USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 0 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: B 11 MET CE :methyl -173:sc= -4.07! (180deg=-4.11!) USER MOD Set 1.2: B 30 MET CE :methyl -152:sc= -4.53! (180deg=-7.96!) USER MOD Set 2.1: A 8 ASN : amide:sc= 0 X(o=-0.0012,f=-0.0012) USER MOD Set 2.2: B 8 ASN : amide:sc=-0.00123 X(o=-0.0012,f=-0.25) USER MOD Set 3.1: A 11 MET CE :methyl -168:sc= -2.53 (180deg=-3.17!) USER MOD Set 3.2: A 30 MET CE :methyl -148:sc= -3.59 (180deg=-7.51!) USER MOD Single : A 6 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.031) USER MOD Single : A 13 MET CE :methyl -114:sc= -0.392 (180deg=-2.21!) USER MOD Single : A 18 LYS NZ :NH3+ -117:sc= 0.598 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0214) USER MOD Single : A 29 SER OG : rot 64:sc= 0.991 USER MOD Single : A 31 ASN : amide:sc= 0.905 K(o=0.9,f=-0.81) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.45) USER MOD Single : A 39 GLN : amide:sc= -0.0272 K(o=-0.027,f=-1.9) USER MOD Single : B 6 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.4) USER MOD Single : B 13 MET CE :methyl -123:sc= -0.098 (180deg=-0.415) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 ASN : amide:sc= 0.103 K(o=0.1,f=-0.54) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 31 ASN : amide:sc= -0.826 K(o=-0.83,f=-2.3!) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 36 GLN : amide:sc= -0.947 X(o=-0.95,f=-0.61) USER MOD Single : B 39 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 4 13.459 -13.705 -4.850 1.00 0.00 N ATOM 26 CA ASP A 4 12.086 -13.130 -4.803 1.00 0.00 C ATOM 27 C ASP A 4 11.079 -14.125 -4.132 1.00 0.00 C ATOM 28 O ASP A 4 10.399 -14.869 -4.847 1.00 0.00 O ATOM 29 CB ASP A 4 11.671 -12.537 -6.176 1.00 0.00 C ATOM 30 CG ASP A 4 11.349 -13.469 -7.342 1.00 0.00 C ATOM 31 OD1 ASP A 4 12.421 -14.206 -7.739 1.00 0.00 O ATOM 32 OD2 ASP A 4 10.250 -13.525 -7.882 1.00 0.00 O ATOM 0 HA ASP A 4 12.070 -12.264 -4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 4 10.794 -11.912 -6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.475 -11.877 -6.501 1.00 0.00 H new ATOM 33 N PRO A 5 10.980 -14.235 -2.774 1.00 0.00 N ATOM 34 CA PRO A 5 10.374 -15.422 -2.122 1.00 0.00 C ATOM 35 C PRO A 5 8.909 -15.174 -1.674 1.00 0.00 C ATOM 36 O PRO A 5 8.538 -14.068 -1.260 1.00 0.00 O ATOM 37 CB PRO A 5 11.356 -15.691 -0.957 1.00 0.00 C ATOM 38 CG PRO A 5 12.481 -14.667 -1.130 1.00 0.00 C ATOM 39 CD PRO A 5 11.805 -13.490 -1.803 1.00 0.00 C ATOM 0 HA PRO A 5 10.265 -16.283 -2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.863 -15.574 0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.742 -16.710 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.914 -14.384 -0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.292 -15.064 -1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.209 -12.893 -1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.513 -12.813 -2.281 1.00 0.00 H new ATOM 40 N HIS A 6 8.110 -16.244 -1.756 1.00 0.00 N ATOM 41 CA HIS A 6 6.673 -16.240 -1.382 1.00 0.00 C ATOM 42 C HIS A 6 6.405 -16.065 0.142 1.00 0.00 C ATOM 43 O HIS A 6 7.046 -16.711 0.979 1.00 0.00 O ATOM 44 CB HIS A 6 6.073 -17.611 -1.834 1.00 0.00 C ATOM 45 CG HIS A 6 5.936 -17.868 -3.334 1.00 0.00 C ATOM 46 ND1 HIS A 6 6.846 -18.612 -4.064 1.00 0.00 N ATOM 47 CD2 HIS A 6 4.945 -17.338 -4.174 1.00 0.00 C ATOM 48 CE1 HIS A 6 6.309 -18.445 -5.316 1.00 0.00 C ATOM 49 NE2 HIS A 6 5.151 -17.738 -5.479 1.00 0.00 N ATOM 0 H HIS A 6 8.437 -17.152 -2.086 1.00 0.00 H new ATOM 0 HA HIS A 6 6.212 -15.382 -1.871 1.00 0.00 H new ATOM 0 HB2 HIS A 6 6.693 -18.403 -1.414 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.084 -17.708 -1.386 1.00 0.00 H new ATOM 0 HD2 HIS A 6 4.134 -16.705 -3.845 1.00 0.00 H new ATOM 0 HE1 HIS A 6 6.803 -18.874 -6.175 1.00 0.00 H new ATOM 0 HE2 HIS A 6 4.600 -17.559 -6.319 1.00 0.00 H new ATOM 50 N PHE A 7 5.297 -15.395 0.490 1.00 0.00 N ATOM 51 CA PHE A 7 4.425 -15.929 1.581 1.00 0.00 C ATOM 52 C PHE A 7 2.907 -15.795 1.246 1.00 0.00 C ATOM 53 O PHE A 7 2.509 -14.935 0.460 1.00 0.00 O ATOM 54 CB PHE A 7 4.842 -15.337 2.955 1.00 0.00 C ATOM 55 CG PHE A 7 4.369 -13.907 3.212 1.00 0.00 C ATOM 56 CD1 PHE A 7 5.073 -12.801 2.721 1.00 0.00 C ATOM 57 CD2 PHE A 7 3.101 -13.717 3.771 1.00 0.00 C ATOM 58 CE1 PHE A 7 4.552 -11.527 2.866 1.00 0.00 C ATOM 59 CE2 PHE A 7 2.564 -12.451 3.842 1.00 0.00 C ATOM 60 CZ PHE A 7 3.337 -11.355 3.528 1.00 0.00 C ATOM 0 H PHE A 7 4.982 -14.523 0.065 1.00 0.00 H new ATOM 0 HA PHE A 7 4.583 -17.005 1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 7 4.452 -15.980 3.744 1.00 0.00 H new ATOM 0 HB3 PHE A 7 5.929 -15.363 3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.024 -12.942 2.228 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.544 -14.562 4.147 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.082 -10.673 2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.536 -12.317 4.144 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.002 -10.363 3.794 1.00 0.00 H new ATOM 61 N ASN A 8 2.046 -16.578 1.919 1.00 0.00 N ATOM 62 CA ASN A 8 0.563 -16.467 1.792 1.00 0.00 C ATOM 63 C ASN A 8 -0.020 -15.036 2.081 1.00 0.00 C ATOM 64 O ASN A 8 -0.216 -14.639 3.234 1.00 0.00 O ATOM 65 CB ASN A 8 -0.098 -17.530 2.717 1.00 0.00 C ATOM 66 CG ASN A 8 0.204 -19.000 2.422 1.00 0.00 C ATOM 67 OD1 ASN A 8 1.120 -19.592 2.976 1.00 0.00 O ATOM 68 ND2 ASN A 8 -0.531 -19.639 1.553 1.00 0.00 N ATOM 0 H ASN A 8 2.346 -17.306 2.567 1.00 0.00 H new ATOM 0 HA ASN A 8 0.323 -16.653 0.745 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.208 -17.322 3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.178 -17.392 2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.338 -20.619 1.344 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.298 -19.159 1.083 1.00 0.00 H new ATOM 69 N PHE A 9 -0.336 -14.278 1.022 1.00 0.00 N ATOM 70 CA PHE A 9 -1.154 -13.075 1.095 1.00 0.00 C ATOM 71 C PHE A 9 -2.218 -13.201 0.005 1.00 0.00 C ATOM 72 O PHE A 9 -1.992 -12.898 -1.163 1.00 0.00 O ATOM 73 CB PHE A 9 -0.192 -11.881 0.947 1.00 0.00 C ATOM 74 CG PHE A 9 -0.797 -10.648 1.576 1.00 0.00 C ATOM 75 CD1 PHE A 9 -0.856 -10.570 2.972 1.00 0.00 C ATOM 76 CD2 PHE A 9 -1.038 -9.505 0.816 1.00 0.00 C ATOM 77 CE1 PHE A 9 -1.137 -9.370 3.586 1.00 0.00 C ATOM 78 CE2 PHE A 9 -1.390 -8.319 1.432 1.00 0.00 C ATOM 79 CZ PHE A 9 -1.356 -8.242 2.809 1.00 0.00 C ATOM 0 H PHE A 9 -0.021 -14.494 0.076 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.689 -12.929 2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.762 -12.111 1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.013 -11.698 -0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.681 -11.453 3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.949 -9.546 -0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.186 -9.308 4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.688 -7.464 0.843 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.502 -7.286 3.291 1.00 0.00 H new ATOM 80 N ARG A 10 -3.473 -13.514 0.252 1.00 0.00 N ATOM 81 CA ARG A 10 -4.107 -13.995 1.515 1.00 0.00 C ATOM 82 C ARG A 10 -4.588 -12.827 2.423 1.00 0.00 C ATOM 83 O ARG A 10 -4.045 -12.546 3.492 1.00 0.00 O ATOM 84 CB ARG A 10 -3.492 -15.219 2.247 1.00 0.00 C ATOM 85 CG ARG A 10 -4.493 -16.359 2.523 1.00 0.00 C ATOM 86 CD ARG A 10 -5.660 -16.094 3.493 1.00 0.00 C ATOM 87 NE ARG A 10 -5.330 -16.563 4.863 1.00 0.00 N ATOM 88 CZ ARG A 10 -4.879 -15.812 5.863 1.00 0.00 C ATOM 89 NH1 ARG A 10 -4.682 -14.532 5.796 1.00 0.00 N ATOM 90 NH2 ARG A 10 -4.610 -16.402 6.972 1.00 0.00 N ATOM 0 H ARG A 10 -4.168 -13.438 -0.490 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.004 -14.495 1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.669 -15.610 1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.067 -14.886 3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.919 -16.664 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.929 -17.209 2.907 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.885 -15.028 3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.556 -16.602 3.137 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.462 -17.556 5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.876 -14.031 4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.333 -14.026 6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.745 -17.409 7.060 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.262 -15.863 7.765 1.00 0.00 H new ATOM 91 N MET A 11 -5.619 -12.132 1.944 1.00 0.00 N ATOM 92 CA MET A 11 -6.017 -10.799 2.470 1.00 0.00 C ATOM 93 C MET A 11 -7.583 -10.675 2.437 1.00 0.00 C ATOM 94 O MET A 11 -8.090 -10.765 1.321 1.00 0.00 O ATOM 95 CB MET A 11 -5.240 -9.740 1.623 1.00 0.00 C ATOM 96 CG MET A 11 -5.536 -9.656 0.121 1.00 0.00 C ATOM 97 SD MET A 11 -4.415 -8.520 -0.683 1.00 0.00 S ATOM 98 CE MET A 11 -3.271 -9.717 -1.363 1.00 0.00 C ATOM 0 H MET A 11 -6.210 -12.464 1.182 1.00 0.00 H new ATOM 0 HA MET A 11 -5.753 -10.640 3.515 1.00 0.00 H new ATOM 0 HB2 MET A 11 -5.435 -8.759 2.056 1.00 0.00 H new ATOM 0 HB3 MET A 11 -4.174 -9.935 1.742 1.00 0.00 H new ATOM 0 HG2 MET A 11 -5.444 -10.645 -0.328 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.565 -9.330 -0.034 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.379 -9.204 -1.723 1.00 0.00 H new ATOM 0 HE2 MET A 11 -2.991 -10.432 -0.590 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.745 -10.244 -2.191 1.00 0.00 H new ATOM 99 N PRO A 12 -8.395 -10.526 3.542 1.00 0.00 N ATOM 100 CA PRO A 12 -9.898 -10.568 3.511 1.00 0.00 C ATOM 101 C PRO A 12 -10.660 -9.995 2.277 1.00 0.00 C ATOM 102 O PRO A 12 -10.177 -9.040 1.666 1.00 0.00 O ATOM 103 CB PRO A 12 -10.259 -9.848 4.821 1.00 0.00 C ATOM 104 CG PRO A 12 -9.127 -10.209 5.780 1.00 0.00 C ATOM 105 CD PRO A 12 -7.881 -10.294 4.900 1.00 0.00 C ATOM 0 HA PRO A 12 -10.229 -11.602 3.414 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.327 -8.770 4.676 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.224 -10.180 5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.011 -9.454 6.557 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.322 -11.156 6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.298 -9.375 4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.226 -11.105 5.219 1.00 0.00 H new ATOM 106 N MET A 13 -11.791 -10.611 1.861 1.00 0.00 N ATOM 107 CA MET A 13 -12.372 -10.428 0.494 1.00 0.00 C ATOM 108 C MET A 13 -12.430 -8.948 -0.058 1.00 0.00 C ATOM 109 O MET A 13 -12.073 -8.720 -1.210 1.00 0.00 O ATOM 110 CB MET A 13 -13.769 -11.109 0.539 1.00 0.00 C ATOM 111 CG MET A 13 -14.675 -10.949 -0.707 1.00 0.00 C ATOM 112 SD MET A 13 -13.820 -10.861 -2.310 1.00 0.00 S ATOM 113 CE MET A 13 -12.654 -12.232 -2.344 1.00 0.00 C ATOM 0 H MET A 13 -12.329 -11.245 2.452 1.00 0.00 H new ATOM 0 HA MET A 13 -11.702 -10.888 -0.232 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.620 -12.175 0.714 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.308 -10.717 1.401 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.372 -11.787 -0.735 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.270 -10.044 -0.585 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.636 -11.843 -2.351 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.798 -12.854 -1.461 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.821 -12.829 -3.240 1.00 0.00 H new ATOM 114 N GLU A 14 -12.799 -7.954 0.776 1.00 0.00 N ATOM 115 CA GLU A 14 -12.639 -6.512 0.441 1.00 0.00 C ATOM 116 C GLU A 14 -11.176 -5.975 0.239 1.00 0.00 C ATOM 117 O GLU A 14 -10.976 -5.248 -0.720 1.00 0.00 O ATOM 118 CB GLU A 14 -13.494 -5.664 1.426 1.00 0.00 C ATOM 119 CG GLU A 14 -12.853 -5.376 2.811 1.00 0.00 C ATOM 120 CD GLU A 14 -13.741 -4.595 3.770 1.00 0.00 C ATOM 121 OE1 GLU A 14 -14.608 -5.120 4.461 1.00 0.00 O ATOM 122 OE2 GLU A 14 -13.453 -3.261 3.770 1.00 0.00 O ATOM 0 H GLU A 14 -13.213 -8.119 1.693 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.020 -6.398 -0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.723 -4.711 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.442 -6.177 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.584 -6.324 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.927 -4.821 2.660 1.00 0.00 H new ATOM 123 N VAL A 15 -10.157 -6.291 1.067 1.00 0.00 N ATOM 124 CA VAL A 15 -8.708 -5.974 0.768 1.00 0.00 C ATOM 125 C VAL A 15 -8.233 -6.520 -0.591 1.00 0.00 C ATOM 126 O VAL A 15 -7.540 -5.815 -1.317 1.00 0.00 O ATOM 127 CB VAL A 15 -7.710 -6.543 1.847 1.00 0.00 C ATOM 128 CG1 VAL A 15 -6.424 -5.704 1.913 1.00 0.00 C ATOM 129 CG2 VAL A 15 -8.216 -6.691 3.301 1.00 0.00 C ATOM 0 H VAL A 15 -10.293 -6.769 1.958 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.689 -4.884 0.769 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.556 -7.556 1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.756 -6.121 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.930 -5.718 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.673 -4.677 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.418 -7.094 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.517 -5.715 3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.070 -7.368 3.322 1.00 0.00 H new ATOM 130 N ARG A 16 -8.568 -7.773 -0.906 1.00 0.00 N ATOM 131 CA ARG A 16 -8.254 -8.330 -2.216 1.00 0.00 C ATOM 132 C ARG A 16 -9.142 -7.831 -3.366 1.00 0.00 C ATOM 133 O ARG A 16 -8.564 -7.468 -4.367 1.00 0.00 O ATOM 134 CB ARG A 16 -8.180 -9.853 -2.165 1.00 0.00 C ATOM 135 CG ARG A 16 -7.033 -10.304 -3.091 1.00 0.00 C ATOM 136 CD ARG A 16 -7.340 -11.702 -3.531 1.00 0.00 C ATOM 137 NE ARG A 16 -6.312 -12.192 -4.471 1.00 0.00 N ATOM 138 CZ ARG A 16 -6.395 -13.349 -5.116 1.00 0.00 C ATOM 139 NH1 ARG A 16 -7.338 -14.230 -4.937 1.00 0.00 N ATOM 140 NH2 ARG A 16 -5.486 -13.613 -5.982 1.00 0.00 N ATOM 0 H ARG A 16 -9.052 -8.413 -0.276 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.265 -7.943 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.002 -10.192 -1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.125 -10.292 -2.487 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.950 -9.640 -3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.078 -10.267 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.389 -12.359 -2.663 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.320 -11.731 -4.008 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.492 -11.608 -4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.081 -14.051 -4.262 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.333 -15.098 -5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.735 -12.944 -6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.514 -14.492 -6.499 1.00 0.00 H new ATOM 141 N GLU A 17 -10.466 -7.695 -3.284 1.00 0.00 N ATOM 142 CA GLU A 17 -11.199 -6.870 -4.289 1.00 0.00 C ATOM 143 C GLU A 17 -10.741 -5.375 -4.389 1.00 0.00 C ATOM 144 O GLU A 17 -10.721 -4.837 -5.487 1.00 0.00 O ATOM 145 CB GLU A 17 -12.723 -6.981 -4.125 1.00 0.00 C ATOM 146 CG GLU A 17 -13.312 -8.342 -4.563 1.00 0.00 C ATOM 147 CD GLU A 17 -14.832 -8.431 -4.490 1.00 0.00 C ATOM 148 OE1 GLU A 17 -15.468 -8.501 -3.442 1.00 0.00 O ATOM 149 OE2 GLU A 17 -15.401 -8.461 -5.726 1.00 0.00 O ATOM 0 H GLU A 17 -11.050 -8.122 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.921 -7.310 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.978 -6.807 -3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.198 -6.189 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.998 -8.546 -5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.885 -9.126 -3.937 1.00 0.00 H new ATOM 150 N LYS A 18 -10.287 -4.718 -3.316 1.00 0.00 N ATOM 151 CA LYS A 18 -9.573 -3.425 -3.405 1.00 0.00 C ATOM 152 C LYS A 18 -8.160 -3.502 -4.072 1.00 0.00 C ATOM 153 O LYS A 18 -7.929 -2.796 -5.054 1.00 0.00 O ATOM 154 CB LYS A 18 -9.700 -2.703 -2.049 1.00 0.00 C ATOM 155 CG LYS A 18 -11.118 -2.240 -1.603 1.00 0.00 C ATOM 156 CD LYS A 18 -11.206 -1.623 -0.184 1.00 0.00 C ATOM 157 CE LYS A 18 -11.082 -2.617 0.972 1.00 0.00 C ATOM 158 NZ LYS A 18 -11.196 -1.934 2.275 1.00 0.00 N ATOM 0 H LYS A 18 -10.400 -5.060 -2.362 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.055 -2.777 -4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.306 -3.366 -1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.054 -1.825 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.484 -1.507 -2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.791 -3.096 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.421 -0.874 -0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.158 -1.101 -0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.859 -3.377 0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.124 -3.133 0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.306 -2.041 2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.388 -0.923 2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.975 -2.355 2.821 1.00 0.00 H new ATOM 159 N LEU A 19 -7.237 -4.360 -3.614 1.00 0.00 N ATOM 160 CA LEU A 19 -5.899 -4.569 -4.244 1.00 0.00 C ATOM 161 C LEU A 19 -5.925 -5.232 -5.671 1.00 0.00 C ATOM 162 O LEU A 19 -5.116 -4.887 -6.534 1.00 0.00 O ATOM 163 CB LEU A 19 -5.030 -5.210 -3.118 1.00 0.00 C ATOM 164 CG LEU A 19 -3.484 -5.155 -3.223 1.00 0.00 C ATOM 165 CD1 LEU A 19 -2.795 -3.774 -3.263 1.00 0.00 C ATOM 166 CD2 LEU A 19 -2.935 -5.970 -2.027 1.00 0.00 C ATOM 0 H LEU A 19 -7.387 -4.940 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.423 -3.641 -4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.311 -4.735 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.315 -6.259 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.247 -5.557 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.716 -3.908 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.152 -3.214 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.031 -3.223 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.845 -5.964 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.279 -5.523 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.294 -6.997 -2.091 1.00 0.00 H new ATOM 167 N LYS A 20 -6.881 -6.139 -5.928 1.00 0.00 N ATOM 168 CA LYS A 20 -7.067 -6.891 -7.175 1.00 0.00 C ATOM 169 C LYS A 20 -8.024 -6.208 -8.193 1.00 0.00 C ATOM 170 O LYS A 20 -7.821 -6.418 -9.383 1.00 0.00 O ATOM 171 CB LYS A 20 -7.581 -8.317 -6.881 1.00 0.00 C ATOM 172 CG LYS A 20 -7.360 -9.383 -7.977 1.00 0.00 C ATOM 173 CD LYS A 20 -7.918 -10.785 -7.634 1.00 0.00 C ATOM 174 CE LYS A 20 -9.216 -10.831 -6.806 1.00 0.00 C ATOM 175 NZ LYS A 20 -9.688 -12.219 -6.659 1.00 0.00 N ATOM 0 H LYS A 20 -7.584 -6.379 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.081 -6.924 -7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.103 -8.667 -5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.650 -8.256 -6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.825 -9.037 -8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.291 -9.469 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.091 -11.320 -8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.149 -11.334 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.042 -10.394 -5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.985 -10.229 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.679 -12.217 -6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.615 -12.709 -7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.103 -12.712 -5.955 1.00 0.00 H new ATOM 176 N PHE A 21 -9.033 -5.391 -7.799 1.00 0.00 N ATOM 177 CA PHE A 21 -9.561 -4.323 -8.693 1.00 0.00 C ATOM 178 C PHE A 21 -8.460 -3.309 -8.974 1.00 0.00 C ATOM 179 O PHE A 21 -7.984 -3.415 -10.081 1.00 0.00 O ATOM 180 CB PHE A 21 -10.833 -3.590 -8.202 1.00 0.00 C ATOM 181 CG PHE A 21 -12.132 -4.373 -8.125 1.00 0.00 C ATOM 182 CD1 PHE A 21 -12.345 -5.586 -8.783 1.00 0.00 C ATOM 183 CD2 PHE A 21 -13.117 -3.857 -7.289 1.00 0.00 C ATOM 184 CE1 PHE A 21 -13.497 -6.313 -8.540 1.00 0.00 C ATOM 185 CE2 PHE A 21 -14.273 -4.579 -7.047 1.00 0.00 C ATOM 186 CZ PHE A 21 -14.470 -5.816 -7.668 1.00 0.00 C ATOM 0 H PHE A 21 -9.491 -5.446 -6.889 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.876 -4.844 -9.597 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.625 -3.193 -7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.998 -2.736 -8.858 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -11.610 -5.957 -9.482 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.979 -2.890 -6.827 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.645 -7.267 -9.025 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.024 -4.186 -6.377 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.368 -6.384 -7.475 1.00 0.00 H new ATOM 187 N ARG A 22 -7.966 -2.428 -8.095 1.00 0.00 N ATOM 188 CA ARG A 22 -6.758 -1.584 -8.373 1.00 0.00 C ATOM 189 C ARG A 22 -5.731 -2.161 -9.437 1.00 0.00 C ATOM 190 O ARG A 22 -5.669 -1.617 -10.538 1.00 0.00 O ATOM 191 CB ARG A 22 -6.238 -1.139 -6.976 1.00 0.00 C ATOM 192 CG ARG A 22 -5.299 0.088 -6.974 1.00 0.00 C ATOM 193 CD ARG A 22 -3.830 -0.206 -7.310 1.00 0.00 C ATOM 194 NE ARG A 22 -3.077 1.067 -7.436 1.00 0.00 N ATOM 195 CZ ARG A 22 -2.985 1.809 -8.537 1.00 0.00 C ATOM 196 NH1 ARG A 22 -3.550 1.517 -9.666 1.00 0.00 N ATOM 197 NH2 ARG A 22 -2.307 2.897 -8.469 1.00 0.00 N ATOM 0 H ARG A 22 -8.375 -2.268 -7.175 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.003 -0.692 -8.949 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.097 -0.918 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.712 -1.978 -6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.679 0.816 -7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.342 0.556 -5.990 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.386 -0.826 -6.531 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.766 -0.770 -8.240 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.587 1.402 -6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.110 0.669 -9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.435 2.135 -10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.861 3.166 -7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.214 3.492 -9.292 1.00 0.00 H new ATOM 198 N ALA A 23 -5.250 -3.412 -9.263 1.00 0.00 N ATOM 199 CA ALA A 23 -4.751 -4.274 -10.379 1.00 0.00 C ATOM 200 C ALA A 23 -5.645 -4.487 -11.670 1.00 0.00 C ATOM 201 O ALA A 23 -5.386 -3.864 -12.699 1.00 0.00 O ATOM 202 CB ALA A 23 -4.309 -5.580 -9.689 1.00 0.00 C ATOM 0 H ALA A 23 -5.193 -3.860 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.944 -3.739 -10.879 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.927 -6.275 -10.437 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.526 -5.361 -8.963 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.161 -6.029 -9.179 1.00 0.00 H new ATOM 203 N GLU A 24 -6.660 -5.364 -11.631 1.00 0.00 N ATOM 204 CA GLU A 24 -7.551 -5.713 -12.785 1.00 0.00 C ATOM 205 C GLU A 24 -8.568 -4.634 -13.311 1.00 0.00 C ATOM 206 O GLU A 24 -8.824 -4.563 -14.514 1.00 0.00 O ATOM 207 CB GLU A 24 -8.291 -7.044 -12.456 1.00 0.00 C ATOM 208 CG GLU A 24 -7.435 -8.314 -12.158 1.00 0.00 C ATOM 209 CD GLU A 24 -6.435 -8.814 -13.208 1.00 0.00 C ATOM 210 OE1 GLU A 24 -6.782 -8.484 -14.482 1.00 0.00 O ATOM 211 OE2 GLU A 24 -5.439 -9.476 -12.926 1.00 0.00 O ATOM 0 H GLU A 24 -6.903 -5.872 -10.780 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.864 -5.797 -13.627 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.930 -6.864 -11.592 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.947 -7.275 -13.295 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.878 -8.125 -11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.125 -9.131 -11.949 1.00 0.00 H new ATOM 229 N ARG A 28 -2.753 -4.155 -14.249 1.00 0.00 N ATOM 230 CA ARG A 28 -1.705 -5.023 -13.637 1.00 0.00 C ATOM 231 C ARG A 28 -2.410 -6.257 -12.994 1.00 0.00 C ATOM 232 O ARG A 28 -3.636 -6.321 -12.854 1.00 0.00 O ATOM 233 CB ARG A 28 -0.867 -4.102 -12.724 1.00 0.00 C ATOM 234 CG ARG A 28 0.243 -3.305 -13.448 1.00 0.00 C ATOM 235 CD ARG A 28 0.883 -2.225 -12.553 1.00 0.00 C ATOM 236 NE ARG A 28 0.158 -0.944 -12.650 1.00 0.00 N ATOM 237 CZ ARG A 28 0.345 -0.021 -13.595 1.00 0.00 C ATOM 238 NH1 ARG A 28 1.233 -0.110 -14.538 1.00 0.00 N ATOM 239 NH2 ARG A 28 -0.416 1.015 -13.596 1.00 0.00 N ATOM 0 HA ARG A 28 -0.993 -5.474 -14.328 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.536 -3.398 -12.230 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.408 -4.708 -11.943 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.016 -3.994 -13.788 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.176 -2.833 -14.337 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.887 -2.565 -11.517 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.923 -2.079 -12.844 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.544 -0.748 -11.936 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.843 -0.926 -14.588 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.320 0.636 -15.228 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.141 1.116 -12.886 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.295 1.736 -14.307 1.00 0.00 H new ATOM 240 N SER A 29 -1.654 -7.301 -12.646 1.00 0.00 N ATOM 241 CA SER A 29 -2.263 -8.538 -12.066 1.00 0.00 C ATOM 242 C SER A 29 -1.554 -8.743 -10.721 1.00 0.00 C ATOM 243 O SER A 29 -0.333 -8.795 -10.718 1.00 0.00 O ATOM 244 CB SER A 29 -2.127 -9.714 -13.054 1.00 0.00 C ATOM 245 OG SER A 29 -2.977 -10.788 -12.648 1.00 0.00 O ATOM 0 H SER A 29 -0.639 -7.333 -12.746 1.00 0.00 H new ATOM 0 HA SER A 29 -3.337 -8.460 -11.896 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.392 -9.388 -14.060 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.091 -10.052 -13.091 1.00 0.00 H new ATOM 0 HG SER A 29 -3.913 -10.502 -12.699 1.00 0.00 H new ATOM 246 N MET A 30 -2.239 -8.689 -9.574 1.00 0.00 N ATOM 247 CA MET A 30 -1.660 -8.107 -8.322 1.00 0.00 C ATOM 248 C MET A 30 -0.199 -8.456 -7.933 1.00 0.00 C ATOM 249 O MET A 30 0.516 -7.536 -7.592 1.00 0.00 O ATOM 250 CB MET A 30 -2.475 -8.521 -7.101 1.00 0.00 C ATOM 251 CG MET A 30 -3.910 -8.117 -7.015 1.00 0.00 C ATOM 252 SD MET A 30 -4.713 -9.293 -5.915 1.00 0.00 S ATOM 253 CE MET A 30 -4.731 -8.259 -4.461 1.00 0.00 C ATOM 0 H MET A 30 -3.193 -9.035 -9.469 1.00 0.00 H new ATOM 0 HA MET A 30 -1.685 -7.048 -8.579 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.435 -9.608 -7.032 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.969 -8.127 -6.219 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.004 -7.101 -6.631 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.375 -8.129 -8.001 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.639 -8.881 -3.571 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.897 -7.559 -4.502 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.669 -7.705 -4.420 1.00 0.00 H new ATOM 254 N ASN A 31 0.352 -9.672 -8.014 1.00 0.00 N ATOM 255 CA ASN A 31 1.837 -9.814 -7.899 1.00 0.00 C ATOM 256 C ASN A 31 2.680 -8.810 -8.803 1.00 0.00 C ATOM 257 O ASN A 31 3.536 -8.118 -8.263 1.00 0.00 O ATOM 258 CB ASN A 31 2.272 -11.300 -7.987 1.00 0.00 C ATOM 259 CG ASN A 31 3.339 -11.700 -6.970 1.00 0.00 C ATOM 260 OD1 ASN A 31 3.154 -12.604 -6.167 1.00 0.00 O ATOM 261 ND2 ASN A 31 4.436 -10.996 -6.903 1.00 0.00 N ATOM 0 H ASN A 31 -0.163 -10.542 -8.152 1.00 0.00 H new ATOM 0 HA ASN A 31 2.099 -9.481 -6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.396 -11.933 -7.846 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.650 -11.498 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.131 -11.202 -6.185 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.598 -10.240 -7.569 1.00 0.00 H new ATOM 262 N SER A 32 2.276 -8.576 -10.067 1.00 0.00 N ATOM 263 CA SER A 32 2.420 -7.254 -10.759 1.00 0.00 C ATOM 264 C SER A 32 1.879 -5.940 -10.089 1.00 0.00 C ATOM 265 O SER A 32 2.709 -5.070 -9.818 1.00 0.00 O ATOM 266 CB SER A 32 2.070 -7.432 -12.258 1.00 0.00 C ATOM 267 OG SER A 32 2.250 -6.224 -13.000 1.00 0.00 O ATOM 0 H SER A 32 1.839 -9.291 -10.648 1.00 0.00 H new ATOM 0 HA SER A 32 3.473 -7.001 -10.634 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.696 -8.216 -12.685 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.036 -7.763 -12.351 1.00 0.00 H new ATOM 0 HG SER A 32 2.020 -6.380 -13.940 1.00 0.00 H new ATOM 268 N GLU A 33 0.573 -5.718 -9.835 1.00 0.00 N ATOM 269 CA GLU A 33 0.123 -4.404 -9.238 1.00 0.00 C ATOM 270 C GLU A 33 0.446 -4.139 -7.755 1.00 0.00 C ATOM 271 O GLU A 33 0.964 -3.083 -7.418 1.00 0.00 O ATOM 272 CB GLU A 33 -1.376 -4.136 -9.303 1.00 0.00 C ATOM 273 CG GLU A 33 -1.807 -2.651 -9.046 1.00 0.00 C ATOM 274 CD GLU A 33 -1.017 -1.477 -9.629 1.00 0.00 C ATOM 275 OE1 GLU A 33 0.125 -1.173 -9.305 1.00 0.00 O ATOM 276 OE2 GLU A 33 -1.712 -0.826 -10.584 1.00 0.00 O ATOM 0 H GLU A 33 -0.175 -6.387 -10.018 1.00 0.00 H new ATOM 0 HA GLU A 33 0.713 -3.758 -9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.739 -4.437 -10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.873 -4.772 -8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.832 -2.552 -9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.832 -2.511 -7.965 1.00 0.00 H new ATOM 277 N LEU A 34 0.066 -5.066 -6.860 1.00 0.00 N ATOM 278 CA LEU A 34 0.614 -5.155 -5.502 1.00 0.00 C ATOM 279 C LEU A 34 2.136 -4.841 -5.537 1.00 0.00 C ATOM 280 O LEU A 34 2.496 -3.888 -4.868 1.00 0.00 O ATOM 281 CB LEU A 34 0.306 -6.556 -4.915 1.00 0.00 C ATOM 282 CG LEU A 34 -0.126 -6.640 -3.446 1.00 0.00 C ATOM 283 CD1 LEU A 34 -0.036 -8.043 -2.849 1.00 0.00 C ATOM 284 CD2 LEU A 34 0.561 -5.669 -2.474 1.00 0.00 C ATOM 0 H LEU A 34 -0.635 -5.778 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 34 0.147 -4.419 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.480 -7.007 -5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.196 -7.173 -5.037 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.168 -6.333 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.359 -8.017 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.679 -8.720 -3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.994 -8.395 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.172 -5.825 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.636 -5.849 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.363 -4.643 -2.784 1.00 0.00 H new ATOM 285 N LEU A 35 3.025 -5.496 -6.348 1.00 0.00 N ATOM 286 CA LEU A 35 4.447 -5.067 -6.366 1.00 0.00 C ATOM 287 C LEU A 35 4.684 -3.649 -6.872 1.00 0.00 C ATOM 288 O LEU A 35 5.282 -2.870 -6.146 1.00 0.00 O ATOM 289 CB LEU A 35 5.412 -6.004 -7.121 1.00 0.00 C ATOM 290 CG LEU A 35 5.946 -7.183 -6.304 1.00 0.00 C ATOM 291 CD1 LEU A 35 6.881 -7.975 -7.192 1.00 0.00 C ATOM 292 CD2 LEU A 35 6.669 -6.667 -5.036 1.00 0.00 C ATOM 0 H LEU A 35 2.794 -6.277 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 35 4.679 -5.112 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.900 -6.394 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.258 -5.417 -7.478 1.00 0.00 H new ATOM 0 HG LEU A 35 5.131 -7.825 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.279 -8.824 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.336 -8.336 -8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.703 -7.337 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.045 -7.514 -4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.502 -6.027 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.970 -6.096 -4.425 1.00 0.00 H new ATOM 293 N GLN A 36 4.215 -3.312 -8.066 1.00 0.00 N ATOM 294 CA GLN A 36 4.325 -1.935 -8.588 1.00 0.00 C ATOM 295 C GLN A 36 3.783 -0.820 -7.634 1.00 0.00 C ATOM 296 O GLN A 36 4.510 0.148 -7.446 1.00 0.00 O ATOM 297 CB GLN A 36 3.738 -1.944 -10.024 1.00 0.00 C ATOM 298 CG GLN A 36 4.138 -0.747 -10.930 1.00 0.00 C ATOM 299 CD GLN A 36 3.734 0.666 -10.497 1.00 0.00 C ATOM 300 OE1 GLN A 36 4.541 1.588 -10.443 1.00 0.00 O ATOM 301 NE2 GLN A 36 2.503 0.872 -10.117 1.00 0.00 N ATOM 0 H GLN A 36 3.753 -3.965 -8.699 1.00 0.00 H new ATOM 0 HA GLN A 36 5.373 -1.639 -8.637 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.048 -2.866 -10.516 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.651 -1.971 -9.951 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.222 -0.762 -11.040 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.715 -0.924 -11.919 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.823 0.113 -10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.221 1.792 -9.780 1.00 0.00 H new ATOM 302 N ILE A 37 2.615 -0.949 -6.980 1.00 0.00 N ATOM 303 CA ILE A 37 2.190 -0.006 -5.908 1.00 0.00 C ATOM 304 C ILE A 37 3.037 -0.090 -4.596 1.00 0.00 C ATOM 305 O ILE A 37 3.217 0.928 -3.976 1.00 0.00 O ATOM 306 CB ILE A 37 0.647 -0.190 -5.642 1.00 0.00 C ATOM 307 CG1 ILE A 37 -0.149 1.124 -5.448 1.00 0.00 C ATOM 308 CG2 ILE A 37 0.349 -1.187 -4.494 1.00 0.00 C ATOM 309 CD1 ILE A 37 0.193 1.995 -4.230 1.00 0.00 C ATOM 0 H ILE A 37 1.943 -1.693 -7.168 1.00 0.00 H new ATOM 0 HA ILE A 37 2.381 1.004 -6.270 1.00 0.00 H new ATOM 0 HB ILE A 37 0.283 -0.620 -6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.015 1.732 -6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.207 0.869 -5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.729 -1.273 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.762 -2.164 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.804 -0.826 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.443 2.880 -4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.027 1.424 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.238 2.300 -4.283 1.00 0.00 H new ATOM 310 N VAL A 38 3.426 -1.263 -4.094 1.00 0.00 N ATOM 311 CA VAL A 38 4.199 -1.474 -2.835 1.00 0.00 C ATOM 312 C VAL A 38 5.703 -1.010 -3.001 1.00 0.00 C ATOM 313 O VAL A 38 6.253 -0.324 -2.143 1.00 0.00 O ATOM 314 CB VAL A 38 4.144 -3.006 -2.531 1.00 0.00 C ATOM 315 CG1 VAL A 38 5.202 -3.709 -1.657 1.00 0.00 C ATOM 316 CG2 VAL A 38 2.765 -3.398 -1.961 1.00 0.00 C ATOM 0 H VAL A 38 3.209 -2.142 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 38 3.771 -0.886 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 38 4.377 -3.371 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.965 -4.770 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.186 -3.589 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.204 -3.266 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.747 -4.468 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.584 -2.848 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.989 -3.154 -2.686 1.00 0.00 H new ATOM 317 N GLN A 39 6.364 -1.402 -4.121 1.00 0.00 N ATOM 318 CA GLN A 39 7.541 -0.698 -4.699 1.00 0.00 C ATOM 319 C GLN A 39 7.323 0.830 -4.924 1.00 0.00 C ATOM 320 O GLN A 39 8.171 1.618 -4.503 1.00 0.00 O ATOM 321 CB GLN A 39 7.886 -1.371 -6.065 1.00 0.00 C ATOM 322 CG GLN A 39 8.532 -2.784 -5.990 1.00 0.00 C ATOM 323 CD GLN A 39 8.730 -3.587 -7.284 1.00 0.00 C ATOM 324 OE1 GLN A 39 8.854 -4.805 -7.265 1.00 0.00 O ATOM 325 NE2 GLN A 39 8.800 -2.985 -8.444 1.00 0.00 N ATOM 0 H GLN A 39 6.091 -2.227 -4.656 1.00 0.00 H new ATOM 0 HA GLN A 39 8.353 -0.784 -3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.971 -1.443 -6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.563 -0.713 -6.610 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.509 -2.673 -5.520 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.922 -3.388 -5.319 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.701 -1.971 -8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.953 -3.530 -9.293 1.00 0.00 H new ATOM 326 N ASP A 40 6.155 1.274 -5.451 1.00 0.00 N ATOM 327 CA ASP A 40 5.673 2.660 -5.203 1.00 0.00 C ATOM 328 C ASP A 40 5.757 3.109 -3.714 1.00 0.00 C ATOM 329 O ASP A 40 6.437 4.072 -3.366 1.00 0.00 O ATOM 330 CB ASP A 40 4.385 3.166 -5.918 1.00 0.00 C ATOM 331 CG ASP A 40 4.218 3.041 -7.432 1.00 0.00 C ATOM 332 OD1 ASP A 40 5.395 3.017 -8.115 1.00 0.00 O ATOM 333 OD2 ASP A 40 3.120 2.962 -7.973 1.00 0.00 O ATOM 0 H ASP A 40 5.540 0.709 -6.037 1.00 0.00 H new ATOM 0 HA ASP A 40 6.436 3.200 -5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.543 2.647 -5.461 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.279 4.223 -5.672 1.00 0.00 H new ATOM 334 N ALA A 41 5.119 2.339 -2.845 1.00 0.00 N ATOM 335 CA ALA A 41 4.615 2.807 -1.553 1.00 0.00 C ATOM 336 C ALA A 41 5.590 2.863 -0.358 1.00 0.00 C ATOM 337 O ALA A 41 5.601 3.849 0.386 1.00 0.00 O ATOM 338 CB ALA A 41 3.242 2.153 -1.377 1.00 0.00 C ATOM 0 H ALA A 41 4.931 1.351 -3.017 1.00 0.00 H new ATOM 0 HA ALA A 41 4.494 3.890 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.810 2.464 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.586 2.460 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.351 1.069 -1.388 1.00 0.00 H new ATOM 566 N PRO B 5 -9.403 -13.556 -0.523 1.00 0.00 N ATOM 567 CA PRO B 5 -8.026 -13.901 -0.064 1.00 0.00 C ATOM 568 C PRO B 5 -6.827 -14.250 -0.964 1.00 0.00 C ATOM 569 O PRO B 5 -5.917 -13.435 -1.121 1.00 0.00 O ATOM 570 CB PRO B 5 -8.253 -14.677 1.240 1.00 0.00 C ATOM 571 CG PRO B 5 -9.431 -13.922 1.849 1.00 0.00 C ATOM 572 CD PRO B 5 -10.075 -13.131 0.711 1.00 0.00 C ATOM 0 HA PRO B 5 -7.479 -12.962 0.016 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -8.489 -15.725 1.057 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -7.376 -14.657 1.886 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -10.146 -14.613 2.294 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -9.095 -13.255 2.643 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -11.146 -13.329 0.658 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -9.957 -12.059 0.868 1.00 0.00 H new ATOM 573 N HIS B 6 -6.753 -15.506 -1.342 1.00 0.00 N ATOM 574 CA HIS B 6 -5.449 -16.172 -1.602 1.00 0.00 C ATOM 575 C HIS B 6 -4.747 -15.778 -2.943 1.00 0.00 C ATOM 576 O HIS B 6 -5.091 -16.274 -4.023 1.00 0.00 O ATOM 577 CB HIS B 6 -5.611 -17.719 -1.568 1.00 0.00 C ATOM 578 CG HIS B 6 -6.070 -18.387 -0.274 1.00 0.00 C ATOM 579 ND1 HIS B 6 -7.361 -18.358 0.226 1.00 0.00 N ATOM 580 CD2 HIS B 6 -5.205 -19.003 0.632 1.00 0.00 C ATOM 581 CE1 HIS B 6 -7.144 -18.970 1.433 1.00 0.00 C ATOM 582 NE2 HIS B 6 -5.893 -19.415 1.759 1.00 0.00 N ATOM 0 H HIS B 6 -7.566 -16.106 -1.483 1.00 0.00 H new ATOM 0 HA HIS B 6 -4.803 -15.814 -0.800 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -6.320 -17.993 -2.349 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -4.651 -18.156 -1.842 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -4.145 -19.139 0.475 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -7.961 -19.101 2.127 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -5.564 -19.907 2.590 1.00 0.00 H new ATOM 583 N PHE B 7 -3.615 -15.071 -2.854 1.00 0.00 N ATOM 584 CA PHE B 7 -2.402 -15.518 -3.579 1.00 0.00 C ATOM 585 C PHE B 7 -1.246 -15.732 -2.549 1.00 0.00 C ATOM 586 O PHE B 7 -1.444 -15.825 -1.327 1.00 0.00 O ATOM 587 CB PHE B 7 -2.166 -14.635 -4.843 1.00 0.00 C ATOM 588 CG PHE B 7 -1.692 -13.177 -4.696 1.00 0.00 C ATOM 589 CD1 PHE B 7 -2.590 -12.142 -4.386 1.00 0.00 C ATOM 590 CD2 PHE B 7 -0.373 -12.844 -5.034 1.00 0.00 C ATOM 591 CE1 PHE B 7 -2.180 -10.818 -4.455 1.00 0.00 C ATOM 592 CE2 PHE B 7 0.023 -11.519 -5.088 1.00 0.00 C ATOM 593 CZ PHE B 7 -0.888 -10.513 -4.853 1.00 0.00 C ATOM 0 H PHE B 7 -3.505 -14.215 -2.310 1.00 0.00 H new ATOM 0 HA PHE B 7 -2.500 -16.503 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -1.434 -15.151 -5.465 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -3.102 -14.615 -5.402 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -3.603 -12.377 -4.093 1.00 0.00 H new ATOM 0 HD2 PHE B 7 0.339 -13.626 -5.254 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.868 -10.026 -4.199 1.00 0.00 H new ATOM 0 HE2 PHE B 7 1.050 -11.273 -5.315 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.594 -9.482 -4.980 1.00 0.00 H new ATOM 594 N ASN B 8 -0.015 -15.859 -3.037 1.00 0.00 N ATOM 595 CA ASN B 8 1.173 -15.772 -2.163 1.00 0.00 C ATOM 596 C ASN B 8 1.988 -14.525 -2.610 1.00 0.00 C ATOM 597 O ASN B 8 2.629 -14.609 -3.662 1.00 0.00 O ATOM 598 CB ASN B 8 1.979 -17.097 -2.244 1.00 0.00 C ATOM 599 CG ASN B 8 1.392 -18.343 -1.578 1.00 0.00 C ATOM 600 OD1 ASN B 8 0.265 -18.407 -1.106 1.00 0.00 O ATOM 601 ND2 ASN B 8 2.153 -19.404 -1.527 1.00 0.00 N ATOM 0 H ASN B 8 0.195 -16.021 -4.022 1.00 0.00 H new ATOM 0 HA ASN B 8 0.904 -15.648 -1.114 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.137 -17.326 -3.298 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.961 -16.917 -1.806 1.00 0.00 H new ATOM 0 HD21 ASN B 8 1.804 -20.262 -1.100 1.00 0.00 H new ATOM 0 HD22 ASN B 8 3.096 -19.374 -1.914 1.00 0.00 H new ATOM 602 N PHE B 9 2.003 -13.377 -1.879 1.00 0.00 N ATOM 603 CA PHE B 9 2.851 -12.227 -2.273 1.00 0.00 C ATOM 604 C PHE B 9 4.389 -12.477 -2.034 1.00 0.00 C ATOM 605 O PHE B 9 4.992 -12.389 -0.961 1.00 0.00 O ATOM 606 CB PHE B 9 2.304 -10.891 -1.726 1.00 0.00 C ATOM 607 CG PHE B 9 2.865 -9.628 -2.413 1.00 0.00 C ATOM 608 CD1 PHE B 9 3.025 -9.534 -3.810 1.00 0.00 C ATOM 609 CD2 PHE B 9 2.991 -8.456 -1.657 1.00 0.00 C ATOM 610 CE1 PHE B 9 3.293 -8.316 -4.407 1.00 0.00 C ATOM 611 CE2 PHE B 9 3.395 -7.276 -2.242 1.00 0.00 C ATOM 612 CZ PHE B 9 3.455 -7.192 -3.611 1.00 0.00 C ATOM 0 H PHE B 9 1.451 -13.228 -1.035 1.00 0.00 H new ATOM 0 HA PHE B 9 2.782 -12.130 -3.356 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.219 -10.891 -1.828 1.00 0.00 H new ATOM 0 HB3 PHE B 9 2.524 -10.835 -0.660 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.938 -10.421 -4.420 1.00 0.00 H new ATOM 0 HD2 PHE B 9 2.768 -8.477 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE B 9 3.375 -8.241 -5.481 1.00 0.00 H new ATOM 0 HE2 PHE B 9 3.662 -6.427 -1.631 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.632 -6.234 -4.076 1.00 0.00 H new ATOM 613 N ARG B 10 4.907 -12.959 -3.145 1.00 0.00 N ATOM 614 CA ARG B 10 6.344 -13.119 -3.461 1.00 0.00 C ATOM 615 C ARG B 10 6.958 -11.795 -3.956 1.00 0.00 C ATOM 616 O ARG B 10 6.437 -11.115 -4.848 1.00 0.00 O ATOM 617 CB ARG B 10 6.744 -14.236 -4.464 1.00 0.00 C ATOM 618 CG ARG B 10 5.990 -14.293 -5.797 1.00 0.00 C ATOM 619 CD ARG B 10 6.762 -15.047 -6.894 1.00 0.00 C ATOM 620 NE ARG B 10 5.876 -15.308 -8.060 1.00 0.00 N ATOM 621 CZ ARG B 10 5.693 -14.491 -9.092 1.00 0.00 C ATOM 622 NH1 ARG B 10 6.270 -13.333 -9.224 1.00 0.00 N ATOM 623 NH2 ARG B 10 4.892 -14.879 -10.020 1.00 0.00 N ATOM 0 H ARG B 10 4.312 -13.275 -3.911 1.00 0.00 H new ATOM 0 HA ARG B 10 6.746 -13.436 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG B 10 7.806 -14.127 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG B 10 6.618 -15.197 -3.965 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.025 -14.776 -5.642 1.00 0.00 H new ATOM 0 HG3 ARG B 10 5.787 -13.277 -6.137 1.00 0.00 H new ATOM 0 HD2 ARG B 10 7.626 -14.461 -7.209 1.00 0.00 H new ATOM 0 HD3 ARG B 10 7.142 -15.989 -6.499 1.00 0.00 H new ATOM 0 HE ARG B 10 5.365 -16.191 -8.068 1.00 0.00 H new ATOM 0 HH11 ARG B 10 6.912 -12.998 -8.506 1.00 0.00 H new ATOM 0 HH12 ARG B 10 6.080 -12.759 -10.046 1.00 0.00 H new ATOM 0 HH21 ARG B 10 4.426 -15.783 -9.946 1.00 0.00 H new ATOM 0 HH22 ARG B 10 4.723 -14.283 -10.830 1.00 0.00 H new ATOM 624 N MET B 11 8.083 -11.443 -3.349 1.00 0.00 N ATOM 625 CA MET B 11 8.589 -10.051 -3.453 1.00 0.00 C ATOM 626 C MET B 11 10.132 -10.014 -3.710 1.00 0.00 C ATOM 627 O MET B 11 10.865 -10.543 -2.865 1.00 0.00 O ATOM 628 CB MET B 11 8.121 -9.300 -2.181 1.00 0.00 C ATOM 629 CG MET B 11 6.626 -8.935 -2.142 1.00 0.00 C ATOM 630 SD MET B 11 6.271 -7.942 -0.693 1.00 0.00 S ATOM 631 CE MET B 11 5.395 -9.184 0.256 1.00 0.00 C ATOM 0 H MET B 11 8.661 -12.071 -2.790 1.00 0.00 H new ATOM 0 HA MET B 11 8.178 -9.538 -4.322 1.00 0.00 H new ATOM 0 HB2 MET B 11 8.350 -9.916 -1.311 1.00 0.00 H new ATOM 0 HB3 MET B 11 8.704 -8.384 -2.085 1.00 0.00 H new ATOM 0 HG2 MET B 11 6.354 -8.386 -3.044 1.00 0.00 H new ATOM 0 HG3 MET B 11 6.023 -9.843 -2.127 1.00 0.00 H new ATOM 0 HE1 MET B 11 4.976 -8.728 1.153 1.00 0.00 H new ATOM 0 HE2 MET B 11 4.590 -9.603 -0.348 1.00 0.00 H new ATOM 0 HE3 MET B 11 6.085 -9.978 0.541 1.00 0.00 H new ATOM 632 N PRO B 12 10.688 -9.397 -4.810 1.00 0.00 N ATOM 633 CA PRO B 12 12.149 -9.141 -4.971 1.00 0.00 C ATOM 634 C PRO B 12 12.885 -8.597 -3.722 1.00 0.00 C ATOM 635 O PRO B 12 12.283 -7.916 -2.886 1.00 0.00 O ATOM 636 CB PRO B 12 12.201 -8.187 -6.178 1.00 0.00 C ATOM 637 CG PRO B 12 10.963 -8.534 -7.000 1.00 0.00 C ATOM 638 CD PRO B 12 9.912 -8.886 -5.951 1.00 0.00 C ATOM 0 HA PRO B 12 12.696 -10.071 -5.123 1.00 0.00 H new ATOM 0 HB2 PRO B 12 12.186 -7.145 -5.860 1.00 0.00 H new ATOM 0 HB3 PRO B 12 13.113 -8.330 -6.757 1.00 0.00 H new ATOM 0 HG2 PRO B 12 10.645 -7.694 -7.618 1.00 0.00 H new ATOM 0 HG3 PRO B 12 11.152 -9.371 -7.673 1.00 0.00 H new ATOM 0 HD2 PRO B 12 9.322 -8.013 -5.671 1.00 0.00 H new ATOM 0 HD3 PRO B 12 9.214 -9.636 -6.324 1.00 0.00 H new ATOM 639 N MET B 13 14.144 -8.999 -3.528 1.00 0.00 N ATOM 640 CA MET B 13 14.709 -9.104 -2.151 1.00 0.00 C ATOM 641 C MET B 13 14.765 -7.794 -1.304 1.00 0.00 C ATOM 642 O MET B 13 14.514 -7.820 -0.102 1.00 0.00 O ATOM 643 CB MET B 13 16.061 -9.846 -2.232 1.00 0.00 C ATOM 644 CG MET B 13 16.722 -10.228 -0.889 1.00 0.00 C ATOM 645 SD MET B 13 15.548 -10.743 0.393 1.00 0.00 S ATOM 646 CE MET B 13 14.732 -12.186 -0.313 1.00 0.00 C ATOM 0 H MET B 13 14.789 -9.254 -4.276 1.00 0.00 H new ATOM 0 HA MET B 13 13.992 -9.682 -1.568 1.00 0.00 H new ATOM 0 HB2 MET B 13 15.915 -10.758 -2.811 1.00 0.00 H new ATOM 0 HB3 MET B 13 16.759 -9.222 -2.790 1.00 0.00 H new ATOM 0 HG2 MET B 13 17.432 -11.037 -1.063 1.00 0.00 H new ATOM 0 HG3 MET B 13 17.294 -9.375 -0.522 1.00 0.00 H new ATOM 0 HE1 MET B 13 13.655 -12.019 -0.339 1.00 0.00 H new ATOM 0 HE2 MET B 13 15.098 -12.352 -1.326 1.00 0.00 H new ATOM 0 HE3 MET B 13 14.948 -13.062 0.299 1.00 0.00 H new ATOM 647 N GLU B 14 14.993 -6.651 -1.953 1.00 0.00 N ATOM 648 CA GLU B 14 14.683 -5.325 -1.379 1.00 0.00 C ATOM 649 C GLU B 14 13.188 -5.029 -0.988 1.00 0.00 C ATOM 650 O GLU B 14 12.984 -4.594 0.136 1.00 0.00 O ATOM 651 CB GLU B 14 15.371 -4.263 -2.286 1.00 0.00 C ATOM 652 CG GLU B 14 14.708 -3.961 -3.659 1.00 0.00 C ATOM 653 CD GLU B 14 15.019 -4.944 -4.783 1.00 0.00 C ATOM 654 OE1 GLU B 14 16.186 -4.642 -5.418 1.00 0.00 O ATOM 655 OE2 GLU B 14 14.303 -5.898 -5.065 1.00 0.00 O ATOM 0 H GLU B 14 15.396 -6.610 -2.889 1.00 0.00 H new ATOM 0 HA GLU B 14 15.099 -5.287 -0.372 1.00 0.00 H new ATOM 0 HB2 GLU B 14 15.430 -3.329 -1.727 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.395 -4.589 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU B 14 13.627 -3.930 -3.519 1.00 0.00 H new ATOM 0 HG3 GLU B 14 15.017 -2.966 -3.978 1.00 0.00 H new ATOM 656 N VAL B 15 12.148 -5.255 -1.813 1.00 0.00 N ATOM 657 CA VAL B 15 10.704 -5.094 -1.409 1.00 0.00 C ATOM 658 C VAL B 15 10.304 -5.975 -0.211 1.00 0.00 C ATOM 659 O VAL B 15 9.648 -5.475 0.690 1.00 0.00 O ATOM 660 CB VAL B 15 9.683 -5.411 -2.562 1.00 0.00 C ATOM 661 CG1 VAL B 15 8.455 -4.488 -2.494 1.00 0.00 C ATOM 662 CG2 VAL B 15 10.208 -5.388 -4.014 1.00 0.00 C ATOM 0 H VAL B 15 12.266 -5.555 -2.781 1.00 0.00 H new ATOM 0 HA VAL B 15 10.646 -4.039 -1.142 1.00 0.00 H new ATOM 0 HB VAL B 15 9.440 -6.453 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL B 15 7.770 -4.734 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.950 -4.625 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.774 -3.450 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.394 -5.625 -4.699 1.00 0.00 H new ATOM 0 HG22 VAL B 15 10.599 -4.397 -4.244 1.00 0.00 H new ATOM 0 HG23 VAL B 15 11.002 -6.126 -4.125 1.00 0.00 H new ATOM 663 N ARG B 16 10.637 -7.270 -0.213 1.00 0.00 N ATOM 664 CA ARG B 16 10.414 -8.112 0.964 1.00 0.00 C ATOM 665 C ARG B 16 11.340 -7.835 2.163 1.00 0.00 C ATOM 666 O ARG B 16 10.810 -7.841 3.257 1.00 0.00 O ATOM 667 CB ARG B 16 10.386 -9.605 0.616 1.00 0.00 C ATOM 668 CG ARG B 16 9.276 -10.287 1.451 1.00 0.00 C ATOM 669 CD ARG B 16 9.615 -11.738 1.664 1.00 0.00 C ATOM 670 NE ARG B 16 8.676 -12.354 2.625 1.00 0.00 N ATOM 671 CZ ARG B 16 8.648 -13.650 2.916 1.00 0.00 C ATOM 672 NH1 ARG B 16 9.267 -14.568 2.237 1.00 0.00 N ATOM 673 NH2 ARG B 16 7.973 -14.015 3.944 1.00 0.00 N ATOM 0 H ARG B 16 11.057 -7.753 -1.007 1.00 0.00 H new ATOM 0 HA ARG B 16 9.422 -7.817 1.304 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.196 -9.742 -0.449 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.353 -10.061 0.828 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.171 -9.784 2.412 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.318 -10.200 0.939 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.573 -12.270 0.714 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.636 -11.828 2.035 1.00 0.00 H new ATOM 0 HE ARG B 16 8.006 -11.745 3.095 1.00 0.00 H new ATOM 0 HH11 ARG B 16 9.821 -14.312 1.420 1.00 0.00 H new ATOM 0 HH12 ARG B 16 9.199 -15.545 2.521 1.00 0.00 H new ATOM 0 HH21 ARG B 16 7.482 -13.319 4.505 1.00 0.00 H new ATOM 0 HH22 ARG B 16 7.927 -15.001 4.200 1.00 0.00 H new ATOM 674 N GLU B 17 12.634 -7.509 2.053 1.00 0.00 N ATOM 675 CA GLU B 17 13.332 -6.868 3.206 1.00 0.00 C ATOM 676 C GLU B 17 12.718 -5.492 3.645 1.00 0.00 C ATOM 677 O GLU B 17 12.646 -5.233 4.834 1.00 0.00 O ATOM 678 CB GLU B 17 14.839 -6.713 2.945 1.00 0.00 C ATOM 679 CG GLU B 17 15.666 -8.022 2.965 1.00 0.00 C ATOM 680 CD GLU B 17 17.161 -7.803 2.762 1.00 0.00 C ATOM 681 OE1 GLU B 17 17.479 -7.546 1.465 1.00 0.00 O ATOM 682 OE2 GLU B 17 17.989 -7.853 3.664 1.00 0.00 O ATOM 0 H GLU B 17 13.208 -7.663 1.224 1.00 0.00 H new ATOM 0 HA GLU B 17 13.180 -7.556 4.038 1.00 0.00 H new ATOM 0 HB2 GLU B 17 14.973 -6.236 1.974 1.00 0.00 H new ATOM 0 HB3 GLU B 17 15.250 -6.035 3.693 1.00 0.00 H new ATOM 0 HG2 GLU B 17 15.507 -8.527 3.918 1.00 0.00 H new ATOM 0 HG3 GLU B 17 15.296 -8.688 2.185 1.00 0.00 H new ATOM 683 N LYS B 18 12.216 -4.635 2.750 1.00 0.00 N ATOM 684 CA LYS B 18 11.430 -3.436 3.124 1.00 0.00 C ATOM 685 C LYS B 18 10.025 -3.721 3.754 1.00 0.00 C ATOM 686 O LYS B 18 9.752 -3.182 4.822 1.00 0.00 O ATOM 687 CB LYS B 18 11.500 -2.416 1.971 1.00 0.00 C ATOM 688 CG LYS B 18 12.867 -1.716 1.731 1.00 0.00 C ATOM 689 CD LYS B 18 12.970 -0.829 0.464 1.00 0.00 C ATOM 690 CE LYS B 18 13.093 -1.616 -0.845 1.00 0.00 C ATOM 691 NZ LYS B 18 13.625 -0.784 -1.939 1.00 0.00 N ATOM 0 H LYS B 18 12.339 -4.746 1.743 1.00 0.00 H new ATOM 0 HA LYS B 18 11.894 -2.960 3.988 1.00 0.00 H new ATOM 0 HB2 LYS B 18 11.214 -2.925 1.051 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.752 -1.645 2.155 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.093 -1.099 2.600 1.00 0.00 H new ATOM 0 HG3 LYS B 18 13.639 -2.483 1.676 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.089 -0.190 0.409 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.835 -0.173 0.563 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.746 -2.475 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.115 -2.005 -1.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.693 -1.353 -2.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.989 0.022 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.569 -0.433 -1.681 1.00 0.00 H new ATOM 692 N LEU B 19 9.172 -4.581 3.176 1.00 0.00 N ATOM 693 CA LEU B 19 7.876 -5.022 3.762 1.00 0.00 C ATOM 694 C LEU B 19 7.998 -5.971 5.012 1.00 0.00 C ATOM 695 O LEU B 19 7.223 -5.861 5.967 1.00 0.00 O ATOM 696 CB LEU B 19 6.969 -5.479 2.565 1.00 0.00 C ATOM 697 CG LEU B 19 5.530 -4.902 2.518 1.00 0.00 C ATOM 698 CD1 LEU B 19 4.782 -5.456 1.296 1.00 0.00 C ATOM 699 CD2 LEU B 19 4.675 -5.148 3.769 1.00 0.00 C ATOM 0 H LEU B 19 9.359 -5.004 2.267 1.00 0.00 H new ATOM 0 HA LEU B 19 7.366 -4.198 4.261 1.00 0.00 H new ATOM 0 HB2 LEU B 19 7.473 -5.212 1.636 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.898 -6.566 2.588 1.00 0.00 H new ATOM 0 HG LEU B 19 5.670 -3.823 2.458 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.772 -5.046 1.271 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.312 -5.173 0.386 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.730 -6.543 1.363 1.00 0.00 H new ATOM 0 HD21 LEU B 19 3.690 -4.703 3.629 1.00 0.00 H new ATOM 0 HD22 LEU B 19 4.569 -6.220 3.932 1.00 0.00 H new ATOM 0 HD23 LEU B 19 5.158 -4.695 4.635 1.00 0.00 H new ATOM 700 N LYS B 20 8.997 -6.868 5.031 1.00 0.00 N ATOM 701 CA LYS B 20 9.283 -7.813 6.118 1.00 0.00 C ATOM 702 C LYS B 20 10.225 -7.238 7.214 1.00 0.00 C ATOM 703 O LYS B 20 10.085 -7.676 8.346 1.00 0.00 O ATOM 704 CB LYS B 20 9.865 -9.134 5.571 1.00 0.00 C ATOM 705 CG LYS B 20 9.757 -10.363 6.495 1.00 0.00 C ATOM 706 CD LYS B 20 10.324 -11.676 5.914 1.00 0.00 C ATOM 707 CE LYS B 20 11.566 -11.556 5.014 1.00 0.00 C ATOM 708 NZ LYS B 20 12.007 -12.896 4.584 1.00 0.00 N ATOM 0 H LYS B 20 9.654 -6.957 4.256 1.00 0.00 H new ATOM 0 HA LYS B 20 8.321 -8.005 6.594 1.00 0.00 H new ATOM 0 HB2 LYS B 20 9.362 -9.367 4.632 1.00 0.00 H new ATOM 0 HB3 LYS B 20 10.917 -8.973 5.337 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.277 -10.143 7.427 1.00 0.00 H new ATOM 0 HG3 LYS B 20 8.707 -10.519 6.744 1.00 0.00 H new ATOM 0 HD2 LYS B 20 10.569 -12.337 6.745 1.00 0.00 H new ATOM 0 HD3 LYS B 20 9.535 -12.163 5.341 1.00 0.00 H new ATOM 0 HE2 LYS B 20 11.336 -10.942 4.143 1.00 0.00 H new ATOM 0 HE3 LYS B 20 12.370 -11.055 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 12.846 -12.807 3.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 12.244 -13.468 5.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 11.242 -13.359 4.052 1.00 0.00 H new ATOM 709 N PHE B 21 11.146 -6.277 6.960 1.00 0.00 N ATOM 710 CA PHE B 21 11.661 -5.376 8.029 1.00 0.00 C ATOM 711 C PHE B 21 10.525 -4.515 8.562 1.00 0.00 C ATOM 712 O PHE B 21 10.126 -4.920 9.632 1.00 0.00 O ATOM 713 CB PHE B 21 12.886 -4.495 7.686 1.00 0.00 C ATOM 714 CG PHE B 21 14.210 -5.187 7.399 1.00 0.00 C ATOM 715 CD1 PHE B 21 14.503 -6.492 7.805 1.00 0.00 C ATOM 716 CD2 PHE B 21 15.137 -4.476 6.641 1.00 0.00 C ATOM 717 CE1 PHE B 21 15.675 -7.102 7.392 1.00 0.00 C ATOM 718 CE2 PHE B 21 16.313 -5.081 6.232 1.00 0.00 C ATOM 719 CZ PHE B 21 16.588 -6.402 6.599 1.00 0.00 C ATOM 0 H PHE B 21 11.546 -6.104 6.038 1.00 0.00 H new ATOM 0 HA PHE B 21 12.047 -6.058 8.786 1.00 0.00 H new ATOM 0 HB2 PHE B 21 12.629 -3.892 6.815 1.00 0.00 H new ATOM 0 HB3 PHE B 21 13.043 -3.806 8.516 1.00 0.00 H new ATOM 0 HD1 PHE B 21 13.813 -7.026 8.442 1.00 0.00 H new ATOM 0 HD2 PHE B 21 14.938 -3.449 6.371 1.00 0.00 H new ATOM 0 HE1 PHE B 21 15.884 -8.121 7.683 1.00 0.00 H new ATOM 0 HE2 PHE B 21 17.020 -4.531 5.628 1.00 0.00 H new ATOM 0 HZ PHE B 21 17.500 -6.878 6.272 1.00 0.00 H new ATOM 720 N ARG B 22 9.930 -3.478 7.939 1.00 0.00 N ATOM 721 CA ARG B 22 8.609 -2.900 8.381 1.00 0.00 C ATOM 722 C ARG B 22 7.773 -3.765 9.423 1.00 0.00 C ATOM 723 O ARG B 22 7.794 -3.468 10.620 1.00 0.00 O ATOM 724 CB ARG B 22 7.926 -2.516 7.034 1.00 0.00 C ATOM 725 CG ARG B 22 6.481 -1.982 7.067 1.00 0.00 C ATOM 726 CD ARG B 22 6.283 -0.484 7.300 1.00 0.00 C ATOM 727 NE ARG B 22 6.488 0.264 6.034 1.00 0.00 N ATOM 728 CZ ARG B 22 6.852 1.539 5.948 1.00 0.00 C ATOM 729 NH1 ARG B 22 7.089 2.312 6.966 1.00 0.00 N ATOM 730 NH2 ARG B 22 6.980 2.040 4.774 1.00 0.00 N ATOM 0 H ARG B 22 10.330 -3.011 7.125 1.00 0.00 H new ATOM 0 HA ARG B 22 8.721 -2.028 9.025 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.547 -1.762 6.551 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.939 -3.397 6.393 1.00 0.00 H new ATOM 0 HG2 ARG B 22 6.006 -2.240 6.120 1.00 0.00 H new ATOM 0 HG3 ARG B 22 5.943 -2.517 7.850 1.00 0.00 H new ATOM 0 HD2 ARG B 22 5.279 -0.298 7.682 1.00 0.00 H new ATOM 0 HD3 ARG B 22 6.983 -0.131 8.057 1.00 0.00 H new ATOM 0 HE ARG B 22 6.337 -0.241 5.161 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.999 1.948 7.915 1.00 0.00 H new ATOM 0 HH12 ARG B 22 7.365 3.282 6.816 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.804 1.463 3.951 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.258 3.015 4.663 1.00 0.00 H new ATOM 731 N ALA B 23 7.389 -4.996 9.023 1.00 0.00 N ATOM 732 CA ALA B 23 6.982 -6.090 9.947 1.00 0.00 C ATOM 733 C ALA B 23 7.972 -6.536 11.108 1.00 0.00 C ATOM 734 O ALA B 23 7.729 -6.204 12.268 1.00 0.00 O ATOM 735 CB ALA B 23 6.530 -7.217 8.994 1.00 0.00 C ATOM 0 H ALA B 23 7.351 -5.267 8.040 1.00 0.00 H new ATOM 0 HA ALA B 23 6.195 -5.730 10.609 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.207 -8.079 9.577 1.00 0.00 H new ATOM 0 HB2 ALA B 23 5.702 -6.864 8.380 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.362 -7.505 8.351 1.00 0.00 H new ATOM 736 N GLU B 24 9.045 -7.288 10.811 1.00 0.00 N ATOM 737 CA GLU B 24 10.063 -7.800 11.793 1.00 0.00 C ATOM 738 C GLU B 24 11.020 -6.774 12.494 1.00 0.00 C ATOM 739 O GLU B 24 11.365 -6.956 13.662 1.00 0.00 O ATOM 740 CB GLU B 24 10.941 -8.900 11.125 1.00 0.00 C ATOM 741 CG GLU B 24 10.201 -10.125 10.530 1.00 0.00 C ATOM 742 CD GLU B 24 11.095 -11.260 10.032 1.00 0.00 C ATOM 743 OE1 GLU B 24 12.058 -10.836 9.169 1.00 0.00 O ATOM 744 OE2 GLU B 24 10.947 -12.433 10.354 1.00 0.00 O ATOM 0 H GLU B 24 9.250 -7.575 9.854 1.00 0.00 H new ATOM 0 HA GLU B 24 9.430 -8.167 12.601 1.00 0.00 H new ATOM 0 HB2 GLU B 24 11.520 -8.434 10.328 1.00 0.00 H new ATOM 0 HB3 GLU B 24 11.653 -9.262 11.867 1.00 0.00 H new ATOM 0 HG2 GLU B 24 9.528 -10.524 11.289 1.00 0.00 H new ATOM 0 HG3 GLU B 24 9.581 -9.785 9.701 1.00 0.00 H new ATOM 745 N ALA B 25 11.433 -5.703 11.798 1.00 0.00 N ATOM 746 CA ALA B 25 11.812 -4.402 12.413 1.00 0.00 C ATOM 747 C ALA B 25 10.934 -3.935 13.639 1.00 0.00 C ATOM 748 O ALA B 25 11.479 -3.478 14.645 1.00 0.00 O ATOM 749 CB ALA B 25 11.662 -3.300 11.337 1.00 0.00 C ATOM 0 H ALA B 25 11.517 -5.707 10.781 1.00 0.00 H new ATOM 0 HA ALA B 25 12.826 -4.551 12.784 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.935 -2.335 11.764 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.317 -3.522 10.495 1.00 0.00 H new ATOM 0 HB3 ALA B 25 10.628 -3.266 10.993 1.00 0.00 H new ATOM 750 N ASN B 26 9.581 -4.013 13.511 1.00 0.00 N ATOM 751 CA ASN B 26 8.638 -3.482 14.528 1.00 0.00 C ATOM 752 C ASN B 26 8.023 -4.508 15.555 1.00 0.00 C ATOM 753 O ASN B 26 7.957 -4.224 16.752 1.00 0.00 O ATOM 754 CB ASN B 26 7.632 -2.619 13.698 1.00 0.00 C ATOM 755 CG ASN B 26 6.186 -3.084 13.584 1.00 0.00 C ATOM 756 OD1 ASN B 26 5.414 -3.074 14.534 1.00 0.00 O ATOM 757 ND2 ASN B 26 5.748 -3.445 12.421 1.00 0.00 N ATOM 0 H ASN B 26 9.120 -4.441 12.708 1.00 0.00 H new ATOM 0 HA ASN B 26 9.163 -2.881 15.271 1.00 0.00 H new ATOM 0 HB2 ASN B 26 7.624 -1.617 14.128 1.00 0.00 H new ATOM 0 HB3 ASN B 26 8.030 -2.529 12.687 1.00 0.00 H new ATOM 0 HD21 ASN B 26 4.772 -3.716 12.305 1.00 0.00 H new ATOM 0 HD22 ASN B 26 6.379 -3.458 11.620 1.00 0.00 H new ATOM 758 N GLY B 27 7.453 -5.619 15.062 1.00 0.00 N ATOM 759 CA GLY B 27 6.333 -6.338 15.758 1.00 0.00 C ATOM 760 C GLY B 27 4.941 -6.460 15.057 1.00 0.00 C ATOM 761 O GLY B 27 3.941 -6.713 15.728 1.00 0.00 O ATOM 0 H GLY B 27 7.738 -6.053 14.184 1.00 0.00 H new ATOM 0 HA2 GLY B 27 6.679 -7.349 15.975 1.00 0.00 H new ATOM 0 HA3 GLY B 27 6.174 -5.844 16.716 1.00 0.00 H new ATOM 762 N ARG B 28 4.863 -6.369 13.722 1.00 0.00 N ATOM 763 CA ARG B 28 3.733 -6.894 12.900 1.00 0.00 C ATOM 764 C ARG B 28 4.379 -8.074 12.086 1.00 0.00 C ATOM 765 O ARG B 28 5.578 -8.074 11.800 1.00 0.00 O ATOM 766 CB ARG B 28 3.164 -5.687 12.100 1.00 0.00 C ATOM 767 CG ARG B 28 2.378 -4.575 12.857 1.00 0.00 C ATOM 768 CD ARG B 28 2.146 -3.212 12.121 1.00 0.00 C ATOM 769 NE ARG B 28 0.795 -2.672 12.328 1.00 0.00 N ATOM 770 CZ ARG B 28 0.389 -2.028 13.425 1.00 0.00 C ATOM 771 NH1 ARG B 28 1.118 -1.809 14.478 1.00 0.00 N ATOM 772 NH2 ARG B 28 -0.811 -1.595 13.440 1.00 0.00 N ATOM 0 H ARG B 28 5.589 -5.923 13.161 1.00 0.00 H new ATOM 0 HA ARG B 28 2.866 -7.301 13.420 1.00 0.00 H new ATOM 0 HB2 ARG B 28 4.000 -5.208 11.590 1.00 0.00 H new ATOM 0 HB3 ARG B 28 2.506 -6.086 11.328 1.00 0.00 H new ATOM 0 HG2 ARG B 28 1.403 -4.980 13.127 1.00 0.00 H new ATOM 0 HG3 ARG B 28 2.906 -4.367 13.788 1.00 0.00 H new ATOM 0 HD2 ARG B 28 2.879 -2.486 12.472 1.00 0.00 H new ATOM 0 HD3 ARG B 28 2.318 -3.348 11.053 1.00 0.00 H new ATOM 0 HE ARG B 28 0.116 -2.799 11.577 1.00 0.00 H new ATOM 0 HH11 ARG B 28 2.083 -2.139 14.508 1.00 0.00 H new ATOM 0 HH12 ARG B 28 0.726 -1.307 15.274 1.00 0.00 H new ATOM 0 HH21 ARG B 28 -1.418 -1.747 12.634 1.00 0.00 H new ATOM 0 HH22 ARG B 28 -1.163 -1.097 14.258 1.00 0.00 H new ATOM 773 N SER B 29 3.661 -9.152 11.760 1.00 0.00 N ATOM 774 CA SER B 29 4.302 -10.355 11.122 1.00 0.00 C ATOM 775 C SER B 29 3.723 -10.429 9.701 1.00 0.00 C ATOM 776 O SER B 29 2.512 -10.551 9.631 1.00 0.00 O ATOM 777 CB SER B 29 4.001 -11.604 11.977 1.00 0.00 C ATOM 778 OG SER B 29 4.649 -12.753 11.428 1.00 0.00 O ATOM 0 H SER B 29 2.656 -9.238 11.914 1.00 0.00 H new ATOM 0 HA SER B 29 5.389 -10.292 11.064 1.00 0.00 H new ATOM 0 HB2 SER B 29 4.340 -11.442 13.000 1.00 0.00 H new ATOM 0 HB3 SER B 29 2.925 -11.772 12.020 1.00 0.00 H new ATOM 0 HG SER B 29 4.450 -13.537 11.982 1.00 0.00 H new ATOM 779 N MET B 30 4.456 -10.212 8.592 1.00 0.00 N ATOM 780 CA MET B 30 3.890 -9.532 7.381 1.00 0.00 C ATOM 781 C MET B 30 2.440 -9.881 6.933 1.00 0.00 C ATOM 782 O MET B 30 1.687 -8.956 6.729 1.00 0.00 O ATOM 783 CB MET B 30 4.734 -9.760 6.123 1.00 0.00 C ATOM 784 CG MET B 30 6.127 -9.213 6.040 1.00 0.00 C ATOM 785 SD MET B 30 6.940 -10.090 4.695 1.00 0.00 S ATOM 786 CE MET B 30 6.859 -8.820 3.436 1.00 0.00 C ATOM 0 H MET B 30 5.433 -10.490 8.496 1.00 0.00 H new ATOM 0 HA MET B 30 3.893 -8.508 7.754 1.00 0.00 H new ATOM 0 HB2 MET B 30 4.800 -10.837 5.969 1.00 0.00 H new ATOM 0 HB3 MET B 30 4.176 -9.351 5.281 1.00 0.00 H new ATOM 0 HG2 MET B 30 6.112 -8.140 5.850 1.00 0.00 H new ATOM 0 HG3 MET B 30 6.660 -9.363 6.979 1.00 0.00 H new ATOM 0 HE1 MET B 30 6.838 -9.285 2.451 1.00 0.00 H new ATOM 0 HE2 MET B 30 5.956 -8.226 3.576 1.00 0.00 H new ATOM 0 HE3 MET B 30 7.734 -8.175 3.514 1.00 0.00 H new ATOM 787 N ASN B 31 1.932 -11.113 6.841 1.00 0.00 N ATOM 788 CA ASN B 31 0.448 -11.305 6.726 1.00 0.00 C ATOM 789 C ASN B 31 -0.439 -10.421 7.713 1.00 0.00 C ATOM 790 O ASN B 31 -1.313 -9.709 7.237 1.00 0.00 O ATOM 791 CB ASN B 31 0.139 -12.824 6.755 1.00 0.00 C ATOM 792 CG ASN B 31 -1.324 -13.172 6.491 1.00 0.00 C ATOM 793 OD1 ASN B 31 -2.079 -13.570 7.368 1.00 0.00 O ATOM 794 ND2 ASN B 31 -1.774 -12.963 5.289 1.00 0.00 N ATOM 0 H ASN B 31 2.483 -11.972 6.842 1.00 0.00 H new ATOM 0 HA ASN B 31 0.133 -10.904 5.763 1.00 0.00 H new ATOM 0 HB2 ASN B 31 0.759 -13.323 6.011 1.00 0.00 H new ATOM 0 HB3 ASN B 31 0.425 -13.223 7.728 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -2.757 -13.131 5.076 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -1.144 -12.631 4.559 1.00 0.00 H new ATOM 795 N SER B 32 -0.063 -10.312 8.997 1.00 0.00 N ATOM 796 CA SER B 32 -0.307 -9.098 9.843 1.00 0.00 C ATOM 797 C SER B 32 0.237 -7.689 9.402 1.00 0.00 C ATOM 798 O SER B 32 -0.595 -6.794 9.233 1.00 0.00 O ATOM 799 CB SER B 32 -0.019 -9.444 11.322 1.00 0.00 C ATOM 800 OG SER B 32 -0.870 -10.493 11.784 1.00 0.00 O ATOM 0 H SER B 32 0.422 -11.059 9.494 1.00 0.00 H new ATOM 0 HA SER B 32 -1.363 -8.889 9.672 1.00 0.00 H new ATOM 0 HB2 SER B 32 1.023 -9.743 11.431 1.00 0.00 H new ATOM 0 HB3 SER B 32 -0.163 -8.558 11.940 1.00 0.00 H new ATOM 0 HG SER B 32 -0.665 -10.692 12.721 1.00 0.00 H new ATOM 801 N GLU B 33 1.551 -7.415 9.219 1.00 0.00 N ATOM 802 CA GLU B 33 1.994 -6.052 8.744 1.00 0.00 C ATOM 803 C GLU B 33 1.589 -5.693 7.292 1.00 0.00 C ATOM 804 O GLU B 33 0.913 -4.692 7.124 1.00 0.00 O ATOM 805 CB GLU B 33 3.518 -5.853 8.748 1.00 0.00 C ATOM 806 CG GLU B 33 4.023 -4.384 8.867 1.00 0.00 C ATOM 807 CD GLU B 33 3.394 -3.321 7.978 1.00 0.00 C ATOM 808 OE1 GLU B 33 3.714 -3.168 6.809 1.00 0.00 O ATOM 809 OE2 GLU B 33 2.364 -2.666 8.580 1.00 0.00 O ATOM 0 H GLU B 33 2.307 -8.080 9.381 1.00 0.00 H new ATOM 0 HA GLU B 33 1.483 -5.418 9.469 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.935 -6.426 9.576 1.00 0.00 H new ATOM 0 HB3 GLU B 33 3.921 -6.280 7.830 1.00 0.00 H new ATOM 0 HG2 GLU B 33 3.888 -4.071 9.902 1.00 0.00 H new ATOM 0 HG3 GLU B 33 5.095 -4.386 8.672 1.00 0.00 H new ATOM 810 N LEU B 34 2.044 -6.439 6.251 1.00 0.00 N ATOM 811 CA LEU B 34 1.487 -6.426 4.879 1.00 0.00 C ATOM 812 C LEU B 34 -0.030 -6.153 4.948 1.00 0.00 C ATOM 813 O LEU B 34 -0.405 -5.150 4.368 1.00 0.00 O ATOM 814 CB LEU B 34 1.881 -7.733 4.117 1.00 0.00 C ATOM 815 CG LEU B 34 2.313 -7.729 2.623 1.00 0.00 C ATOM 816 CD1 LEU B 34 2.026 -9.033 1.854 1.00 0.00 C ATOM 817 CD2 LEU B 34 1.672 -6.629 1.775 1.00 0.00 C ATOM 0 H LEU B 34 2.830 -7.082 6.349 1.00 0.00 H new ATOM 0 HA LEU B 34 1.918 -5.615 4.292 1.00 0.00 H new ATOM 0 HB2 LEU B 34 2.699 -8.187 4.677 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.029 -8.408 4.194 1.00 0.00 H new ATOM 0 HG LEU B 34 3.386 -7.571 2.736 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.364 -8.929 0.823 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.556 -9.859 2.328 1.00 0.00 H new ATOM 0 HD13 LEU B 34 0.955 -9.235 1.867 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.032 -6.704 0.749 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.588 -6.744 1.789 1.00 0.00 H new ATOM 0 HD23 LEU B 34 1.939 -5.654 2.182 1.00 0.00 H new ATOM 818 N LEU B 35 -0.896 -6.888 5.710 1.00 0.00 N ATOM 819 CA LEU B 35 -2.327 -6.505 5.782 1.00 0.00 C ATOM 820 C LEU B 35 -2.598 -5.128 6.381 1.00 0.00 C ATOM 821 O LEU B 35 -3.243 -4.329 5.721 1.00 0.00 O ATOM 822 CB LEU B 35 -3.260 -7.523 6.484 1.00 0.00 C ATOM 823 CG LEU B 35 -3.845 -8.608 5.570 1.00 0.00 C ATOM 824 CD1 LEU B 35 -4.813 -9.460 6.373 1.00 0.00 C ATOM 825 CD2 LEU B 35 -4.597 -7.939 4.393 1.00 0.00 C ATOM 0 H LEU B 35 -0.638 -7.710 6.256 1.00 0.00 H new ATOM 0 HA LEU B 35 -2.573 -6.488 4.720 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -2.705 -8.007 7.287 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -4.082 -6.979 6.948 1.00 0.00 H new ATOM 0 HG LEU B 35 -3.043 -9.233 5.176 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -5.234 -10.234 5.732 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -4.284 -9.926 7.205 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -5.616 -8.832 6.759 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -5.013 -8.708 3.743 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -5.404 -7.318 4.783 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -3.904 -7.319 3.824 1.00 0.00 H new ATOM 826 N GLN B 36 -2.111 -4.838 7.579 1.00 0.00 N ATOM 827 CA GLN B 36 -2.261 -3.490 8.158 1.00 0.00 C ATOM 828 C GLN B 36 -1.620 -2.322 7.330 1.00 0.00 C ATOM 829 O GLN B 36 -2.292 -1.302 7.219 1.00 0.00 O ATOM 830 CB GLN B 36 -1.889 -3.563 9.655 1.00 0.00 C ATOM 831 CG GLN B 36 -2.426 -2.361 10.480 1.00 0.00 C ATOM 832 CD GLN B 36 -1.809 -0.971 10.235 1.00 0.00 C ATOM 833 OE1 GLN B 36 -2.476 0.051 10.147 1.00 0.00 O ATOM 834 NE2 GLN B 36 -0.518 -0.882 10.081 1.00 0.00 N ATOM 0 H GLN B 36 -1.613 -5.502 8.171 1.00 0.00 H new ATOM 0 HA GLN B 36 -3.306 -3.188 8.090 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -2.283 -4.488 10.076 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -0.804 -3.605 9.751 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -3.498 -2.285 10.297 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -2.299 -2.600 11.536 1.00 0.00 H new ATOM 0 HE21 GLN B 36 0.063 -1.718 10.149 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -0.088 0.024 9.892 1.00 0.00 H new ATOM 835 N ILE B 37 -0.432 -2.424 6.695 1.00 0.00 N ATOM 836 CA ILE B 37 -0.039 -1.460 5.627 1.00 0.00 C ATOM 837 C ILE B 37 -0.863 -1.559 4.304 1.00 0.00 C ATOM 838 O ILE B 37 -0.783 -0.595 3.595 1.00 0.00 O ATOM 839 CB ILE B 37 1.492 -1.410 5.300 1.00 0.00 C ATOM 840 CG1 ILE B 37 1.990 -0.082 4.645 1.00 0.00 C ATOM 841 CG2 ILE B 37 1.887 -2.576 4.385 1.00 0.00 C ATOM 842 CD1 ILE B 37 3.516 -0.003 4.467 1.00 0.00 C ATOM 0 H ILE B 37 0.262 -3.145 6.892 1.00 0.00 H new ATOM 0 HA ILE B 37 -0.299 -0.514 6.101 1.00 0.00 H new ATOM 0 HB ILE B 37 1.976 -1.480 6.274 1.00 0.00 H new ATOM 0 HG12 ILE B 37 1.515 0.030 3.670 1.00 0.00 H new ATOM 0 HG13 ILE B 37 1.663 0.758 5.258 1.00 0.00 H new ATOM 0 HG21 ILE B 37 2.954 -2.524 4.169 1.00 0.00 H new ATOM 0 HG22 ILE B 37 1.663 -3.520 4.881 1.00 0.00 H new ATOM 0 HG23 ILE B 37 1.325 -2.514 3.453 1.00 0.00 H new ATOM 0 HD11 ILE B 37 3.780 0.949 4.006 1.00 0.00 H new ATOM 0 HD12 ILE B 37 4.000 -0.082 5.440 1.00 0.00 H new ATOM 0 HD13 ILE B 37 3.851 -0.820 3.828 1.00 0.00 H new ATOM 843 N VAL B 38 -1.477 -2.655 3.867 1.00 0.00 N ATOM 844 CA VAL B 38 -2.254 -2.780 2.589 1.00 0.00 C ATOM 845 C VAL B 38 -3.757 -2.352 2.747 1.00 0.00 C ATOM 846 O VAL B 38 -4.297 -1.599 1.937 1.00 0.00 O ATOM 847 CB VAL B 38 -2.125 -4.250 2.096 1.00 0.00 C ATOM 848 CG1 VAL B 38 -3.187 -4.810 1.143 1.00 0.00 C ATOM 849 CG2 VAL B 38 -0.739 -4.487 1.460 1.00 0.00 C ATOM 0 H VAL B 38 -1.460 -3.526 4.397 1.00 0.00 H new ATOM 0 HA VAL B 38 -1.839 -2.095 1.850 1.00 0.00 H new ATOM 0 HB VAL B 38 -2.283 -4.801 3.023 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -2.947 -5.845 0.899 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -4.165 -4.768 1.623 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -3.205 -4.216 0.229 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -0.666 -5.520 1.121 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -0.609 -3.816 0.611 1.00 0.00 H new ATOM 0 HG23 VAL B 38 0.038 -4.292 2.199 1.00 0.00 H new ATOM 850 N GLN B 39 -4.435 -2.839 3.807 1.00 0.00 N ATOM 851 CA GLN B 39 -5.562 -2.128 4.461 1.00 0.00 C ATOM 852 C GLN B 39 -5.265 -0.626 4.721 1.00 0.00 C ATOM 853 O GLN B 39 -6.038 0.174 4.206 1.00 0.00 O ATOM 854 CB GLN B 39 -5.903 -2.849 5.800 1.00 0.00 C ATOM 855 CG GLN B 39 -6.633 -4.213 5.647 1.00 0.00 C ATOM 856 CD GLN B 39 -6.755 -5.115 6.880 1.00 0.00 C ATOM 857 OE1 GLN B 39 -6.703 -6.335 6.789 1.00 0.00 O ATOM 858 NE2 GLN B 39 -6.963 -4.587 8.060 1.00 0.00 N ATOM 0 H GLN B 39 -4.219 -3.738 4.237 1.00 0.00 H new ATOM 0 HA GLN B 39 -6.412 -2.158 3.780 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -4.978 -3.010 6.354 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -6.525 -2.187 6.403 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -7.640 -4.012 5.282 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -6.119 -4.780 4.870 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -7.011 -3.573 8.164 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -7.077 -5.189 8.875 1.00 0.00 H new ATOM 859 N ASP B 40 -4.110 -0.237 5.323 1.00 0.00 N ATOM 860 CA ASP B 40 -3.517 1.118 5.111 1.00 0.00 C ATOM 861 C ASP B 40 -3.513 1.597 3.641 1.00 0.00 C ATOM 862 O ASP B 40 -4.164 2.594 3.304 1.00 0.00 O ATOM 863 CB ASP B 40 -2.200 1.424 5.866 1.00 0.00 C ATOM 864 CG ASP B 40 -1.676 2.854 5.939 1.00 0.00 C ATOM 865 OD1 ASP B 40 -2.221 3.821 5.417 1.00 0.00 O ATOM 866 OD2 ASP B 40 -0.484 2.906 6.603 1.00 0.00 O ATOM 0 H ASP B 40 -3.573 -0.833 5.953 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.242 1.752 5.621 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -2.325 1.072 6.890 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -1.418 0.815 5.413 1.00 0.00 H new ATOM 867 N ALA B 41 -2.806 0.831 2.798 1.00 0.00 N ATOM 868 CA ALA B 41 -2.354 1.270 1.470 1.00 0.00 C ATOM 869 C ALA B 41 -3.310 1.206 0.251 1.00 0.00 C ATOM 870 O ALA B 41 -2.940 1.377 -0.913 1.00 0.00 O ATOM 871 CB ALA B 41 -0.982 0.636 1.166 1.00 0.00 C ATOM 0 H ALA B 41 -2.528 -0.124 3.023 1.00 0.00 H new ATOM 0 HA ALA B 41 -2.305 2.353 1.585 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -0.642 0.959 0.182 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -0.261 0.951 1.920 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -1.072 -0.450 1.181 1.00 0.00 H new ATOM 872 N LEU B 42 -4.574 1.130 0.583 1.00 0.00 N ATOM 873 CA LEU B 42 -5.670 1.788 -0.170 1.00 0.00 C ATOM 874 C LEU B 42 -6.891 2.266 0.665 1.00 0.00 C ATOM 875 O LEU B 42 -7.744 2.977 0.126 1.00 0.00 O ATOM 876 CB LEU B 42 -6.048 0.947 -1.424 1.00 0.00 C ATOM 877 CG LEU B 42 -6.045 -0.598 -1.288 1.00 0.00 C ATOM 878 CD1 LEU B 42 -7.100 -1.138 -0.312 1.00 0.00 C ATOM 879 CD2 LEU B 42 -6.162 -1.216 -2.672 1.00 0.00 C ATOM 0 H LEU B 42 -4.901 0.606 1.395 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.262 2.741 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -7.044 1.253 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -5.359 1.214 -2.226 1.00 0.00 H new ATOM 0 HG LEU B 42 -5.096 -0.893 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -7.035 -2.225 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -6.921 -0.726 0.681 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -8.094 -0.846 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -6.161 -2.303 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -7.091 -0.890 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -5.318 -0.899 -3.284 1.00 0.00 H new