -7.469 1.00 0.00 C ATOM 390 CE1 TYR A 29 -3.043 1.873 -6.945 1.00 0.00 C ATOM 391 CE2 TYR A 29 -3.602 -0.446 -7.093 1.00 0.00 C ATOM 392 CZ TYR A 29 -3.934 0.850 -6.850 1.00 0.00 C ATOM 393 OH TYR A 29 -5.215 1.136 -6.494 1.00 0.00 O ATOM 0 H TYR A 29 2.443 0.325 -8.326 1.00 0.00 H new ATOM 0 HA TYR A 29 0.801 0.495 -5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.481 0.711 -8.664 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.140 -1.002 -8.517 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.960 2.364 -7.404 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.955 -1.770 -7.667 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.346 2.890 -6.743 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.339 -1.230 -7.006 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.213 1.719 -5.707 1.00 0.00 H new ATOM 403 N HIS A 30 1.597 -2.479 -7.137 1.00 0.00 N ATOM 404 CA HIS A 30 1.680 -3.886 -6.785 1.00 0.00 C ATOM 405 C HIS A 30 2.136 -4.024 -5.331 1.00 0.00 C ATOM 406 O HIS A 30 1.455 -4.650 -4.520 1.00 0.00 O ATOM 407 CB HIS A 30 2.584 -4.638 -7.764 1.00 0.00 C ATOM 408 CG HIS A 30 4.047 -4.285 -7.645 1.00 0.00 C ATOM 409 ND1 HIS A 30 4.668 -3.374 -8.481 1.00 0.00 N ATOM 410 CD2 HIS A 30 5.004 -4.728 -6.779 1.00 0.00 C ATOM 411 CE1 HIS A 30 5.942 -3.281 -8.127 1.00 0.00 C ATOM 412 NE2 HIS A 30 6.148 -4.122 -7.072 1.00 0.00 N ATOM 0 H HIS A 30 1.930 -2.254 -8.074 1.00 0.00 H new ATOM 0 HA HIS A 30 0.694 -4.344 -6.866 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.465 -5.709 -7.602 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.252 -4.430 -8.781 1.00 0.00 H new ATOM 0 HD1 HIS A 30 4.221 -2.861 -9.241 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.856 -5.449 -5.989 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.686 -2.651 -8.592 1.00 0.00 H new ATOM 420 N LEU A 31 3.286 -3.430 -5.046 1.00 0.00 N ATOM 421 CA LEU A 31 3.841 -3.480 -3.704 1.00 0.00 C ATOM 422 C LEU A 31 2.853 -2.842 -2.724 1.00 0.00 C ATOM 423 O LEU A 31 2.450 -3.471 -1.746 1.00 0.00 O ATOM 424 CB LEU A 31 5.232 -2.843 -3.675 1.00 0.00 C ATOM 425 CG LEU A 31 6.409 -3.794 -3.897 1.00 0.00 C ATOM 426 CD1 LEU A 31 7.699 -3.017 -4.168 1.00 0.00 C ATOM 427 CD2 LEU A 31 6.560 -4.763 -2.722 1.00 0.00 C ATOM 0 H LEU A 31 3.848 -2.912 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 31 3.982 -4.514 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.270 -2.065 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.365 -2.351 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 31 6.201 -4.393 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.520 -3.717 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.573 -2.403 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.924 -2.376 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.404 -5.428 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.734 -4.199 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.649 -5.353 -2.617 1.00 0.00 H new ATOM 439 N VAL A 32 2.491 -1.603 -3.021 1.00 0.00 N ATOM 440 CA VAL A 32 1.558 -0.874 -2.179 1.00 0.00 C ATOM 441 C VAL A 32 0.433 -1.813 -1.739 1.00 0.00 C ATOM 442 O VAL A 32 0.283 -2.095 -0.551 1.00 0.00 O ATOM 443 CB VAL A 32 1.047 0.366 -2.915 1.00 0.00 C ATOM 444 CG1 VAL A 32 -0.276 0.851 -2.320 1.00 0.00 C ATOM 445 CG2 VAL A 32 2.095 1.481 -2.903 1.00 0.00 C ATOM 0 H VAL A 32 2.827 -1.085 -3.833 1.00 0.00 H new ATOM 0 HA VAL A 32 2.056 -0.518 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 32 0.865 0.088 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.617 1.733 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.024 0.062 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.132 1.103 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.707 2.351 -3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.323 1.755 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.003 1.132 -3.395 1.00 0.00 H new ATOM 455 N LEU A 33 -0.329 -2.273 -2.721 1.00 0.00 N ATOM 456 CA LEU A 33 -1.435 -3.175 -2.451 1.00 0.00 C ATOM 457 C LEU A 33 -0.981 -4.250 -1.462 1.00 0.00 C ATOM 458 O LEU A 33 -1.471 -4.310 -0.335 1.00 0.00 O ATOM 459 CB LEU A 33 -1.998 -3.739 -3.757 1.00 0.00 C ATOM 460 CG LEU A 33 -3.050 -2.879 -4.461 1.00 0.00 C ATOM 461 CD1 LEU A 33 -3.519 -3.539 -5.759 1.00 0.00 C ATOM 462 CD2 LEU A 33 -4.217 -2.563 -3.524 1.00 0.00 C ATOM 0 H LEU A 33 -0.202 -2.037 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.259 -2.637 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.170 -3.901 -4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.436 -4.715 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.589 -1.929 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.266 -2.907 -6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.669 -3.669 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.956 -4.512 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.950 -1.951 -4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.686 -3.492 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.848 -2.020 -2.654 1.00 0.00 H new ATOM 474 N GLN A 34 -0.049 -5.074 -1.919 1.00 0.00 N ATOM 475 CA GLN A 34 0.477 -6.144 -1.089 1.00 0.00 C ATOM 476 C GLN A 34 0.651 -5.661 0.353 1.00 0.00 C ATOM 477 O GLN A 34 -0.079 -6.086 1.246 1.00 0.00 O ATOM 478 CB GLN A 34 1.796 -6.677 -1.651 1.00 0.00 C ATOM 479 CG GLN A 34 1.816 -8.207 -1.645 1.00 0.00 C ATOM 480 CD GLN A 34 3.096 -8.735 -0.993 1.00 0.00 C ATOM 481 OE1 GLN A 34 3.937 -9.351 -1.627 1.00 0.00 O ATOM 482 NE2 GLN A 34 3.194 -8.462 0.304 1.00 0.00 N ATOM 0 H GLN A 34 0.355 -5.022 -2.854 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.240 -6.965 -1.093 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.936 -6.312 -2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.628 -6.297 -1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.947 -8.584 -1.106 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.744 -8.579 -2.667 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.453 -7.942 0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.011 -8.773 0.830 1.00 0.00 H new ATOM 491 N ASP A 35 1.623 -4.778 0.534 1.00 0.00 N ATOM 492 CA ASP A 35 1.903 -4.232 1.851 1.00 0.00 C ATOM 493 C ASP A 35 0.586 -3.844 2.527 1.00 0.00 C ATOM 494 O ASP A 35 0.428 -4.021 3.734 1.00 0.00 O ATOM 495 CB ASP A 35 2.773 -2.978 1.754 1.00 0.00 C ATOM 496 CG ASP A 35 3.791 -2.808 2.883 1.00 0.00 C ATOM 497 OD1 ASP A 35 4.824 -3.510 2.826 1.00 0.00 O ATOM 498 OD2 ASP A 35 3.514 -1.981 3.778 1.00 0.00 O ATOM 0 H ASP A 35 2.226 -4.427 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 35 2.431 -4.992 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.307 -2.997 0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.123 -2.103 1.737 1.00 0.00 H new ATOM 503 N LEU A 36 -0.325 -3.321 1.719 1.00 0.00 N ATOM 504 CA LEU A 36 -1.622 -2.905 2.225 1.00 0.00 C ATOM 505 C LEU A 36 -2.332 -4.110 2.846 1.00 0.00 C ATOM 506 O LEU A 36 -2.923 -4.001 3.919 1.00 0.00 O ATOM 507 CB LEU A 36 -2.430 -2.216 1.123 1.00 0.00 C ATOM 508 CG LEU A 36 -2.876 -0.782 1.416 1.00 0.00 C ATOM 509 CD1 LEU A 36 -1.712 0.197 1.259 1.00 0.00 C ATOM 510 CD2 LEU A 36 -4.074 -0.393 0.548 1.00 0.00 C ATOM 0 H LEU A 36 -0.191 -3.176 0.718 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.504 -2.162 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.833 -2.211 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.316 -2.817 0.920 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.201 -0.731 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.056 1.209 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.916 -0.070 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.333 0.151 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.371 0.631 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.800 -0.466 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.906 -1.067 0.753 1.00 0.00 H new ATOM 522 N GLN A 37 -2.250 -5.231 2.145 1.00 0.00 N ATOM 523 CA GLN A 37 -2.878 -6.455 2.615 1.00 0.00 C ATOM 524 C GLN A 37 -2.207 -6.934 3.903 1.00 0.00 C ATOM 525 O GLN A 37 -2.702 -7.848 4.562 1.00 0.00 O ATOM 526 CB GLN A 37 -2.836 -7.541 1.538 1.00 0.00 C ATOM 527 CG GLN A 37 -4.055 -7.449 0.619 1.00 0.00 C ATOM 528 CD GLN A 37 -4.460 -8.833 0.105 1.00 0.00 C ATOM 529 OE1 GLN A 37 -4.262 -9.178 -1.048 1.00 0.00 O ATOM 530 NE2 GLN A 37 -5.036 -9.603 1.024 1.00 0.00 N ATOM 0 H GLN A 37 -1.759 -5.318 1.255 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.925 -6.244 2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.924 -7.440 0.950 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.804 -8.524 2.008 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.889 -6.999 1.158 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.831 -6.795 -0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.172 -9.251 1.972 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.342 -10.545 0.781 1.00 0.00 H new ATOM 539 N LEU A 38 -1.091 -6.296 4.225 1.00 0.00 N ATOM 540 CA LEU A 38 -0.348 -6.646 5.423 1.00 0.00 C ATOM 541 C LEU A 38 -0.559 -5.563 6.483 1.00 0.00 C ATOM 542 O LEU A 38 -1.101 -5.835 7.554 1.00 0.00 O ATOM 543 CB LEU A 38 1.123 -6.899 5.086 1.00 0.00 C ATOM 544 CG LEU A 38 1.418 -7.325 3.647 1.00 0.00 C ATOM 545 CD1 LEU A 38 2.898 -7.667 3.468 1.00 0.00 C ATOM 546 CD2 LEU A 38 0.508 -8.478 3.219 1.00 0.00 C ATOM 0 H LEU A 38 -0.684 -5.539 3.677 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.720 -7.580 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.685 -5.989 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.501 -7.670 5.757 1.00 0.00 H new ATOM 0 HG LEU A 38 1.201 -6.482 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.080 -7.967 2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.505 -6.793 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.166 -8.486 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.738 -8.761 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.670 -9.332 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.533 -8.163 3.283 1.00 0.00 H new ATOM 558 N THR A 39 -0.119 -4.359 6.149 1.00 0.00 N ATOM 559 CA THR A 39 -0.252 -3.234 7.059 1.00 0.00 C ATOM 560 C THR A 39 -1.727 -2.878 7.254 1.00 0.00 C ATOM 561 O THR A 39 -2.137 -2.493 8.348 1.00 0.00 O ATOM 562 CB THR A 39 0.584 -2.078 6.507 1.00 0.00 C ATOM 563 OG1 THR A 39 0.199 -1.994 5.138 1.00 0.00 O ATOM 564 CG2 THR A 39 2.077 -2.408 6.456 1.00 0.00 C ATOM 0 H THR A 39 0.330 -4.138 5.260 1.00 0.00 H new ATOM 0 HA THR A 39 0.125 -3.481 8.052 1.00 0.00 H new ATOM 0 HB THR A 39 0.429 -1.192 7.122 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.803 -2.542 4.594 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.625 -1.554 6.057 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.435 -2.631 7.461 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.236 -3.274 5.814 1.00 0.00 H new ATOM 572 N ARG A 40 -2.485 -3.020 6.176 1.00 0.00 N ATOM 573 CA ARG A 40 -3.906 -2.719 6.215 1.00 0.00 C ATOM 574 C ARG A 40 -4.136 -1.322 6.796 1.00 0.00 C ATOM 575 O ARG A 40 -5.048 -1.122 7.597 1.00 0.00 O ATOM 576 CB ARG A 40 -4.664 -3.746 7.058 1.00 0.00 C ATOM 577 CG ARG A 40 -4.724 -5.100 6.348 1.00 0.00 C ATOM 578 CD ARG A 40 -5.779 -5.092 5.240 1.00 0.00 C ATOM 579 NE ARG A 40 -7.127 -4.915 5.826 1.00 0.00 N ATOM 580 CZ ARG A 40 -7.719 -3.726 6.003 1.00 0.00 C ATOM 581 NH1 ARG A 40 -7.086 -2.602 5.641 1.00 0.00 N ATOM 582 NH2 ARG A 40 -8.944 -3.660 6.542 1.00 0.00 N ATOM 0 H ARG A 40 -2.142 -3.340 5.270 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.282 -2.758 5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.175 -3.860 8.026 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.675 -3.388 7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.748 -5.336 5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.956 -5.883 7.070 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.571 -4.287 4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.737 -6.026 4.680 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.637 -5.750 6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.153 -2.651 5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.537 -1.697 5.776 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.427 -4.515 6.818 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.394 -2.755 6.676 1.00 0.00 H new ATOM 596 N SER A 41 -3.294 -0.392 6.370 1.00 0.00 N ATOM 597 CA SER A 41 -3.394 0.979 6.838 1.00 0.00 C ATOM 598 C SER A 41 -2.414 1.868 6.070 1.00 0.00 C ATOM 599 O SER A 41 -1.226 1.907 6.388 1.00 0.00 O ATOM 600 CB SER A 41 -3.126 1.069 8.342 1.00 0.00 C ATOM 601 OG SER A 41 -4.304 0.836 9.109 1.00 0.00 O ATOM 0 H SER A 41 -2.539 -0.562 5.705 1.00 0.00 H new ATOM 0 HA SER A 41 -4.410 1.329 6.656 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.363 0.341 8.619 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.727 2.055 8.581 1.00 0.00 H new ATOM 0 HG SER A 41 -4.668 -0.047 8.889 1.00 0.00 H new ATOM 607 N VAL A 42 -2.947 2.559 5.074 1.00 0.00 N ATOM 608 CA VAL A 42 -2.133 3.444 4.258 1.00 0.00 C ATOM 609 C VAL A 42 -1.118 4.162 5.148 1.00 0.00 C ATOM 610 O VAL A 42 -0.018 4.488 4.704 1.00 0.00 O ATOM 611 CB VAL A 42 -3.030 4.407 3.477 1.00 0.00 C ATOM 612 CG1 VAL A 42 -4.179 3.659 2.798 1.00 0.00 C ATOM 613 CG2 VAL A 42 -3.561 5.519 4.384 1.00 0.00 C ATOM 0 H VAL A 42 -3.932 2.524 4.813 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.570 2.873 3.520 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.425 4.870 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.801 4.367 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.774 2.921 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.782 3.156 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.195 6.189 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.142 5.080 5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.724 6.080 4.799 1.00 0.00 H new ATOM 623 N GLU A 43 -1.522 4.387 6.390 1.00 0.00 N ATOM 624 CA GLU A 43 -0.661 5.061 7.347 1.00 0.00 C ATOM 625 C GLU A 43 0.590 4.222 7.617 1.00 0.00 C ATOM 626 O GLU A 43 1.711 4.708 7.470 1.00 0.00 O ATOM 627 CB GLU A 43 -1.412 5.358 8.646 1.00 0.00 C ATOM 628 CG GLU A 43 -0.896 6.644 9.296 1.00 0.00 C ATOM 629 CD GLU A 43 -2.039 7.425 9.949 1.00 0.00 C ATOM 630 OE1 GLU A 43 -3.090 7.552 9.286 1.00 0.00 O ATOM 631 OE2 GLU A 43 -1.834 7.876 11.096 1.00 0.00 O ATOM 0 H GLU A 43 -2.434 4.114 6.756 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.351 6.014 6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.478 5.453 8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.294 4.524 9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.143 6.400 10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.409 7.265 8.545 1.00 0.00 H new ATOM 638 N ILE A 44 0.357 2.978 8.007 1.00 0.00 N ATOM 639 CA ILE A 44 1.451 2.067 8.299 1.00 0.00 C ATOM 640 C ILE A 44 2.150 1.682 6.994 1.00 0.00 C ATOM 641 O ILE A 44 3.263 1.158 7.012 1.00 0.00 O ATOM 642 CB ILE A 44 0.949 0.868 9.105 1.00 0.00 C ATOM 643 CG1 ILE A 44 0.405 1.310 10.465 1.00 0.00 C ATOM 644 CG2 ILE A 44 2.041 -0.195 9.244 1.00 0.00 C ATOM 645 CD1 ILE A 44 -0.949 0.657 10.752 1.00 0.00 C ATOM 0 H ILE A 44 -0.574 2.579 8.128 1.00 0.00 H new ATOM 0 HA ILE A 44 2.196 2.555 8.928 1.00 0.00 H new ATOM 0 HB ILE A 44 0.122 0.412 8.560 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.115 1.044 11.249 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.301 2.395 10.484 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.658 -1.037 9.821 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.341 -0.540 8.255 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.903 0.234 9.755 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.314 0.988 11.725 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.663 0.945 9.980 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.836 -0.427 10.756 1.00 0.00 H new ATOM 657 N THR A 45 1.468 1.955 5.891 1.00 0.00 N ATOM 658 CA THR A 45 2.009 1.644 4.579 1.00 0.00 C ATOM 659 C THR A 45 3.161 2.591 4.239 1.00 0.00 C ATOM 660 O THR A 45 4.263 2.145 3.921 1.00 0.00 O ATOM 661 CB THR A 45 0.861 1.696 3.569 1.00 0.00 C ATOM 662 OG1 THR A 45 -0.272 1.245 4.308 1.00 0.00 O ATOM 663 CG2 THR A 45 1.015 0.660 2.454 1.00 0.00 C ATOM 0 H THR A 45 0.545 2.389 5.879 1.00 0.00 H new ATOM 0 HA THR A 45 2.436 0.642 4.555 1.00 0.00 H new ATOM 0 HB THR A 45 0.806 2.693 3.133 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.142 0.309 4.568 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.174 0.740 1.765 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.945 0.841 1.915 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.036 -0.340 2.887 1.00 0.00 H new ATOM 671 N THR A 46 2.867 3.881 4.318 1.00 0.00 N ATOM 672 CA THR A 46 3.865 4.895 4.022 1.00 0.00 C ATOM 673 C THR A 46 4.972 4.878 5.078 1.00 0.00 C ATOM 674 O THR A 46 6.139 5.109 4.764 1.00 0.00 O ATOM 675 CB THR A 46 3.151 6.243 3.913 1.00 0.00 C ATOM 676 OG1 THR A 46 2.311 6.285 5.063 1.00 0.00 O ATOM 677 CG2 THR A 46 2.174 6.294 2.736 1.00 0.00 C ATOM 0 H THR A 46 1.952 4.247 4.583 1.00 0.00 H new ATOM 0 HA THR A 46 4.362 4.696 3.072 1.00 0.00 H new ATOM 0 HB THR A 46 3.890 7.038 3.807 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.811 7.128 5.073 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.694 7.272 2.704 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.716 6.125 1.806 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.415 5.521 2.859 1.00 0.00 H new ATOM 685 N ASP A 47 4.567 4.602 6.309 1.00 0.00 N ATOM 686 CA ASP A 47 5.510 4.552 7.414 1.00 0.00 C ATOM 687 C ASP A 47 6.737 3.739 6.995 1.00 0.00 C ATOM 688 O ASP A 47 7.828 3.936 7.527 1.00 0.00 O ATOM 689 CB ASP A 47 4.890 3.874 8.637 1.00 0.00 C ATOM 690 CG ASP A 47 5.375 4.407 9.987 1.00 0.00 C ATOM 691 OD1 ASP A 47 6.450 5.044 9.992 1.00 0.00 O ATOM 692 OD2 ASP A 47 4.660 4.165 10.983 1.00 0.00 O ATOM 0 H ASP A 47 3.599 4.411 6.566 1.00 0.00 H new ATOM 0 HA ASP A 47 5.785 5.575 7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.807 3.987 8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.102 2.806 8.588 1.00 0.00 H new ATOM 697 N ASN A 48 6.517 2.843 6.044 1.00 0.00 N ATOM 698 CA ASN A 48 7.591 2.000 5.547 1.00 0.00 C ATOM 699 C ASN A 48 8.402 2.774 4.507 1.00 0.00 C ATOM 700 O ASN A 48 9.630 2.698 4.488 1.00 0.00 O ATOM 701 CB ASN A 48 7.038 0.742 4.875 1.00 0.00 C ATOM 702 CG ASN A 48 5.814 0.212 5.625 1.00 0.00 C ATOM 703 OD1 ASN A 48 5.797 0.104 6.840 1.00 0.00 O ATOM 704 ND2 ASN A 48 4.794 -0.111 4.835 1.00 0.00 N ATOM 0 H ASN A 48 5.611 2.683 5.604 1.00 0.00 H new ATOM 0 HA ASN A 48 8.213 1.712 6.395 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.768 0.966 3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.810 -0.027 4.843 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.931 -0.474 5.239 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.875 0.004 3.825 1.00 0.00 H new ATOM 711 N ILE A 49 7.683 3.503 3.666 1.00 0.00 N ATOM 712 CA ILE A 49 8.321 4.291 2.625 1.00 0.00 C ATOM 713 C ILE A 49 8.991 5.514 3.255 1.00 0.00 C ATOM 714 O ILE A 49 10.132 5.838 2.929 1.00 0.00 O ATOM 715 CB ILE A 49 7.316 4.639 1.525 1.00 0.00 C ATOM 716 CG1 ILE A 49 6.616 3.382 1.003 1.00 0.00 C ATOM 717 CG2 ILE A 49 7.986 5.431 0.400 1.00 0.00 C ATOM 718 CD1 ILE A 49 5.096 3.551 1.026 1.00 0.00 C ATOM 0 H ILE A 49 6.665 3.565 3.684 1.00 0.00 H new ATOM 0 HA ILE A 49 9.106 3.713 2.137 1.00 0.00 H new ATOM 0 HB ILE A 49 6.547 5.280 1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.947 3.173 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.899 2.524 1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.249 5.665 -0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.398 6.357 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.788 4.836 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.623 2.644 0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.766 3.735 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.814 4.395 0.396 1.00 0.00 H new ATOM 730 N LEU A 50 8.253 6.160 4.146 1.00 0.00 N ATOM 731 CA LEU A 50 8.761 7.340 4.825 1.00 0.00 C ATOM 732 C LEU A 50 10.004 6.962 5.633 1.00 0.00 C ATOM 733 O LEU A 50 10.779 7.831 6.030 1.00 0.00 O ATOM 734 CB LEU A 50 7.660 7.993 5.661 1.00 0.00 C ATOM 735 CG LEU A 50 6.777 9.008 4.931 1.00 0.00 C ATOM 736 CD1 LEU A 50 5.298 8.633 5.047 1.00 0.00 C ATOM 737 CD2 LEU A 50 7.048 10.429 5.430 1.00 0.00 C ATOM 0 H LEU A 50 7.307 5.888 4.413 1.00 0.00 H new ATOM 0 HA LEU A 50 9.068 8.094 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.020 7.206 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.124 8.491 6.512 1.00 0.00 H new ATOM 0 HG LEU A 50 7.033 8.983 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.693 9.371 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.136 7.649 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.009 8.612 6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.408 11.131 4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.837 10.486 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.093 10.684 5.253 1.00 0.00 H new ATOM 749 N GLU A 51 10.157 5.664 5.852 1.00 0.00 N ATOM 750 CA GLU A 51 11.292 5.161 6.606 1.00 0.00 C ATOM 751 C GLU A 51 12.134 4.225 5.736 1.00 0.00 C ATOM 752 O GLU A 51 12.936 3.447 6.251 1.00 0.00 O ATOM 753 CB GLU A 51 10.833 4.456 7.884 1.00 0.00 C ATOM 754 CG GLU A 51 10.236 5.455 8.877 1.00 0.00 C ATOM 755 CD GLU A 51 11.105 5.568 10.131 1.00 0.00 C ATOM 756 OE1 GLU A 51 11.582 4.507 10.588 1.00 0.00 O ATOM 757 OE2 GLU A 51 11.273 6.713 10.604 1.00 0.00 O ATOM 0 H GLU A 51 9.513 4.946 5.520 1.00 0.00 H new ATOM 0 HA GLU A 51 11.912 6.008 6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.092 3.695 7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.677 3.942 8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.145 6.433 8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.230 5.140 9.155 1.00 0.00 H new ATOM 764 N GLY A 52 11.922 4.331 4.432 1.00 0.00 N ATOM 765 CA GLY A 52 12.651 3.504 3.486 1.00 0.00 C ATOM 766 C GLY A 52 12.757 2.061 3.986 1.00 0.00 C ATOM 767 O GLY A 52 13.796 1.654 4.502 1.00 0.00 O ATOM 0 H GLY A 52 11.256 4.977 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.148 3.522 2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.649 3.914 3.333 1.00 0.00 H new ATOM 771 N ARG A 53 11.666 1.328 3.815 1.00 0.00 N ATOM 772 CA ARG A 53 11.623 -0.060 4.242 1.00 0.00 C ATOM 773 C ARG A 53 11.477 -0.983 3.031 1.00 0.00 C ATOM 774 O ARG A 53 12.232 -1.943 2.883 1.00 0.00 O ATOM 775 CB ARG A 53 10.459 -0.304 5.205 1.00 0.00 C ATOM 776 CG ARG A 53 10.956 -0.883 6.531 1.00 0.00 C ATOM 777 CD ARG A 53 10.363 -2.271 6.779 1.00 0.00 C ATOM 778 NE ARG A 53 11.155 -2.984 7.806 1.00 0.00 N ATOM 779 CZ ARG A 53 10.852 -4.201 8.278 1.00 0.00 C ATOM 780 NH1 ARG A 53 9.772 -4.847 7.819 1.00 0.00 N ATOM 781 NH2 ARG A 53 11.629 -4.771 9.209 1.00 0.00 N ATOM 0 H ARG A 53 10.806 1.669 3.387 1.00 0.00 H new ATOM 0 HA ARG A 53 12.558 -0.278 4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.931 0.632 5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.744 -0.989 4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.044 -0.945 6.520 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.683 -0.216 7.348 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.327 -2.180 7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.356 -2.843 5.851 1.00 0.00 H new ATOM 0 HE ARG A 53 11.984 -2.520 8.178 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.181 -4.413 7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.541 -5.773 8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.451 -4.279 9.558 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.398 -5.697 9.568 1.00 0.00 H new ATOM 795 N ILE A 54 10.500 -0.662 2.196 1.00 0.00 N ATOM 796 CA ILE A 54 10.245 -1.451 1.003 1.00 0.00 C ATOM 797 C ILE A 54 11.139 -0.952 -0.133 1.00 0.00 C ATOM 798 O ILE A 54 10.820 0.037 -0.791 1.00 0.00 O ATOM 799 CB ILE A 54 8.753 -1.440 0.662 1.00 0.00 C ATOM 800 CG1 ILE A 54 7.922 -1.994 1.821 1.00 0.00 C ATOM 801 CG2 ILE A 54 8.485 -2.187 -0.646 1.00 0.00 C ATOM 802 CD1 ILE A 54 6.606 -1.227 1.968 1.00 0.00 C ATOM 0 H ILE A 54 9.875 0.134 2.322 1.00 0.00 H new ATOM 0 HA ILE A 54 10.501 -2.496 1.175 1.00 0.00 H new ATOM 0 HB ILE A 54 8.444 -0.406 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.714 -3.051 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.492 -1.926 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.418 -2.165 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.033 -1.708 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.814 -3.222 -0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.034 -1.641 2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.817 -0.175 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.027 -1.318 1.049 1.00 0.00 H new ATOM 814 N GLN A 55 12.242 -1.660 -0.330 1.00 0.00 N ATOM 815 CA GLN A 55 13.185 -1.302 -1.376 1.00 0.00 C ATOM 816 C GLN A 55 13.430 -2.496 -2.301 1.00 0.00 C ATOM 817 O GLN A 55 14.493 -3.114 -2.255 1.00 0.00 O ATOM 818 CB GLN A 55 14.498 -0.792 -0.779 1.00 0.00 C ATOM 819 CG GLN A 55 15.495 -0.425 -1.880 1.00 0.00 C ATOM 820 CD GLN A 55 16.228 0.875 -1.544 1.00 0.00 C ATOM 821 OE1 GLN A 55 17.400 0.888 -1.205 1.00 0.00 O ATOM 822 NE2 GLN A 55 15.475 1.966 -1.657 1.00 0.00 N ATOM 0 H GLN A 55 12.504 -2.480 0.217 1.00 0.00 H new ATOM 0 HA GLN A 55 12.754 -0.493 -1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.303 0.080 -0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.929 -1.557 -0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.217 -1.232 -2.006 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.970 -0.316 -2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.500 1.885 -1.946 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.873 2.883 -1.455 1.00 0.00 H new ATOM 831 N VAL A 56 12.429 -2.784 -3.120 1.00 0.00 N ATOM 832 CA VAL A 56 12.523 -3.893 -4.055 1.00 0.00 C ATOM 833 C VAL A 56 13.052 -5.128 -3.323 1.00 0.00 C ATOM 834 O VAL A 56 14.220 -5.487 -3.468 1.00 0.00 O ATOM 835 CB VAL A 56 13.384 -3.494 -5.255 1.00 0.00 C ATOM 836 CG1 VAL A 56 13.661 -4.699 -6.156 1.00 0.00 C ATOM 837 CG2 VAL A 56 12.732 -2.357 -6.044 1.00 0.00 C ATOM 0 H VAL A 56 11.549 -2.269 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 56 11.538 -4.146 -4.449 1.00 0.00 H new ATOM 0 HB VAL A 56 14.340 -3.133 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.275 -4.388 -7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 56 14.188 -5.465 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.718 -5.104 -6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.365 -2.093 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.756 -2.679 -6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.611 -1.488 -5.397 1.00 0.00 H new ATOM 847 N PRO A 57 12.144 -5.761 -2.533 1.00 0.00 N ATOM 848 CA PRO A 57 12.507 -6.948 -1.778 1.00 0.00 C ATOM 849 C PRO A 57 12.613 -8.169 -2.694 1.00 0.00 C ATOM 850 O PRO A 57 11.909 -9.159 -2.499 1.00 0.00 O ATOM 851 CB PRO A 57 11.423 -7.090 -0.722 1.00 0.00 C ATOM 852 CG PRO A 57 10.252 -6.255 -1.213 1.00 0.00 C ATOM 853 CD PRO A 57 10.753 -5.364 -2.338 1.00 0.00 C ATOM 0 HA PRO A 57 13.489 -6.866 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.134 -8.133 -0.597 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.774 -6.738 0.248 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.446 -6.898 -1.566 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.846 -5.652 -0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.169 -5.508 -3.247 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.675 -4.310 -2.073 1.00 0.00 H new ATOM 861 N PHE A 58 13.497 -8.059 -3.675 1.00 0.00 N ATOM 862 CA PHE A 58 13.703 -9.141 -4.622 1.00 0.00 C ATOM 863 C PHE A 58 12.371 -9.773 -5.031 1.00 0.00 C ATOM 864 O PHE A 58 11.345 -9.097 -5.069 1.00 0.00 O ATOM 865 CB PHE A 58 14.559 -10.195 -3.916 1.00 0.00 C ATOM 866 CG PHE A 58 16.038 -9.820 -3.801 1.00 0.00 C ATOM 867 CD1 PHE A 58 16.883 -10.059 -4.840 1.00 0.00 C ATOM 868 CD2 PHE A 58 16.508 -9.248 -2.660 1.00 0.00 C ATOM 869 CE1 PHE A 58 18.256 -9.711 -4.733 1.00 0.00 C ATOM 870 CE2 PHE A 58 17.880 -8.900 -2.553 1.00 0.00 C ATOM 871 CZ PHE A 58 18.725 -9.139 -3.592 1.00 0.00 C ATOM 0 H PHE A 58 14.079 -7.237 -3.834 1.00 0.00 H new ATOM 0 HA PHE A 58 14.185 -8.761 -5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 58 14.159 -10.363 -2.916 1.00 0.00 H new ATOM 0 HB3 PHE A 58 14.475 -11.138 -4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 58 16.510 -10.513 -5.746 1.00 0.00 H new ATOM 0 HD2 PHE A 58 15.837 -9.059 -1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 58 18.927 -9.901 -5.558 1.00 0.00 H new ATOM 0 HE2 PHE A 58 18.253 -8.446 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.769 -8.874 -3.511 1.00 0.00 H new TER 881 PHE A 58