USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=13 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 -127:sc= -2.91 (180deg=-10.2!) USER MOD Set 1.2: B 30 MET CE :methyl -118:sc= -3.15 (180deg=-8.24!) USER MOD Set 2.1: A 32 SER OG : rot 42:sc= 1.23 USER MOD Set 2.2: A 36 GLN : amide:sc= 0.937 K(o=2.2,f=-1.1) USER MOD Set 3.1: A 11 MET CE :methyl 136:sc= -2.83 (180deg=-7.32!) USER MOD Set 3.2: A 30 MET CE :methyl -161:sc= -4.78! (180deg=-7.82!) USER MOD Single : A 6 HIS : no HD1:sc= -0.018 X(o=-0.018,f=-0.00044) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl -158:sc= -0.157 (180deg=-1.23) USER MOD Single : A 18 LYS NZ :NH3+ -146:sc= 0.69 (180deg=0.212) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.562 K(o=0.56,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0353 K(o=-0.035,f=-0.67) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : B 8 ASN : amide:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : B 13 MET CE :methyl -146:sc= -0.469 (180deg=-2.24!) USER MOD Single : B 18 LYS NZ :NH3+ -120:sc= 0.531 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ -125:sc= -0.31 (180deg=-2.37!) USER MOD Single : B 26 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.37) USER MOD Single : B 29 SER OG : rot 28:sc= 0.478 USER MOD Single : B 31 ASN : amide:sc= -0.776 X(o=-0.78,f=-1.2) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 36 GLN : amide:sc= -0.677 X(o=-0.68,f=-0.62) USER MOD Single : B 39 GLN : amide:sc=-0.00441 K(o=-0.0044,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 4 14.405 -13.782 -4.477 1.00 0.00 N ATOM 26 CA ASP A 4 13.052 -13.287 -4.832 1.00 0.00 C ATOM 27 C ASP A 4 11.944 -14.219 -4.226 1.00 0.00 C ATOM 28 O ASP A 4 11.527 -15.158 -4.907 1.00 0.00 O ATOM 29 CB ASP A 4 12.964 -12.963 -6.345 1.00 0.00 C ATOM 30 CG ASP A 4 13.156 -14.025 -7.433 1.00 0.00 C ATOM 31 OD1 ASP A 4 13.569 -15.235 -6.969 1.00 0.00 O ATOM 32 OD2 ASP A 4 12.970 -13.788 -8.623 1.00 0.00 O ATOM 0 HA ASP A 4 12.852 -12.324 -4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.981 -12.522 -6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.700 -12.183 -6.539 1.00 0.00 H new ATOM 33 N PRO A 5 11.486 -14.073 -2.943 1.00 0.00 N ATOM 34 CA PRO A 5 10.852 -15.201 -2.205 1.00 0.00 C ATOM 35 C PRO A 5 9.295 -15.150 -2.154 1.00 0.00 C ATOM 36 O PRO A 5 8.684 -14.081 -2.044 1.00 0.00 O ATOM 37 CB PRO A 5 11.520 -15.088 -0.813 1.00 0.00 C ATOM 38 CG PRO A 5 12.536 -13.948 -0.914 1.00 0.00 C ATOM 39 CD PRO A 5 11.956 -13.053 -1.982 1.00 0.00 C ATOM 0 HA PRO A 5 11.010 -16.163 -2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.778 -14.880 -0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.010 -16.023 -0.540 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.645 -13.422 0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.524 -14.315 -1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.145 -12.428 -1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.700 -12.384 -2.415 1.00 0.00 H new ATOM 40 N HIS A 6 8.687 -16.344 -2.199 1.00 0.00 N ATOM 41 CA HIS A 6 7.213 -16.531 -2.158 1.00 0.00 C ATOM 42 C HIS A 6 6.661 -16.580 -0.682 1.00 0.00 C ATOM 43 O HIS A 6 7.103 -17.418 0.114 1.00 0.00 O ATOM 44 CB HIS A 6 6.869 -17.910 -2.810 1.00 0.00 C ATOM 45 CG HIS A 6 7.247 -18.163 -4.266 1.00 0.00 C ATOM 46 ND1 HIS A 6 8.496 -18.623 -4.649 1.00 0.00 N ATOM 47 CD2 HIS A 6 6.421 -17.974 -5.384 1.00 0.00 C ATOM 48 CE1 HIS A 6 8.320 -18.626 -6.009 1.00 0.00 C ATOM 49 NE2 HIS A 6 7.101 -18.301 -6.543 1.00 0.00 N ATOM 0 H HIS A 6 9.202 -17.222 -2.266 1.00 0.00 H new ATOM 0 HA HIS A 6 6.762 -15.689 -2.684 1.00 0.00 H new ATOM 0 HB2 HIS A 6 7.345 -18.684 -2.209 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.792 -18.055 -2.721 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.400 -17.623 -5.345 1.00 0.00 H new ATOM 0 HE1 HIS A 6 9.143 -18.885 -6.659 1.00 0.00 H new ATOM 0 HE2 HIS A 6 6.786 -18.300 -7.513 1.00 0.00 H new ATOM 50 N PHE A 7 5.623 -15.809 -0.317 1.00 0.00 N ATOM 51 CA PHE A 7 4.640 -16.251 0.716 1.00 0.00 C ATOM 52 C PHE A 7 3.171 -16.094 0.200 1.00 0.00 C ATOM 53 O PHE A 7 2.849 -15.216 -0.609 1.00 0.00 O ATOM 54 CB PHE A 7 4.922 -15.618 2.114 1.00 0.00 C ATOM 55 CG PHE A 7 4.516 -14.158 2.382 1.00 0.00 C ATOM 56 CD1 PHE A 7 3.175 -13.861 2.664 1.00 0.00 C ATOM 57 CD2 PHE A 7 5.456 -13.119 2.426 1.00 0.00 C ATOM 58 CE1 PHE A 7 2.792 -12.573 2.979 1.00 0.00 C ATOM 59 CE2 PHE A 7 5.063 -11.839 2.778 1.00 0.00 C ATOM 60 CZ PHE A 7 3.743 -11.591 3.133 1.00 0.00 C ATOM 0 H PHE A 7 5.434 -14.887 -0.709 1.00 0.00 H new ATOM 0 HA PHE A 7 4.773 -17.320 0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 7 4.423 -16.237 2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 7 5.993 -15.698 2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 7 2.435 -14.647 2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.490 -13.318 2.185 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.746 -12.336 3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.782 -11.034 2.777 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.463 -10.626 3.530 1.00 0.00 H new ATOM 61 N ASN A 8 2.237 -16.910 0.714 1.00 0.00 N ATOM 62 CA ASN A 8 0.786 -16.738 0.417 1.00 0.00 C ATOM 63 C ASN A 8 0.175 -15.476 1.112 1.00 0.00 C ATOM 64 O ASN A 8 -0.384 -15.568 2.210 1.00 0.00 O ATOM 65 CB ASN A 8 0.028 -18.050 0.757 1.00 0.00 C ATOM 66 CG ASN A 8 0.280 -19.211 -0.204 1.00 0.00 C ATOM 67 OD1 ASN A 8 1.223 -19.977 -0.060 1.00 0.00 O ATOM 68 ND2 ASN A 8 -0.520 -19.359 -1.229 1.00 0.00 N ATOM 0 H ASN A 8 2.447 -17.693 1.334 1.00 0.00 H new ATOM 0 HA ASN A 8 0.669 -16.548 -0.650 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.309 -18.363 1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.041 -17.839 0.775 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.355 -20.109 -1.901 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.309 -18.725 -1.356 1.00 0.00 H new ATOM 69 N PHE A 9 0.252 -14.289 0.469 1.00 0.00 N ATOM 70 CA PHE A 9 -0.581 -13.143 0.838 1.00 0.00 C ATOM 71 C PHE A 9 -2.044 -13.363 0.357 1.00 0.00 C ATOM 72 O PHE A 9 -2.377 -13.894 -0.701 1.00 0.00 O ATOM 73 CB PHE A 9 0.143 -11.863 0.350 1.00 0.00 C ATOM 74 CG PHE A 9 -0.244 -10.573 1.079 1.00 0.00 C ATOM 75 CD1 PHE A 9 -0.369 -10.526 2.478 1.00 0.00 C ATOM 76 CD2 PHE A 9 -0.259 -9.363 0.376 1.00 0.00 C ATOM 77 CE1 PHE A 9 -0.546 -9.329 3.128 1.00 0.00 C ATOM 78 CE2 PHE A 9 -0.565 -8.175 1.019 1.00 0.00 C ATOM 79 CZ PHE A 9 -0.634 -8.161 2.394 1.00 0.00 C ATOM 0 H PHE A 9 0.887 -14.109 -0.309 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.699 -13.022 1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.218 -12.011 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.059 -11.734 -0.713 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.325 -11.442 3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.029 -9.355 -0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.616 -9.301 4.205 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.746 -7.274 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.759 -7.220 2.909 1.00 0.00 H new ATOM 80 N ARG A 10 -2.918 -12.990 1.258 1.00 0.00 N ATOM 81 CA ARG A 10 -4.283 -13.571 1.366 1.00 0.00 C ATOM 82 C ARG A 10 -5.142 -12.615 2.232 1.00 0.00 C ATOM 83 O ARG A 10 -4.781 -12.270 3.365 1.00 0.00 O ATOM 84 CB ARG A 10 -4.306 -15.052 1.808 1.00 0.00 C ATOM 85 CG ARG A 10 -4.116 -15.374 3.287 1.00 0.00 C ATOM 86 CD ARG A 10 -5.445 -15.436 4.060 1.00 0.00 C ATOM 87 NE ARG A 10 -5.195 -15.745 5.492 1.00 0.00 N ATOM 88 CZ ARG A 10 -4.903 -14.850 6.432 1.00 0.00 C ATOM 89 NH1 ARG A 10 -4.823 -13.567 6.229 1.00 0.00 N ATOM 90 NH2 ARG A 10 -4.677 -15.291 7.617 1.00 0.00 N ATOM 0 H ARG A 10 -2.725 -12.270 1.955 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.731 -13.634 0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.261 -15.476 1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.528 -15.576 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.601 -16.330 3.383 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.473 -14.619 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.969 -14.484 3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.092 -16.197 3.624 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.252 -16.723 5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.990 -13.187 5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.594 -12.942 7.002 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.725 -16.292 7.806 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.449 -14.640 8.369 1.00 0.00 H new ATOM 91 N MET A 11 -6.226 -12.102 1.668 1.00 0.00 N ATOM 92 CA MET A 11 -6.613 -10.698 1.956 1.00 0.00 C ATOM 93 C MET A 11 -8.114 -10.542 2.341 1.00 0.00 C ATOM 94 O MET A 11 -8.946 -10.811 1.466 1.00 0.00 O ATOM 95 CB MET A 11 -6.303 -9.868 0.692 1.00 0.00 C ATOM 96 CG MET A 11 -4.849 -9.636 0.269 1.00 0.00 C ATOM 97 SD MET A 11 -4.318 -10.995 -0.784 1.00 0.00 S ATOM 98 CE MET A 11 -2.865 -10.178 -1.418 1.00 0.00 C ATOM 0 H MET A 11 -6.844 -12.602 1.029 1.00 0.00 H new ATOM 0 HA MET A 11 -6.046 -10.351 2.820 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.812 -10.347 -0.144 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.763 -8.889 0.826 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.759 -8.690 -0.264 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.208 -9.569 1.148 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.026 -10.874 -1.417 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.054 -9.839 -2.437 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.626 -9.321 -0.789 1.00 0.00 H new ATOM 99 N PRO A 12 -8.526 -10.045 3.552 1.00 0.00 N ATOM 100 CA PRO A 12 -9.923 -9.590 3.813 1.00 0.00 C ATOM 101 C PRO A 12 -10.577 -8.746 2.679 1.00 0.00 C ATOM 102 O PRO A 12 -9.881 -8.014 1.955 1.00 0.00 O ATOM 103 CB PRO A 12 -9.782 -8.821 5.141 1.00 0.00 C ATOM 104 CG PRO A 12 -8.576 -9.454 5.834 1.00 0.00 C ATOM 105 CD PRO A 12 -7.626 -9.803 4.691 1.00 0.00 C ATOM 0 HA PRO A 12 -10.616 -10.430 3.860 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.624 -7.757 4.967 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.682 -8.914 5.749 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.114 -8.763 6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.862 -10.341 6.399 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.930 -8.989 4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.027 -10.684 4.923 1.00 0.00 H new ATOM 106 N MET A 13 -11.886 -8.950 2.451 1.00 0.00 N ATOM 107 CA MET A 13 -12.460 -8.710 1.094 1.00 0.00 C ATOM 108 C MET A 13 -12.278 -7.281 0.482 1.00 0.00 C ATOM 109 O MET A 13 -11.979 -7.168 -0.706 1.00 0.00 O ATOM 110 CB MET A 13 -13.932 -9.194 1.065 1.00 0.00 C ATOM 111 CG MET A 13 -14.530 -9.443 -0.339 1.00 0.00 C ATOM 112 SD MET A 13 -14.333 -11.160 -0.878 1.00 0.00 S ATOM 113 CE MET A 13 -12.623 -11.209 -1.447 1.00 0.00 C ATOM 0 H MET A 13 -12.554 -9.269 3.153 1.00 0.00 H new ATOM 0 HA MET A 13 -11.850 -9.307 0.416 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.002 -10.118 1.638 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.548 -8.454 1.576 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.589 -9.187 -0.330 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.048 -8.781 -1.059 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.493 -12.042 -2.138 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.382 -10.275 -1.955 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.959 -11.340 -0.593 1.00 0.00 H new ATOM 114 N GLU A 14 -12.339 -6.214 1.297 1.00 0.00 N ATOM 115 CA GLU A 14 -11.864 -4.871 0.881 1.00 0.00 C ATOM 116 C GLU A 14 -10.345 -4.732 0.533 1.00 0.00 C ATOM 117 O GLU A 14 -10.071 -4.097 -0.471 1.00 0.00 O ATOM 118 CB GLU A 14 -12.394 -3.786 1.858 1.00 0.00 C ATOM 119 CG GLU A 14 -11.678 -3.686 3.231 1.00 0.00 C ATOM 120 CD GLU A 14 -12.325 -2.712 4.209 1.00 0.00 C ATOM 121 OE1 GLU A 14 -11.960 -1.419 3.972 1.00 0.00 O ATOM 122 OE2 GLU A 14 -13.081 -3.067 5.107 1.00 0.00 O ATOM 0 H GLU A 14 -12.711 -6.249 2.246 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.307 -4.703 -0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.323 -2.817 1.364 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.452 -3.975 2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.652 -4.676 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.644 -3.384 3.067 1.00 0.00 H new ATOM 123 N VAL A 15 -9.350 -5.276 1.262 1.00 0.00 N ATOM 124 CA VAL A 15 -7.906 -5.225 0.837 1.00 0.00 C ATOM 125 C VAL A 15 -7.654 -5.883 -0.534 1.00 0.00 C ATOM 126 O VAL A 15 -7.029 -5.251 -1.375 1.00 0.00 O ATOM 127 CB VAL A 15 -6.915 -5.878 1.865 1.00 0.00 C ATOM 128 CG1 VAL A 15 -5.581 -5.122 1.864 1.00 0.00 C ATOM 129 CG2 VAL A 15 -7.369 -6.025 3.333 1.00 0.00 C ATOM 0 H VAL A 15 -9.503 -5.758 2.148 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.706 -4.155 0.779 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.846 -6.900 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.901 -5.583 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.141 -5.162 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.752 -4.082 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.574 -6.493 3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.590 -5.041 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.264 -6.646 3.377 1.00 0.00 H new ATOM 130 N ARG A 16 -8.117 -7.118 -0.771 1.00 0.00 N ATOM 131 CA ARG A 16 -8.061 -7.696 -2.120 1.00 0.00 C ATOM 132 C ARG A 16 -8.959 -7.035 -3.164 1.00 0.00 C ATOM 133 O ARG A 16 -8.447 -6.810 -4.242 1.00 0.00 O ATOM 134 CB ARG A 16 -8.240 -9.222 -2.173 1.00 0.00 C ATOM 135 CG ARG A 16 -7.046 -9.828 -2.947 1.00 0.00 C ATOM 136 CD ARG A 16 -7.373 -11.207 -3.446 1.00 0.00 C ATOM 137 NE ARG A 16 -6.314 -11.742 -4.335 1.00 0.00 N ATOM 138 CZ ARG A 16 -6.422 -12.891 -5.002 1.00 0.00 C ATOM 139 NH1 ARG A 16 -7.364 -13.766 -4.810 1.00 0.00 N ATOM 140 NH2 ARG A 16 -5.553 -13.148 -5.910 1.00 0.00 N ATOM 0 H ARG A 16 -8.527 -7.726 -0.062 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.032 -7.466 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.286 -9.633 -1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.179 -9.477 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.789 -9.184 -3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.171 -9.870 -2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.506 -11.877 -2.597 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.320 -11.182 -3.985 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.456 -11.201 -4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.085 -13.594 -4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.382 -14.625 -5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.806 -12.481 -6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.609 -14.019 -6.438 1.00 0.00 H new ATOM 141 N GLU A 17 -10.212 -6.647 -2.929 1.00 0.00 N ATOM 142 CA GLU A 17 -10.885 -5.742 -3.896 1.00 0.00 C ATOM 143 C GLU A 17 -10.149 -4.369 -4.111 1.00 0.00 C ATOM 144 O GLU A 17 -10.081 -3.915 -5.238 1.00 0.00 O ATOM 145 CB GLU A 17 -12.357 -5.509 -3.522 1.00 0.00 C ATOM 146 CG GLU A 17 -13.302 -6.728 -3.664 1.00 0.00 C ATOM 147 CD GLU A 17 -14.728 -6.439 -3.204 1.00 0.00 C ATOM 148 OE1 GLU A 17 -15.064 -6.340 -2.029 1.00 0.00 O ATOM 149 OE2 GLU A 17 -15.592 -6.300 -4.244 1.00 0.00 O ATOM 0 H GLU A 17 -10.771 -6.922 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.838 -6.266 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.397 -5.164 -2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.744 -4.702 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.321 -7.046 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.901 -7.560 -3.084 1.00 0.00 H new ATOM 150 N LYS A 18 -9.526 -3.740 -3.107 1.00 0.00 N ATOM 151 CA LYS A 18 -8.674 -2.537 -3.290 1.00 0.00 C ATOM 152 C LYS A 18 -7.316 -2.790 -4.023 1.00 0.00 C ATOM 153 O LYS A 18 -7.080 -2.176 -5.065 1.00 0.00 O ATOM 154 CB LYS A 18 -8.624 -1.751 -1.961 1.00 0.00 C ATOM 155 CG LYS A 18 -9.958 -1.160 -1.416 1.00 0.00 C ATOM 156 CD LYS A 18 -9.915 -0.459 -0.033 1.00 0.00 C ATOM 157 CE LYS A 18 -9.293 -1.245 1.133 1.00 0.00 C ATOM 158 NZ LYS A 18 -9.587 -0.579 2.417 1.00 0.00 N ATOM 0 H LYS A 18 -9.593 -4.045 -2.136 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.140 -1.878 -4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.213 -2.411 -1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.919 -0.929 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.332 -0.442 -2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.687 -1.968 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.363 0.474 -0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.936 -0.195 0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.686 -2.262 1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.215 -1.321 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.785 -0.708 3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.741 0.437 2.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.442 -0.996 2.836 1.00 0.00 H new ATOM 159 N LEU A 19 -6.467 -3.720 -3.559 1.00 0.00 N ATOM 160 CA LEU A 19 -5.297 -4.219 -4.313 1.00 0.00 C ATOM 161 C LEU A 19 -5.569 -4.862 -5.719 1.00 0.00 C ATOM 162 O LEU A 19 -4.836 -4.605 -6.677 1.00 0.00 O ATOM 163 CB LEU A 19 -4.563 -5.168 -3.342 1.00 0.00 C ATOM 164 CG LEU A 19 -3.534 -4.658 -2.310 1.00 0.00 C ATOM 165 CD1 LEU A 19 -2.853 -5.925 -1.745 1.00 0.00 C ATOM 166 CD2 LEU A 19 -2.475 -3.705 -2.908 1.00 0.00 C ATOM 0 H LEU A 19 -6.571 -4.153 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.690 -3.366 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.333 -5.698 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.050 -5.908 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.042 -4.068 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.108 -5.637 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.603 -6.563 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.368 -6.469 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.787 -3.388 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.920 -4.223 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.970 -2.831 -3.332 1.00 0.00 H new ATOM 167 N LYS A 20 -6.575 -5.738 -5.830 1.00 0.00 N ATOM 168 CA LYS A 20 -6.910 -6.483 -7.049 1.00 0.00 C ATOM 169 C LYS A 20 -7.853 -5.695 -8.024 1.00 0.00 C ATOM 170 O LYS A 20 -7.828 -6.001 -9.208 1.00 0.00 O ATOM 171 CB LYS A 20 -7.553 -7.838 -6.692 1.00 0.00 C ATOM 172 CG LYS A 20 -7.502 -8.921 -7.785 1.00 0.00 C ATOM 173 CD LYS A 20 -8.145 -10.270 -7.399 1.00 0.00 C ATOM 174 CE LYS A 20 -9.410 -10.197 -6.528 1.00 0.00 C ATOM 175 NZ LYS A 20 -9.979 -11.546 -6.354 1.00 0.00 N ATOM 0 H LYS A 20 -7.197 -5.954 -5.051 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.968 -6.639 -7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.061 -8.227 -5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.597 -7.664 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.001 -8.540 -8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.460 -9.096 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.391 -10.806 -8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.400 -10.866 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.168 -9.767 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.145 -9.540 -6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.834 -11.489 -5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.226 -11.941 -7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.279 -12.161 -5.891 1.00 0.00 H new ATOM 176 N PHE A 21 -8.680 -4.711 -7.592 1.00 0.00 N ATOM 177 CA PHE A 21 -9.233 -3.663 -8.499 1.00 0.00 C ATOM 178 C PHE A 21 -8.128 -2.745 -8.998 1.00 0.00 C ATOM 179 O PHE A 21 -7.861 -2.871 -10.177 1.00 0.00 O ATOM 180 CB PHE A 21 -10.380 -2.808 -7.905 1.00 0.00 C ATOM 181 CG PHE A 21 -11.730 -3.471 -7.685 1.00 0.00 C ATOM 182 CD1 PHE A 21 -12.058 -4.749 -8.146 1.00 0.00 C ATOM 183 CD2 PHE A 21 -12.642 -2.762 -6.908 1.00 0.00 C ATOM 184 CE1 PHE A 21 -13.252 -5.337 -7.773 1.00 0.00 C ATOM 185 CE2 PHE A 21 -13.841 -3.346 -6.538 1.00 0.00 C ATOM 186 CZ PHE A 21 -14.154 -4.640 -6.964 1.00 0.00 C ATOM 0 H PHE A 21 -8.981 -4.618 -6.622 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.675 -4.225 -9.321 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.041 -2.416 -6.946 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.532 -1.952 -8.563 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -11.377 -5.279 -8.795 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.413 -1.754 -6.593 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.488 -6.336 -8.107 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.537 -2.800 -5.918 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.087 -5.098 -6.670 1.00 0.00 H new ATOM 187 N ARG A 22 -7.393 -1.933 -8.231 1.00 0.00 N ATOM 188 CA ARG A 22 -6.057 -1.420 -8.685 1.00 0.00 C ATOM 189 C ARG A 22 -5.280 -2.327 -9.770 1.00 0.00 C ATOM 190 O ARG A 22 -5.010 -1.894 -10.893 1.00 0.00 O ATOM 191 CB ARG A 22 -5.375 -1.068 -7.333 1.00 0.00 C ATOM 192 CG ARG A 22 -4.028 -0.322 -7.402 1.00 0.00 C ATOM 193 CD ARG A 22 -3.965 1.196 -7.250 1.00 0.00 C ATOM 194 NE ARG A 22 -4.381 1.623 -5.892 1.00 0.00 N ATOM 195 CZ ARG A 22 -4.705 2.870 -5.564 1.00 0.00 C ATOM 196 NH1 ARG A 22 -4.662 3.883 -6.376 1.00 0.00 N ATOM 197 NH2 ARG A 22 -5.091 3.090 -4.363 1.00 0.00 N ATOM 0 H ARG A 22 -7.677 -1.610 -7.306 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.096 -0.543 -9.332 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.069 -0.461 -6.751 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.221 -1.995 -6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.387 -0.748 -6.630 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.576 -0.566 -8.363 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.950 1.541 -7.446 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.610 1.664 -7.994 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.421 0.913 -5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.363 3.750 -7.342 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.927 4.812 -6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.142 2.321 -3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.348 4.034 -4.075 1.00 0.00 H new ATOM 198 N ALA A 23 -5.216 -3.663 -9.582 1.00 0.00 N ATOM 199 CA ALA A 23 -4.854 -4.630 -10.655 1.00 0.00 C ATOM 200 C ALA A 23 -5.859 -4.727 -11.883 1.00 0.00 C ATOM 201 O ALA A 23 -5.534 -4.273 -12.981 1.00 0.00 O ATOM 202 CB ALA A 23 -4.466 -5.926 -9.909 1.00 0.00 C ATOM 0 H ALA A 23 -5.413 -4.107 -8.685 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.002 -4.288 -11.243 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.185 -6.692 -10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.624 -5.726 -9.246 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.315 -6.276 -9.322 1.00 0.00 H new ATOM 203 N GLU A 24 -7.074 -5.261 -11.689 1.00 0.00 N ATOM 204 CA GLU A 24 -8.135 -5.439 -12.735 1.00 0.00 C ATOM 205 C GLU A 24 -8.943 -4.173 -13.207 1.00 0.00 C ATOM 206 O GLU A 24 -9.186 -4.010 -14.403 1.00 0.00 O ATOM 207 CB GLU A 24 -9.126 -6.540 -12.249 1.00 0.00 C ATOM 208 CG GLU A 24 -8.526 -7.944 -11.975 1.00 0.00 C ATOM 209 CD GLU A 24 -9.559 -9.014 -11.637 1.00 0.00 C ATOM 210 OE1 GLU A 24 -10.159 -9.519 -12.748 1.00 0.00 O ATOM 211 OE2 GLU A 24 -9.819 -9.386 -10.499 1.00 0.00 O ATOM 0 H GLU A 24 -7.372 -5.598 -10.773 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.577 -5.713 -13.630 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.603 -6.189 -11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.911 -6.646 -12.997 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.964 -8.263 -12.852 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.816 -7.868 -11.151 1.00 0.00 H new ATOM 229 N ARG A 28 -2.757 -4.043 -14.081 1.00 0.00 N ATOM 230 CA ARG A 28 -1.710 -4.941 -13.524 1.00 0.00 C ATOM 231 C ARG A 28 -2.376 -6.315 -13.147 1.00 0.00 C ATOM 232 O ARG A 28 -3.599 -6.488 -13.160 1.00 0.00 O ATOM 233 CB ARG A 28 -1.066 -4.207 -12.330 1.00 0.00 C ATOM 234 CG ARG A 28 -0.022 -3.091 -12.557 1.00 0.00 C ATOM 235 CD ARG A 28 -0.518 -1.681 -12.154 1.00 0.00 C ATOM 236 NE ARG A 28 0.550 -0.657 -12.028 1.00 0.00 N ATOM 237 CZ ARG A 28 1.442 -0.318 -12.966 1.00 0.00 C ATOM 238 NH1 ARG A 28 1.485 -0.819 -14.158 1.00 0.00 N ATOM 239 NH2 ARG A 28 2.337 0.552 -12.668 1.00 0.00 N ATOM 0 HA ARG A 28 -0.918 -5.171 -14.237 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.877 -3.773 -11.746 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.594 -4.965 -11.705 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.877 -3.326 -11.988 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.261 -3.079 -13.610 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.242 -1.341 -12.894 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.045 -1.755 -11.203 1.00 0.00 H new ATOM 0 HE ARG A 28 0.610 -0.163 -11.138 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.806 -1.526 -14.439 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.198 -0.507 -14.817 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.356 0.966 -11.736 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.030 0.830 -13.363 1.00 0.00 H new ATOM 240 N SER A 29 -1.574 -7.319 -12.772 1.00 0.00 N ATOM 241 CA SER A 29 -2.119 -8.615 -12.251 1.00 0.00 C ATOM 242 C SER A 29 -1.442 -8.839 -10.883 1.00 0.00 C ATOM 243 O SER A 29 -0.221 -8.849 -10.859 1.00 0.00 O ATOM 244 CB SER A 29 -1.833 -9.731 -13.279 1.00 0.00 C ATOM 245 OG SER A 29 -2.384 -10.971 -12.832 1.00 0.00 O ATOM 0 H SER A 29 -0.556 -7.278 -12.812 1.00 0.00 H new ATOM 0 HA SER A 29 -3.200 -8.611 -12.112 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.260 -9.463 -14.245 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.758 -9.834 -13.424 1.00 0.00 H new ATOM 0 HG SER A 29 -2.197 -11.669 -13.494 1.00 0.00 H new ATOM 246 N MET A 30 -2.141 -8.883 -9.738 1.00 0.00 N ATOM 247 CA MET A 30 -1.578 -8.366 -8.446 1.00 0.00 C ATOM 248 C MET A 30 -0.130 -8.720 -7.982 1.00 0.00 C ATOM 249 O MET A 30 0.479 -7.912 -7.290 1.00 0.00 O ATOM 250 CB MET A 30 -2.430 -8.789 -7.253 1.00 0.00 C ATOM 251 CG MET A 30 -3.724 -8.078 -7.041 1.00 0.00 C ATOM 252 SD MET A 30 -4.692 -9.154 -5.973 1.00 0.00 S ATOM 253 CE MET A 30 -4.483 -8.189 -4.494 1.00 0.00 C ATOM 0 H MET A 30 -3.085 -9.262 -9.663 1.00 0.00 H new ATOM 0 HA MET A 30 -1.571 -7.310 -8.718 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.644 -9.853 -7.354 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.829 -8.669 -6.352 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.566 -7.104 -6.578 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.235 -7.901 -7.988 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.702 -8.806 -3.623 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.455 -7.831 -4.435 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.163 -7.338 -4.516 1.00 0.00 H new ATOM 254 N ASN A 31 0.469 -9.872 -8.293 1.00 0.00 N ATOM 255 CA ASN A 31 1.950 -9.984 -8.210 1.00 0.00 C ATOM 256 C ASN A 31 2.731 -8.838 -8.976 1.00 0.00 C ATOM 257 O ASN A 31 3.469 -8.104 -8.326 1.00 0.00 O ATOM 258 CB ASN A 31 2.403 -11.435 -8.513 1.00 0.00 C ATOM 259 CG ASN A 31 3.844 -11.808 -8.150 1.00 0.00 C ATOM 260 OD1 ASN A 31 4.510 -12.544 -8.862 1.00 0.00 O ATOM 261 ND2 ASN A 31 4.372 -11.355 -7.042 1.00 0.00 N ATOM 0 H ASN A 31 -0.015 -10.718 -8.595 1.00 0.00 H new ATOM 0 HA ASN A 31 2.245 -9.791 -7.179 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.735 -12.115 -7.985 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.265 -11.616 -9.579 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.324 -11.618 -6.786 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.832 -10.739 -6.434 1.00 0.00 H new ATOM 262 N SER A 32 2.398 -8.551 -10.251 1.00 0.00 N ATOM 263 CA SER A 32 2.448 -7.165 -10.819 1.00 0.00 C ATOM 264 C SER A 32 1.840 -6.016 -9.958 1.00 0.00 C ATOM 265 O SER A 32 2.623 -5.226 -9.436 1.00 0.00 O ATOM 266 CB SER A 32 2.053 -7.175 -12.318 1.00 0.00 C ATOM 267 OG SER A 32 1.923 -5.857 -12.861 1.00 0.00 O ATOM 0 H SER A 32 2.088 -9.257 -10.919 1.00 0.00 H new ATOM 0 HA SER A 32 3.494 -6.865 -10.764 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.805 -7.725 -12.884 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.110 -7.708 -12.438 1.00 0.00 H new ATOM 0 HG SER A 32 2.652 -5.293 -12.528 1.00 0.00 H new ATOM 268 N GLU A 33 0.521 -5.870 -9.762 1.00 0.00 N ATOM 269 CA GLU A 33 -0.018 -4.610 -9.144 1.00 0.00 C ATOM 270 C GLU A 33 0.391 -4.392 -7.676 1.00 0.00 C ATOM 271 O GLU A 33 0.960 -3.357 -7.343 1.00 0.00 O ATOM 272 CB GLU A 33 -1.555 -4.584 -9.086 1.00 0.00 C ATOM 273 CG GLU A 33 -2.220 -3.197 -8.886 1.00 0.00 C ATOM 274 CD GLU A 33 -1.556 -2.136 -8.035 1.00 0.00 C ATOM 275 OE1 GLU A 33 -1.685 -2.397 -6.706 1.00 0.00 O ATOM 276 OE2 GLU A 33 -0.964 -1.171 -8.489 1.00 0.00 O ATOM 0 H GLU A 33 -0.182 -6.568 -10.005 1.00 0.00 H new ATOM 0 HA GLU A 33 0.404 -3.846 -9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.938 -5.015 -10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.876 -5.236 -8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.368 -2.767 -9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.209 -3.374 -8.464 1.00 0.00 H new ATOM 277 N LEU A 34 0.012 -5.333 -6.787 1.00 0.00 N ATOM 278 CA LEU A 34 0.405 -5.330 -5.385 1.00 0.00 C ATOM 279 C LEU A 34 1.969 -5.149 -5.364 1.00 0.00 C ATOM 280 O LEU A 34 2.350 -4.296 -4.591 1.00 0.00 O ATOM 281 CB LEU A 34 -0.522 -6.349 -4.629 1.00 0.00 C ATOM 282 CG LEU A 34 0.080 -7.358 -3.680 1.00 0.00 C ATOM 283 CD1 LEU A 34 0.877 -6.686 -2.549 1.00 0.00 C ATOM 284 CD2 LEU A 34 -0.748 -8.382 -2.957 1.00 0.00 C ATOM 0 H LEU A 34 -0.584 -6.122 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 34 0.204 -4.524 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.250 -5.767 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.076 -6.905 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 34 0.638 -7.905 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.291 -7.451 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.688 -6.096 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.217 -6.034 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.101 -8.997 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.485 -7.878 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.260 -9.014 -3.683 1.00 0.00 H new ATOM 285 N LEU A 35 2.878 -5.637 -6.277 1.00 0.00 N ATOM 286 CA LEU A 35 4.272 -5.099 -6.322 1.00 0.00 C ATOM 287 C LEU A 35 4.436 -3.633 -6.759 1.00 0.00 C ATOM 288 O LEU A 35 5.143 -2.889 -6.097 1.00 0.00 O ATOM 289 CB LEU A 35 5.273 -5.951 -7.129 1.00 0.00 C ATOM 290 CG LEU A 35 5.859 -7.174 -6.407 1.00 0.00 C ATOM 291 CD1 LEU A 35 6.875 -7.811 -7.343 1.00 0.00 C ATOM 292 CD2 LEU A 35 6.562 -6.750 -5.095 1.00 0.00 C ATOM 0 H LEU A 35 2.677 -6.368 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 35 4.514 -5.154 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.777 -6.294 -8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.097 -5.309 -7.439 1.00 0.00 H new ATOM 0 HG LEU A 35 5.063 -7.874 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.314 -8.686 -6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.380 -8.114 -8.266 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.660 -7.091 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.970 -7.631 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.370 -6.055 -5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.842 -6.264 -4.437 1.00 0.00 H new ATOM 293 N GLN A 36 3.843 -3.214 -7.865 1.00 0.00 N ATOM 294 CA GLN A 36 3.928 -1.800 -8.332 1.00 0.00 C ATOM 295 C GLN A 36 3.398 -0.743 -7.324 1.00 0.00 C ATOM 296 O GLN A 36 4.073 0.265 -7.102 1.00 0.00 O ATOM 297 CB GLN A 36 3.260 -1.663 -9.728 1.00 0.00 C ATOM 298 CG GLN A 36 4.147 -2.036 -10.941 1.00 0.00 C ATOM 299 CD GLN A 36 4.444 -3.515 -11.175 1.00 0.00 C ATOM 300 OE1 GLN A 36 3.913 -4.182 -12.059 1.00 0.00 O ATOM 301 NE2 GLN A 36 5.293 -4.081 -10.365 1.00 0.00 N ATOM 0 H GLN A 36 3.291 -3.819 -8.472 1.00 0.00 H new ATOM 0 HA GLN A 36 4.990 -1.570 -8.413 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.370 -2.291 -9.747 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.926 -0.633 -9.850 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.669 -1.644 -11.839 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.099 -1.516 -10.833 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.738 -3.533 -9.628 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.513 -5.072 -10.467 1.00 0.00 H new ATOM 302 N ILE A 37 2.274 -1.015 -6.650 1.00 0.00 N ATOM 303 CA ILE A 37 1.911 -0.296 -5.414 1.00 0.00 C ATOM 304 C ILE A 37 2.751 -0.619 -4.131 1.00 0.00 C ATOM 305 O ILE A 37 2.745 0.261 -3.304 1.00 0.00 O ATOM 306 CB ILE A 37 0.368 -0.377 -5.173 1.00 0.00 C ATOM 307 CG1 ILE A 37 -0.192 0.901 -4.519 1.00 0.00 C ATOM 308 CG2 ILE A 37 0.023 -1.593 -4.302 1.00 0.00 C ATOM 309 CD1 ILE A 37 -1.676 0.866 -4.132 1.00 0.00 C ATOM 0 H ILE A 37 1.599 -1.725 -6.935 1.00 0.00 H new ATOM 0 HA ILE A 37 2.195 0.739 -5.602 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.098 -0.481 -6.153 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.391 1.112 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.036 1.734 -5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.055 -1.634 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.351 -2.504 -4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.527 -1.506 -3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.957 1.818 -3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.280 0.693 -5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.847 0.062 -3.416 1.00 0.00 H new ATOM 310 N VAL A 38 3.317 -1.814 -3.864 1.00 0.00 N ATOM 311 CA VAL A 38 4.128 -2.158 -2.644 1.00 0.00 C ATOM 312 C VAL A 38 5.598 -1.597 -2.730 1.00 0.00 C ATOM 313 O VAL A 38 6.120 -1.028 -1.771 1.00 0.00 O ATOM 314 CB VAL A 38 4.152 -3.701 -2.398 1.00 0.00 C ATOM 315 CG1 VAL A 38 5.277 -4.397 -1.602 1.00 0.00 C ATOM 316 CG2 VAL A 38 2.830 -4.193 -1.765 1.00 0.00 C ATOM 0 H VAL A 38 3.228 -2.603 -4.504 1.00 0.00 H new ATOM 0 HA VAL A 38 3.639 -1.676 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 38 4.343 -3.995 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.084 -5.469 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.234 -4.220 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.309 -3.994 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.881 -5.270 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.676 -3.693 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.999 -3.963 -2.432 1.00 0.00 H new ATOM 317 N GLN A 39 6.262 -1.778 -3.893 1.00 0.00 N ATOM 318 CA GLN A 39 7.381 -0.919 -4.363 1.00 0.00 C ATOM 319 C GLN A 39 7.025 0.605 -4.371 1.00 0.00 C ATOM 320 O GLN A 39 7.805 1.383 -3.825 1.00 0.00 O ATOM 321 CB GLN A 39 7.815 -1.413 -5.777 1.00 0.00 C ATOM 322 CG GLN A 39 8.363 -2.864 -5.891 1.00 0.00 C ATOM 323 CD GLN A 39 8.622 -3.486 -7.270 1.00 0.00 C ATOM 324 OE1 GLN A 39 8.820 -4.689 -7.388 1.00 0.00 O ATOM 325 NE2 GLN A 39 8.652 -2.751 -8.353 1.00 0.00 N ATOM 0 H GLN A 39 6.036 -2.532 -4.542 1.00 0.00 H new ATOM 0 HA GLN A 39 8.209 -1.013 -3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.957 -1.324 -6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.581 -0.733 -6.151 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.302 -2.899 -5.339 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.662 -3.516 -5.369 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.491 -1.746 -8.292 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.836 -3.184 -9.258 1.00 0.00 H new ATOM 326 N ASP A 40 5.822 1.029 -4.837 1.00 0.00 N ATOM 327 CA ASP A 40 5.237 2.329 -4.370 1.00 0.00 C ATOM 328 C ASP A 40 4.997 2.544 -2.842 1.00 0.00 C ATOM 329 O ASP A 40 5.116 3.664 -2.347 1.00 0.00 O ATOM 330 CB ASP A 40 4.132 2.956 -5.243 1.00 0.00 C ATOM 331 CG ASP A 40 4.610 3.656 -6.497 1.00 0.00 C ATOM 332 OD1 ASP A 40 4.803 2.791 -7.531 1.00 0.00 O ATOM 333 OD2 ASP A 40 4.800 4.866 -6.544 1.00 0.00 O ATOM 0 H ASP A 40 5.251 0.518 -5.510 1.00 0.00 H new ATOM 0 HA ASP A 40 6.129 2.927 -4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.432 2.172 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.577 3.672 -4.637 1.00 0.00 H new ATOM 334 N ALA A 41 4.673 1.514 -2.067 1.00 0.00 N ATOM 335 CA ALA A 41 4.173 1.692 -0.692 1.00 0.00 C ATOM 336 C ALA A 41 5.299 2.038 0.317 1.00 0.00 C ATOM 337 O ALA A 41 5.245 3.081 0.964 1.00 0.00 O ATOM 338 CB ALA A 41 3.272 0.488 -0.354 1.00 0.00 C ATOM 0 H ALA A 41 4.745 0.540 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 41 3.545 2.579 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.888 0.595 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.439 0.449 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.852 -0.432 -0.428 1.00 0.00 H new ATOM 566 N PRO B 5 -9.576 -14.990 0.131 1.00 0.00 N ATOM 567 CA PRO B 5 -8.771 -15.794 -0.827 1.00 0.00 C ATOM 568 C PRO B 5 -7.238 -15.475 -0.920 1.00 0.00 C ATOM 569 O PRO B 5 -6.752 -14.395 -0.564 1.00 0.00 O ATOM 570 CB PRO B 5 -9.515 -15.523 -2.150 1.00 0.00 C ATOM 571 CG PRO B 5 -10.090 -14.126 -1.940 1.00 0.00 C ATOM 572 CD PRO B 5 -10.611 -14.169 -0.527 1.00 0.00 C ATOM 0 HA PRO B 5 -8.718 -16.838 -0.517 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -8.841 -15.558 -3.006 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -10.298 -16.259 -2.331 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -9.329 -13.356 -2.064 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -10.884 -13.907 -2.654 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -10.690 -13.175 -0.087 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -11.599 -14.625 -0.466 1.00 0.00 H new ATOM 573 N HIS B 6 -6.514 -16.477 -1.426 1.00 0.00 N ATOM 574 CA HIS B 6 -5.032 -16.552 -1.370 1.00 0.00 C ATOM 575 C HIS B 6 -4.370 -16.275 -2.755 1.00 0.00 C ATOM 576 O HIS B 6 -4.814 -16.808 -3.779 1.00 0.00 O ATOM 577 CB HIS B 6 -4.671 -18.008 -0.926 1.00 0.00 C ATOM 578 CG HIS B 6 -5.060 -18.436 0.491 1.00 0.00 C ATOM 579 ND1 HIS B 6 -6.357 -18.732 0.882 1.00 0.00 N ATOM 580 CD2 HIS B 6 -4.191 -18.481 1.587 1.00 0.00 C ATOM 581 CE1 HIS B 6 -6.152 -18.879 2.230 1.00 0.00 C ATOM 582 NE2 HIS B 6 -4.886 -18.794 2.742 1.00 0.00 N ATOM 0 H HIS B 6 -6.938 -17.277 -1.896 1.00 0.00 H new ATOM 0 HA HIS B 6 -4.663 -15.795 -0.678 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -5.141 -18.699 -1.626 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -3.593 -18.133 -1.030 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -3.128 -18.297 1.538 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -6.989 -19.062 2.887 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -4.552 -18.924 3.697 1.00 0.00 H new ATOM 583 N PHE B 7 -3.209 -15.597 -2.789 1.00 0.00 N ATOM 584 CA PHE B 7 -2.201 -15.850 -3.854 1.00 0.00 C ATOM 585 C PHE B 7 -0.750 -15.815 -3.275 1.00 0.00 C ATOM 586 O PHE B 7 -0.456 -15.148 -2.277 1.00 0.00 O ATOM 587 CB PHE B 7 -2.463 -14.943 -5.093 1.00 0.00 C ATOM 588 CG PHE B 7 -1.923 -13.508 -5.059 1.00 0.00 C ATOM 589 CD1 PHE B 7 -2.659 -12.443 -4.525 1.00 0.00 C ATOM 590 CD2 PHE B 7 -0.653 -13.254 -5.586 1.00 0.00 C ATOM 591 CE1 PHE B 7 -2.159 -11.155 -4.581 1.00 0.00 C ATOM 592 CE2 PHE B 7 -0.133 -11.979 -5.570 1.00 0.00 C ATOM 593 CZ PHE B 7 -0.899 -10.917 -5.126 1.00 0.00 C ATOM 0 H PHE B 7 -2.942 -14.883 -2.111 1.00 0.00 H new ATOM 0 HA PHE B 7 -2.310 -16.865 -4.235 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -2.039 -15.439 -5.966 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -3.541 -14.891 -5.248 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -3.620 -12.628 -4.068 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -0.076 -14.063 -6.008 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.746 -10.332 -4.202 1.00 0.00 H new ATOM 0 HE2 PHE B 7 0.879 -11.808 -5.906 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.522 -9.908 -5.201 1.00 0.00 H new ATOM 594 N ASN B 8 0.200 -16.488 -3.941 1.00 0.00 N ATOM 595 CA ASN B 8 1.645 -16.318 -3.625 1.00 0.00 C ATOM 596 C ASN B 8 2.175 -14.920 -4.082 1.00 0.00 C ATOM 597 O ASN B 8 2.669 -14.766 -5.203 1.00 0.00 O ATOM 598 CB ASN B 8 2.460 -17.504 -4.205 1.00 0.00 C ATOM 599 CG ASN B 8 2.252 -18.840 -3.491 1.00 0.00 C ATOM 600 OD1 ASN B 8 1.343 -19.602 -3.796 1.00 0.00 O ATOM 601 ND2 ASN B 8 3.048 -19.151 -2.501 1.00 0.00 N ATOM 0 H ASN B 8 0.008 -17.149 -4.694 1.00 0.00 H new ATOM 0 HA ASN B 8 1.776 -16.337 -2.543 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.198 -17.626 -5.256 1.00 0.00 H new ATOM 0 HB3 ASN B 8 3.519 -17.250 -4.168 1.00 0.00 H new ATOM 0 HD21 ASN B 8 2.909 -20.023 -1.990 1.00 0.00 H new ATOM 0 HD22 ASN B 8 3.808 -18.522 -2.240 1.00 0.00 H new ATOM 602 N PHE B 9 2.103 -13.899 -3.201 1.00 0.00 N ATOM 603 CA PHE B 9 2.980 -12.726 -3.301 1.00 0.00 C ATOM 604 C PHE B 9 4.433 -13.093 -2.863 1.00 0.00 C ATOM 605 O PHE B 9 4.751 -14.109 -2.256 1.00 0.00 O ATOM 606 CB PHE B 9 2.281 -11.553 -2.565 1.00 0.00 C ATOM 607 CG PHE B 9 2.744 -10.176 -3.043 1.00 0.00 C ATOM 608 CD1 PHE B 9 2.628 -9.814 -4.388 1.00 0.00 C ATOM 609 CD2 PHE B 9 3.239 -9.231 -2.145 1.00 0.00 C ATOM 610 CE1 PHE B 9 3.029 -8.570 -4.826 1.00 0.00 C ATOM 611 CE2 PHE B 9 3.718 -8.009 -2.589 1.00 0.00 C ATOM 612 CZ PHE B 9 3.534 -7.668 -3.911 1.00 0.00 C ATOM 0 H PHE B 9 1.449 -13.869 -2.419 1.00 0.00 H new ATOM 0 HA PHE B 9 3.126 -12.380 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.203 -11.635 -2.706 1.00 0.00 H new ATOM 0 HB3 PHE B 9 2.470 -11.641 -1.495 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.218 -10.520 -5.095 1.00 0.00 H new ATOM 0 HD2 PHE B 9 3.249 -9.455 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE B 9 2.949 -8.305 -5.870 1.00 0.00 H new ATOM 0 HE2 PHE B 9 4.225 -7.337 -1.912 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.791 -6.672 -4.239 1.00 0.00 H new ATOM 613 N ARG B 10 5.349 -12.394 -3.482 1.00 0.00 N ATOM 614 CA ARG B 10 6.458 -13.023 -4.257 1.00 0.00 C ATOM 615 C ARG B 10 7.337 -11.887 -4.836 1.00 0.00 C ATOM 616 O ARG B 10 7.035 -11.315 -5.889 1.00 0.00 O ATOM 617 CB ARG B 10 5.933 -14.070 -5.282 1.00 0.00 C ATOM 618 CG ARG B 10 6.883 -14.536 -6.392 1.00 0.00 C ATOM 619 CD ARG B 10 8.320 -14.919 -6.003 1.00 0.00 C ATOM 620 NE ARG B 10 9.029 -15.435 -7.206 1.00 0.00 N ATOM 621 CZ ARG B 10 9.643 -14.699 -8.122 1.00 0.00 C ATOM 622 NH1 ARG B 10 9.689 -13.399 -8.110 1.00 0.00 N ATOM 623 NH2 ARG B 10 10.224 -15.320 -9.085 1.00 0.00 N ATOM 0 H ARG B 10 5.373 -11.374 -3.481 1.00 0.00 H new ATOM 0 HA ARG B 10 7.100 -13.627 -3.615 1.00 0.00 H new ATOM 0 HB2 ARG B 10 5.614 -14.951 -4.725 1.00 0.00 H new ATOM 0 HB3 ARG B 10 5.044 -13.655 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG B 10 6.429 -15.399 -6.879 1.00 0.00 H new ATOM 0 HG3 ARG B 10 6.940 -13.742 -7.137 1.00 0.00 H new ATOM 0 HD2 ARG B 10 8.844 -14.052 -5.600 1.00 0.00 H new ATOM 0 HD3 ARG B 10 8.308 -15.677 -5.220 1.00 0.00 H new ATOM 0 HE ARG B 10 9.044 -16.446 -7.337 1.00 0.00 H new ATOM 0 HH11 ARG B 10 9.233 -12.879 -7.360 1.00 0.00 H new ATOM 0 HH12 ARG B 10 10.181 -12.899 -8.850 1.00 0.00 H new ATOM 0 HH21 ARG B 10 10.201 -16.339 -9.122 1.00 0.00 H new ATOM 0 HH22 ARG B 10 10.709 -14.794 -9.812 1.00 0.00 H new ATOM 624 N MET B 11 8.393 -11.515 -4.107 1.00 0.00 N ATOM 625 CA MET B 11 8.939 -10.136 -4.226 1.00 0.00 C ATOM 626 C MET B 11 10.490 -10.114 -4.450 1.00 0.00 C ATOM 627 O MET B 11 11.189 -10.714 -3.629 1.00 0.00 O ATOM 628 CB MET B 11 8.551 -9.283 -2.988 1.00 0.00 C ATOM 629 CG MET B 11 7.113 -9.301 -2.428 1.00 0.00 C ATOM 630 SD MET B 11 6.903 -10.774 -1.406 1.00 0.00 S ATOM 631 CE MET B 11 5.555 -10.279 -0.331 1.00 0.00 C ATOM 0 H MET B 11 8.882 -12.118 -3.445 1.00 0.00 H new ATOM 0 HA MET B 11 8.488 -9.696 -5.115 1.00 0.00 H new ATOM 0 HB2 MET B 11 9.214 -9.581 -2.175 1.00 0.00 H new ATOM 0 HB3 MET B 11 8.787 -8.246 -3.228 1.00 0.00 H new ATOM 0 HG2 MET B 11 6.927 -8.403 -1.838 1.00 0.00 H new ATOM 0 HG3 MET B 11 6.390 -9.302 -3.244 1.00 0.00 H new ATOM 0 HE1 MET B 11 5.844 -10.431 0.709 1.00 0.00 H new ATOM 0 HE2 MET B 11 5.327 -9.226 -0.494 1.00 0.00 H new ATOM 0 HE3 MET B 11 4.673 -10.879 -0.553 1.00 0.00 H new ATOM 632 N PRO B 12 11.105 -9.397 -5.445 1.00 0.00 N ATOM 633 CA PRO B 12 12.581 -9.151 -5.482 1.00 0.00 C ATOM 634 C PRO B 12 13.262 -8.718 -4.142 1.00 0.00 C ATOM 635 O PRO B 12 12.636 -8.030 -3.328 1.00 0.00 O ATOM 636 CB PRO B 12 12.693 -8.062 -6.568 1.00 0.00 C ATOM 637 CG PRO B 12 11.489 -8.280 -7.483 1.00 0.00 C ATOM 638 CD PRO B 12 10.377 -8.732 -6.541 1.00 0.00 C ATOM 0 HA PRO B 12 13.121 -10.076 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO B 12 12.677 -7.065 -6.128 1.00 0.00 H new ATOM 0 HB3 PRO B 12 13.628 -8.152 -7.120 1.00 0.00 H new ATOM 0 HG2 PRO B 12 11.218 -7.364 -8.008 1.00 0.00 H new ATOM 0 HG3 PRO B 12 11.698 -9.033 -8.243 1.00 0.00 H new ATOM 0 HD2 PRO B 12 9.790 -7.888 -6.179 1.00 0.00 H new ATOM 0 HD3 PRO B 12 9.685 -9.414 -7.035 1.00 0.00 H new ATOM 639 N MET B 13 14.520 -9.132 -3.902 1.00 0.00 N ATOM 640 CA MET B 13 15.150 -9.052 -2.548 1.00 0.00 C ATOM 641 C MET B 13 15.057 -7.705 -1.766 1.00 0.00 C ATOM 642 O MET B 13 14.858 -7.731 -0.554 1.00 0.00 O ATOM 643 CB MET B 13 16.625 -9.543 -2.593 1.00 0.00 C ATOM 644 CG MET B 13 17.290 -9.847 -1.223 1.00 0.00 C ATOM 645 SD MET B 13 16.906 -11.473 -0.525 1.00 0.00 S ATOM 646 CE MET B 13 15.168 -11.429 -0.037 1.00 0.00 C ATOM 0 H MET B 13 15.129 -9.526 -4.619 1.00 0.00 H new ATOM 0 HA MET B 13 14.518 -9.720 -1.963 1.00 0.00 H new ATOM 0 HB2 MET B 13 16.667 -10.446 -3.202 1.00 0.00 H new ATOM 0 HB3 MET B 13 17.222 -8.787 -3.103 1.00 0.00 H new ATOM 0 HG2 MET B 13 18.371 -9.763 -1.335 1.00 0.00 H new ATOM 0 HG3 MET B 13 16.983 -9.081 -0.510 1.00 0.00 H new ATOM 0 HE1 MET B 13 15.026 -12.037 0.857 1.00 0.00 H new ATOM 0 HE2 MET B 13 14.875 -10.400 0.173 1.00 0.00 H new ATOM 0 HE3 MET B 13 14.553 -11.824 -0.846 1.00 0.00 H new ATOM 647 N GLU B 14 15.154 -6.543 -2.429 1.00 0.00 N ATOM 648 CA GLU B 14 14.857 -5.247 -1.774 1.00 0.00 C ATOM 649 C GLU B 14 13.376 -5.048 -1.306 1.00 0.00 C ATOM 650 O GLU B 14 13.202 -4.683 -0.156 1.00 0.00 O ATOM 651 CB GLU B 14 15.472 -4.090 -2.607 1.00 0.00 C ATOM 652 CG GLU B 14 14.647 -3.660 -3.845 1.00 0.00 C ATOM 653 CD GLU B 14 15.275 -2.545 -4.671 1.00 0.00 C ATOM 654 OE1 GLU B 14 16.066 -2.751 -5.584 1.00 0.00 O ATOM 655 OE2 GLU B 14 14.849 -1.308 -4.280 1.00 0.00 O ATOM 0 H GLU B 14 15.432 -6.467 -3.407 1.00 0.00 H new ATOM 0 HA GLU B 14 15.355 -5.244 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU B 14 15.601 -3.224 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.466 -4.391 -2.939 1.00 0.00 H new ATOM 0 HG2 GLU B 14 14.499 -4.529 -4.486 1.00 0.00 H new ATOM 0 HG3 GLU B 14 13.660 -3.337 -3.513 1.00 0.00 H new ATOM 656 N VAL B 15 12.311 -5.304 -2.088 1.00 0.00 N ATOM 657 CA VAL B 15 10.901 -5.276 -1.576 1.00 0.00 C ATOM 658 C VAL B 15 10.670 -6.289 -0.433 1.00 0.00 C ATOM 659 O VAL B 15 10.055 -5.909 0.548 1.00 0.00 O ATOM 660 CB VAL B 15 9.822 -5.528 -2.689 1.00 0.00 C ATOM 661 CG1 VAL B 15 8.644 -4.547 -2.581 1.00 0.00 C ATOM 662 CG2 VAL B 15 10.266 -5.565 -4.174 1.00 0.00 C ATOM 0 H VAL B 15 12.385 -5.534 -3.079 1.00 0.00 H new ATOM 0 HA VAL B 15 10.776 -4.261 -1.199 1.00 0.00 H new ATOM 0 HB VAL B 15 9.548 -6.556 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL B 15 7.922 -4.757 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL B 15 8.163 -4.661 -1.609 1.00 0.00 H new ATOM 0 HG13 VAL B 15 9.010 -3.526 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.399 -5.749 -4.809 1.00 0.00 H new ATOM 0 HG22 VAL B 15 10.717 -4.610 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.995 -6.363 -4.316 1.00 0.00 H new ATOM 663 N ARG B 16 11.102 -7.550 -0.543 1.00 0.00 N ATOM 664 CA ARG B 16 10.940 -8.506 0.568 1.00 0.00 C ATOM 665 C ARG B 16 11.882 -8.322 1.776 1.00 0.00 C ATOM 666 O ARG B 16 11.383 -8.483 2.878 1.00 0.00 O ATOM 667 CB ARG B 16 10.884 -9.948 0.033 1.00 0.00 C ATOM 668 CG ARG B 16 9.629 -10.704 0.545 1.00 0.00 C ATOM 669 CD ARG B 16 9.999 -11.756 1.599 1.00 0.00 C ATOM 670 NE ARG B 16 9.057 -12.894 1.523 1.00 0.00 N ATOM 671 CZ ARG B 16 9.280 -14.092 2.058 1.00 0.00 C ATOM 672 NH1 ARG B 16 10.289 -14.395 2.819 1.00 0.00 N ATOM 673 NH2 ARG B 16 8.460 -15.032 1.773 1.00 0.00 N ATOM 0 H ARG B 16 11.559 -7.931 -1.372 1.00 0.00 H new ATOM 0 HA ARG B 16 9.976 -8.267 1.016 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.879 -9.931 -1.057 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.782 -10.485 0.340 1.00 0.00 H new ATOM 0 HG2 ARG B 16 8.923 -9.992 0.972 1.00 0.00 H new ATOM 0 HG3 ARG B 16 9.127 -11.188 -0.293 1.00 0.00 H new ATOM 0 HD2 ARG B 16 11.019 -12.105 1.436 1.00 0.00 H new ATOM 0 HD3 ARG B 16 9.969 -11.313 2.594 1.00 0.00 H new ATOM 0 HE ARG B 16 8.177 -12.751 1.027 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.986 -13.687 3.047 1.00 0.00 H new ATOM 0 HH12 ARG B 16 10.383 -15.341 3.188 1.00 0.00 H new ATOM 0 HH21 ARG B 16 7.669 -14.849 1.155 1.00 0.00 H new ATOM 0 HH22 ARG B 16 8.597 -15.964 2.164 1.00 0.00 H new ATOM 674 N GLU B 17 13.147 -7.886 1.672 1.00 0.00 N ATOM 675 CA GLU B 17 13.833 -7.311 2.865 1.00 0.00 C ATOM 676 C GLU B 17 13.202 -5.982 3.376 1.00 0.00 C ATOM 677 O GLU B 17 13.039 -5.854 4.580 1.00 0.00 O ATOM 678 CB GLU B 17 15.349 -7.137 2.650 1.00 0.00 C ATOM 679 CG GLU B 17 16.199 -8.425 2.508 1.00 0.00 C ATOM 680 CD GLU B 17 16.093 -9.511 3.585 1.00 0.00 C ATOM 681 OE1 GLU B 17 16.147 -9.008 4.852 1.00 0.00 O ATOM 682 OE2 GLU B 17 15.987 -10.704 3.321 1.00 0.00 O ATOM 0 H GLU B 17 13.705 -7.912 0.819 1.00 0.00 H new ATOM 0 HA GLU B 17 13.681 -8.054 3.648 1.00 0.00 H new ATOM 0 HB2 GLU B 17 15.496 -6.535 1.753 1.00 0.00 H new ATOM 0 HB3 GLU B 17 15.745 -6.562 3.487 1.00 0.00 H new ATOM 0 HG2 GLU B 17 15.943 -8.884 1.553 1.00 0.00 H new ATOM 0 HG3 GLU B 17 17.245 -8.123 2.447 1.00 0.00 H new ATOM 683 N LYS B 18 12.799 -5.020 2.535 1.00 0.00 N ATOM 684 CA LYS B 18 12.046 -3.825 2.990 1.00 0.00 C ATOM 685 C LYS B 18 10.646 -4.117 3.627 1.00 0.00 C ATOM 686 O LYS B 18 10.372 -3.586 4.697 1.00 0.00 O ATOM 687 CB LYS B 18 12.093 -2.714 1.919 1.00 0.00 C ATOM 688 CG LYS B 18 13.469 -2.134 1.478 1.00 0.00 C ATOM 689 CD LYS B 18 13.426 -1.104 0.317 1.00 0.00 C ATOM 690 CE LYS B 18 12.952 -1.608 -1.053 1.00 0.00 C ATOM 691 NZ LYS B 18 12.958 -0.511 -2.040 1.00 0.00 N ATOM 0 H LYS B 18 12.979 -5.039 1.531 1.00 0.00 H new ATOM 0 HA LYS B 18 12.568 -3.426 3.860 1.00 0.00 H new ATOM 0 HB2 LYS B 18 11.599 -3.099 1.027 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.490 -1.883 2.284 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.936 -1.661 2.342 1.00 0.00 H new ATOM 0 HG3 LYS B 18 14.113 -2.962 1.181 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.775 -0.283 0.618 1.00 0.00 H new ATOM 0 HD3 LYS B 18 14.427 -0.690 0.196 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.601 -2.415 -1.394 1.00 0.00 H new ATOM 0 HE3 LYS B 18 11.947 -2.021 -0.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.996 -0.371 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.284 0.365 -1.584 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.598 -0.752 -2.823 1.00 0.00 H new ATOM 692 N LEU B 19 9.793 -4.969 3.044 1.00 0.00 N ATOM 693 CA LEU B 19 8.470 -5.375 3.597 1.00 0.00 C ATOM 694 C LEU B 19 8.552 -6.342 4.830 1.00 0.00 C ATOM 695 O LEU B 19 7.714 -6.276 5.729 1.00 0.00 O ATOM 696 CB LEU B 19 7.667 -5.875 2.348 1.00 0.00 C ATOM 697 CG LEU B 19 6.122 -5.916 2.382 1.00 0.00 C ATOM 698 CD1 LEU B 19 5.420 -4.569 2.621 1.00 0.00 C ATOM 699 CD2 LEU B 19 5.662 -6.543 1.041 1.00 0.00 C ATOM 0 H LEU B 19 9.999 -5.414 2.149 1.00 0.00 H new ATOM 0 HA LEU B 19 7.938 -4.551 4.073 1.00 0.00 H new ATOM 0 HB2 LEU B 19 7.955 -5.246 1.506 1.00 0.00 H new ATOM 0 HB3 LEU B 19 8.012 -6.885 2.125 1.00 0.00 H new ATOM 0 HG LEU B 19 5.830 -6.507 3.250 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.340 -4.717 2.625 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.734 -4.160 3.582 1.00 0.00 H new ATOM 0 HD13 LEU B 19 5.688 -3.873 1.826 1.00 0.00 H new ATOM 0 HD21 LEU B 19 4.573 -6.594 1.017 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.015 -5.929 0.212 1.00 0.00 H new ATOM 0 HD23 LEU B 19 6.074 -7.548 0.949 1.00 0.00 H new ATOM 700 N LYS B 20 9.546 -7.248 4.858 1.00 0.00 N ATOM 701 CA LYS B 20 9.799 -8.212 5.944 1.00 0.00 C ATOM 702 C LYS B 20 10.720 -7.671 7.086 1.00 0.00 C ATOM 703 O LYS B 20 10.516 -8.069 8.228 1.00 0.00 O ATOM 704 CB LYS B 20 10.412 -9.478 5.327 1.00 0.00 C ATOM 705 CG LYS B 20 10.369 -10.787 6.135 1.00 0.00 C ATOM 706 CD LYS B 20 11.128 -11.970 5.473 1.00 0.00 C ATOM 707 CE LYS B 20 12.302 -11.627 4.530 1.00 0.00 C ATOM 708 NZ LYS B 20 12.961 -12.839 4.011 1.00 0.00 N ATOM 0 H LYS B 20 10.220 -7.332 4.097 1.00 0.00 H new ATOM 0 HA LYS B 20 8.842 -8.418 6.423 1.00 0.00 H new ATOM 0 HB2 LYS B 20 9.910 -9.659 4.377 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.456 -9.263 5.100 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.793 -10.605 7.123 1.00 0.00 H new ATOM 0 HG3 LYS B 20 9.328 -11.075 6.283 1.00 0.00 H new ATOM 0 HD2 LYS B 20 11.511 -12.610 6.268 1.00 0.00 H new ATOM 0 HD3 LYS B 20 10.405 -12.560 4.909 1.00 0.00 H new ATOM 0 HE2 LYS B 20 11.935 -11.028 3.697 1.00 0.00 H new ATOM 0 HE3 LYS B 20 13.031 -11.018 5.064 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 13.978 -12.800 4.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 12.545 -13.680 4.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 12.826 -12.894 2.981 1.00 0.00 H new ATOM 709 N PHE B 21 11.686 -6.748 6.837 1.00 0.00 N ATOM 710 CA PHE B 21 12.104 -5.738 7.851 1.00 0.00 C ATOM 711 C PHE B 21 10.912 -4.918 8.305 1.00 0.00 C ATOM 712 O PHE B 21 10.488 -5.241 9.388 1.00 0.00 O ATOM 713 CB PHE B 21 13.235 -4.765 7.425 1.00 0.00 C ATOM 714 CG PHE B 21 14.625 -5.348 7.317 1.00 0.00 C ATOM 715 CD1 PHE B 21 15.132 -6.240 8.263 1.00 0.00 C ATOM 716 CD2 PHE B 21 15.413 -4.953 6.242 1.00 0.00 C ATOM 717 CE1 PHE B 21 16.381 -6.805 8.076 1.00 0.00 C ATOM 718 CE2 PHE B 21 16.665 -5.509 6.056 1.00 0.00 C ATOM 719 CZ PHE B 21 17.158 -6.447 6.969 1.00 0.00 C ATOM 0 H PHE B 21 12.187 -6.681 5.951 1.00 0.00 H new ATOM 0 HA PHE B 21 12.520 -6.342 8.658 1.00 0.00 H new ATOM 0 HB2 PHE B 21 12.969 -4.336 6.459 1.00 0.00 H new ATOM 0 HB3 PHE B 21 13.265 -3.943 8.141 1.00 0.00 H new ATOM 0 HD1 PHE B 21 14.551 -6.489 9.139 1.00 0.00 H new ATOM 0 HD2 PHE B 21 15.046 -4.209 5.550 1.00 0.00 H new ATOM 0 HE1 PHE B 21 16.758 -7.525 8.787 1.00 0.00 H new ATOM 0 HE2 PHE B 21 17.263 -5.219 5.205 1.00 0.00 H new ATOM 0 HZ PHE B 21 18.131 -6.891 6.821 1.00 0.00 H new ATOM 720 N ARG B 22 10.301 -3.972 7.595 1.00 0.00 N ATOM 721 CA ARG B 22 9.048 -3.304 8.057 1.00 0.00 C ATOM 722 C ARG B 22 8.052 -4.176 8.945 1.00 0.00 C ATOM 723 O ARG B 22 7.774 -3.780 10.074 1.00 0.00 O ATOM 724 CB ARG B 22 8.592 -2.521 6.805 1.00 0.00 C ATOM 725 CG ARG B 22 7.674 -1.318 7.079 1.00 0.00 C ATOM 726 CD ARG B 22 6.192 -1.619 6.878 1.00 0.00 C ATOM 727 NE ARG B 22 5.857 -1.782 5.436 1.00 0.00 N ATOM 728 CZ ARG B 22 5.625 -0.788 4.579 1.00 0.00 C ATOM 729 NH1 ARG B 22 5.776 0.469 4.864 1.00 0.00 N ATOM 730 NH2 ARG B 22 5.205 -1.089 3.402 1.00 0.00 N ATOM 0 H ARG B 22 10.641 -3.638 6.693 1.00 0.00 H new ATOM 0 HA ARG B 22 9.166 -2.594 8.876 1.00 0.00 H new ATOM 0 HB2 ARG B 22 9.477 -2.168 6.275 1.00 0.00 H new ATOM 0 HB3 ARG B 22 8.073 -3.208 6.136 1.00 0.00 H new ATOM 0 HG2 ARG B 22 7.831 -0.978 8.103 1.00 0.00 H new ATOM 0 HG3 ARG B 22 7.961 -0.496 6.423 1.00 0.00 H new ATOM 0 HD2 ARG B 22 5.928 -2.528 7.419 1.00 0.00 H new ATOM 0 HD3 ARG B 22 5.595 -0.811 7.302 1.00 0.00 H new ATOM 0 HE ARG B 22 5.800 -2.734 5.074 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.091 0.747 5.794 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.580 1.179 4.158 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.059 -2.066 3.147 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.018 -0.351 2.723 1.00 0.00 H new ATOM 731 N ALA B 23 7.813 -5.469 8.615 1.00 0.00 N ATOM 732 CA ALA B 23 7.385 -6.508 9.600 1.00 0.00 C ATOM 733 C ALA B 23 8.303 -6.791 10.861 1.00 0.00 C ATOM 734 O ALA B 23 7.953 -6.379 11.967 1.00 0.00 O ATOM 735 CB ALA B 23 7.002 -7.739 8.745 1.00 0.00 C ATOM 0 H ALA B 23 7.909 -5.826 7.664 1.00 0.00 H new ATOM 0 HA ALA B 23 6.538 -6.126 10.170 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.676 -8.548 9.398 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.193 -7.472 8.065 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.868 -8.065 8.168 1.00 0.00 H new ATOM 736 N GLU B 24 9.452 -7.475 10.719 1.00 0.00 N ATOM 737 CA GLU B 24 10.452 -7.720 11.816 1.00 0.00 C ATOM 738 C GLU B 24 11.125 -6.479 12.524 1.00 0.00 C ATOM 739 O GLU B 24 11.233 -6.442 13.749 1.00 0.00 O ATOM 740 CB GLU B 24 11.548 -8.694 11.285 1.00 0.00 C ATOM 741 CG GLU B 24 11.077 -10.108 10.850 1.00 0.00 C ATOM 742 CD GLU B 24 12.210 -11.043 10.437 1.00 0.00 C ATOM 743 OE1 GLU B 24 12.803 -11.634 11.509 1.00 0.00 O ATOM 744 OE2 GLU B 24 12.551 -11.250 9.276 1.00 0.00 O ATOM 0 H GLU B 24 9.733 -7.887 9.829 1.00 0.00 H new ATOM 0 HA GLU B 24 9.850 -8.140 12.622 1.00 0.00 H new ATOM 0 HB2 GLU B 24 12.038 -8.222 10.433 1.00 0.00 H new ATOM 0 HB3 GLU B 24 12.303 -8.812 12.062 1.00 0.00 H new ATOM 0 HG2 GLU B 24 10.525 -10.564 11.672 1.00 0.00 H new ATOM 0 HG3 GLU B 24 10.382 -10.007 10.017 1.00 0.00 H new ATOM 745 N ALA B 25 11.584 -5.491 11.742 1.00 0.00 N ATOM 746 CA ALA B 25 11.847 -4.091 12.166 1.00 0.00 C ATOM 747 C ALA B 25 10.813 -3.444 13.181 1.00 0.00 C ATOM 748 O ALA B 25 11.229 -2.893 14.202 1.00 0.00 O ATOM 749 CB ALA B 25 11.860 -3.213 10.894 1.00 0.00 C ATOM 0 H ALA B 25 11.793 -5.642 10.755 1.00 0.00 H new ATOM 0 HA ALA B 25 12.793 -4.130 12.706 1.00 0.00 H new ATOM 0 HB1 ALA B 25 12.051 -2.176 11.170 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.644 -3.560 10.221 1.00 0.00 H new ATOM 0 HB3 ALA B 25 10.894 -3.283 10.393 1.00 0.00 H new ATOM 750 N ASN B 26 9.484 -3.488 12.879 1.00 0.00 N ATOM 751 CA ASN B 26 8.422 -2.917 13.765 1.00 0.00 C ATOM 752 C ASN B 26 7.877 -3.893 14.875 1.00 0.00 C ATOM 753 O ASN B 26 7.728 -3.492 16.032 1.00 0.00 O ATOM 754 CB ASN B 26 7.201 -2.467 12.909 1.00 0.00 C ATOM 755 CG ASN B 26 7.336 -1.450 11.773 1.00 0.00 C ATOM 756 OD1 ASN B 26 8.343 -0.804 11.509 1.00 0.00 O ATOM 757 ND2 ASN B 26 6.280 -1.370 11.003 1.00 0.00 N ATOM 0 H ASN B 26 9.120 -3.914 12.027 1.00 0.00 H new ATOM 0 HA ASN B 26 8.912 -2.087 14.274 1.00 0.00 H new ATOM 0 HB2 ASN B 26 6.773 -3.370 12.473 1.00 0.00 H new ATOM 0 HB3 ASN B 26 6.462 -2.067 13.603 1.00 0.00 H new ATOM 0 HD21 ASN B 26 6.294 -0.768 10.180 1.00 0.00 H new ATOM 0 HD22 ASN B 26 5.444 -1.910 11.227 1.00 0.00 H new ATOM 758 N GLY B 27 7.460 -5.115 14.490 1.00 0.00 N ATOM 759 CA GLY B 27 6.562 -5.989 15.308 1.00 0.00 C ATOM 760 C GLY B 27 5.281 -6.592 14.653 1.00 0.00 C ATOM 761 O GLY B 27 4.395 -7.026 15.390 1.00 0.00 O ATOM 0 H GLY B 27 7.731 -5.536 13.601 1.00 0.00 H new ATOM 0 HA2 GLY B 27 7.162 -6.820 15.679 1.00 0.00 H new ATOM 0 HA3 GLY B 27 6.245 -5.412 16.177 1.00 0.00 H new ATOM 762 N ARG B 28 5.162 -6.682 13.316 1.00 0.00 N ATOM 763 CA ARG B 28 4.099 -7.482 12.635 1.00 0.00 C ATOM 764 C ARG B 28 4.825 -8.622 11.836 1.00 0.00 C ATOM 765 O ARG B 28 6.051 -8.657 11.690 1.00 0.00 O ATOM 766 CB ARG B 28 3.143 -6.539 11.863 1.00 0.00 C ATOM 767 CG ARG B 28 2.516 -5.307 12.561 1.00 0.00 C ATOM 768 CD ARG B 28 1.531 -4.515 11.657 1.00 0.00 C ATOM 769 NE ARG B 28 1.098 -3.261 12.260 1.00 0.00 N ATOM 770 CZ ARG B 28 0.185 -3.159 13.235 1.00 0.00 C ATOM 771 NH1 ARG B 28 -0.335 -4.164 13.875 1.00 0.00 N ATOM 772 NH2 ARG B 28 -0.240 -1.991 13.534 1.00 0.00 N ATOM 0 H ARG B 28 5.792 -6.208 12.669 1.00 0.00 H new ATOM 0 HA ARG B 28 3.416 -7.995 13.312 1.00 0.00 H new ATOM 0 HB2 ARG B 28 3.687 -6.172 10.993 1.00 0.00 H new ATOM 0 HB3 ARG B 28 2.321 -7.150 11.491 1.00 0.00 H new ATOM 0 HG2 ARG B 28 1.989 -5.636 13.457 1.00 0.00 H new ATOM 0 HG3 ARG B 28 3.314 -4.640 12.887 1.00 0.00 H new ATOM 0 HD2 ARG B 28 2.010 -4.307 10.700 1.00 0.00 H new ATOM 0 HD3 ARG B 28 0.658 -5.134 11.449 1.00 0.00 H new ATOM 0 HE ARG B 28 1.520 -2.399 11.915 1.00 0.00 H new ATOM 0 HH11 ARG B 28 -0.051 -5.117 13.646 1.00 0.00 H new ATOM 0 HH12 ARG B 28 -1.027 -4.000 14.607 1.00 0.00 H new ATOM 0 HH21 ARG B 28 0.116 -1.176 13.035 1.00 0.00 H new ATOM 0 HH22 ARG B 28 -0.935 -1.875 14.271 1.00 0.00 H new ATOM 773 N SER B 29 4.094 -9.633 11.365 1.00 0.00 N ATOM 774 CA SER B 29 4.721 -10.836 10.725 1.00 0.00 C ATOM 775 C SER B 29 4.138 -10.896 9.305 1.00 0.00 C ATOM 776 O SER B 29 2.925 -11.016 9.221 1.00 0.00 O ATOM 777 CB SER B 29 4.430 -12.096 11.578 1.00 0.00 C ATOM 778 OG SER B 29 3.033 -12.399 11.668 1.00 0.00 O ATOM 0 H SER B 29 3.075 -9.663 11.404 1.00 0.00 H new ATOM 0 HA SER B 29 5.808 -10.780 10.667 1.00 0.00 H new ATOM 0 HB2 SER B 29 4.954 -12.949 11.147 1.00 0.00 H new ATOM 0 HB3 SER B 29 4.830 -11.949 12.581 1.00 0.00 H new ATOM 0 HG SER B 29 2.573 -12.061 10.871 1.00 0.00 H new ATOM 779 N MET B 30 4.884 -10.686 8.209 1.00 0.00 N ATOM 780 CA MET B 30 4.361 -9.933 7.023 1.00 0.00 C ATOM 781 C MET B 30 2.913 -10.190 6.536 1.00 0.00 C ATOM 782 O MET B 30 2.209 -9.217 6.376 1.00 0.00 O ATOM 783 CB MET B 30 5.230 -10.117 5.777 1.00 0.00 C ATOM 784 CG MET B 30 6.656 -9.657 5.808 1.00 0.00 C ATOM 785 SD MET B 30 7.497 -10.390 4.394 1.00 0.00 S ATOM 786 CE MET B 30 7.346 -9.024 3.243 1.00 0.00 C ATOM 0 H MET B 30 5.843 -11.017 8.105 1.00 0.00 H new ATOM 0 HA MET B 30 4.384 -8.931 7.452 1.00 0.00 H new ATOM 0 HB2 MET B 30 5.233 -11.179 5.532 1.00 0.00 H new ATOM 0 HB3 MET B 30 4.736 -9.601 4.953 1.00 0.00 H new ATOM 0 HG2 MET B 30 6.708 -8.569 5.763 1.00 0.00 H new ATOM 0 HG3 MET B 30 7.136 -9.961 6.738 1.00 0.00 H new ATOM 0 HE1 MET B 30 6.760 -9.339 2.379 1.00 0.00 H new ATOM 0 HE2 MET B 30 6.848 -8.188 3.734 1.00 0.00 H new ATOM 0 HE3 MET B 30 8.338 -8.713 2.915 1.00 0.00 H new ATOM 787 N ASN B 31 2.358 -11.393 6.370 1.00 0.00 N ATOM 788 CA ASN B 31 0.870 -11.519 6.241 1.00 0.00 C ATOM 789 C ASN B 31 0.009 -10.641 7.261 1.00 0.00 C ATOM 790 O ASN B 31 -0.830 -9.869 6.813 1.00 0.00 O ATOM 791 CB ASN B 31 0.520 -13.027 6.193 1.00 0.00 C ATOM 792 CG ASN B 31 -0.959 -13.324 5.988 1.00 0.00 C ATOM 793 OD1 ASN B 31 -1.667 -13.721 6.902 1.00 0.00 O ATOM 794 ND2 ASN B 31 -1.477 -13.062 4.820 1.00 0.00 N ATOM 0 H ASN B 31 2.875 -12.271 6.321 1.00 0.00 H new ATOM 0 HA ASN B 31 0.562 -11.059 5.302 1.00 0.00 H new ATOM 0 HB2 ASN B 31 1.087 -13.493 5.387 1.00 0.00 H new ATOM 0 HB3 ASN B 31 0.846 -13.493 7.123 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -2.477 -13.188 4.666 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -0.882 -12.731 4.061 1.00 0.00 H new ATOM 795 N SER B 32 0.373 -10.608 8.554 1.00 0.00 N ATOM 796 CA SER B 32 0.149 -9.436 9.460 1.00 0.00 C ATOM 797 C SER B 32 0.741 -8.023 9.113 1.00 0.00 C ATOM 798 O SER B 32 -0.064 -7.090 9.024 1.00 0.00 O ATOM 799 CB SER B 32 0.392 -9.868 10.925 1.00 0.00 C ATOM 800 OG SER B 32 -0.515 -10.900 11.315 1.00 0.00 O ATOM 0 H SER B 32 0.835 -11.391 9.016 1.00 0.00 H new ATOM 0 HA SER B 32 -0.896 -9.188 9.274 1.00 0.00 H new ATOM 0 HB2 SER B 32 1.418 -10.219 11.038 1.00 0.00 H new ATOM 0 HB3 SER B 32 0.275 -9.008 11.585 1.00 0.00 H new ATOM 0 HG SER B 32 -0.339 -11.156 12.244 1.00 0.00 H new ATOM 801 N GLU B 33 2.065 -7.784 8.929 1.00 0.00 N ATOM 802 CA GLU B 33 2.543 -6.399 8.544 1.00 0.00 C ATOM 803 C GLU B 33 2.073 -5.915 7.166 1.00 0.00 C ATOM 804 O GLU B 33 1.401 -4.899 7.094 1.00 0.00 O ATOM 805 CB GLU B 33 4.072 -6.214 8.471 1.00 0.00 C ATOM 806 CG GLU B 33 4.534 -4.723 8.416 1.00 0.00 C ATOM 807 CD GLU B 33 4.489 -3.920 9.711 1.00 0.00 C ATOM 808 OE1 GLU B 33 5.094 -4.231 10.727 1.00 0.00 O ATOM 809 OE2 GLU B 33 3.675 -2.836 9.633 1.00 0.00 O ATOM 0 H GLU B 33 2.801 -8.483 9.031 1.00 0.00 H new ATOM 0 HA GLU B 33 2.104 -5.831 9.364 1.00 0.00 H new ATOM 0 HB2 GLU B 33 4.526 -6.692 9.339 1.00 0.00 H new ATOM 0 HB3 GLU B 33 4.448 -6.732 7.589 1.00 0.00 H new ATOM 0 HG2 GLU B 33 5.558 -4.703 8.044 1.00 0.00 H new ATOM 0 HG3 GLU B 33 3.917 -4.207 7.680 1.00 0.00 H new ATOM 810 N LEU B 34 2.479 -6.635 6.098 1.00 0.00 N ATOM 811 CA LEU B 34 2.008 -6.480 4.725 1.00 0.00 C ATOM 812 C LEU B 34 0.486 -6.197 4.772 1.00 0.00 C ATOM 813 O LEU B 34 0.145 -5.143 4.278 1.00 0.00 O ATOM 814 CB LEU B 34 2.446 -7.758 3.935 1.00 0.00 C ATOM 815 CG LEU B 34 2.924 -7.687 2.467 1.00 0.00 C ATOM 816 CD1 LEU B 34 2.705 -8.969 1.650 1.00 0.00 C ATOM 817 CD2 LEU B 34 2.302 -6.553 1.641 1.00 0.00 C ATOM 0 H LEU B 34 3.178 -7.373 6.185 1.00 0.00 H new ATOM 0 HA LEU B 34 2.443 -5.634 4.192 1.00 0.00 H new ATOM 0 HB2 LEU B 34 3.251 -8.221 4.506 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.602 -8.447 3.958 1.00 0.00 H new ATOM 0 HG LEU B 34 3.989 -7.511 2.617 1.00 0.00 H new ATOM 0 HD11 LEU B 34 3.072 -8.820 0.634 1.00 0.00 H new ATOM 0 HD12 LEU B 34 3.246 -9.793 2.115 1.00 0.00 H new ATOM 0 HD13 LEU B 34 1.641 -9.204 1.620 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.697 -6.583 0.626 1.00 0.00 H new ATOM 0 HD22 LEU B 34 1.219 -6.675 1.613 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.547 -5.594 2.097 1.00 0.00 H new ATOM 818 N LEU B 35 -0.426 -6.984 5.413 1.00 0.00 N ATOM 819 CA LEU B 35 -1.870 -6.642 5.361 1.00 0.00 C ATOM 820 C LEU B 35 -2.264 -5.336 6.041 1.00 0.00 C ATOM 821 O LEU B 35 -2.798 -4.457 5.374 1.00 0.00 O ATOM 822 CB LEU B 35 -2.819 -7.736 5.904 1.00 0.00 C ATOM 823 CG LEU B 35 -3.302 -8.792 4.910 1.00 0.00 C ATOM 824 CD1 LEU B 35 -4.330 -9.623 5.649 1.00 0.00 C ATOM 825 CD2 LEU B 35 -3.906 -8.103 3.664 1.00 0.00 C ATOM 0 H LEU B 35 -0.198 -7.822 5.948 1.00 0.00 H new ATOM 0 HA LEU B 35 -2.000 -6.537 4.284 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -2.313 -8.248 6.722 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -3.695 -7.245 6.328 1.00 0.00 H new ATOM 0 HG LEU B 35 -2.490 -9.425 4.552 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -4.714 -10.399 4.987 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -3.866 -10.086 6.520 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -5.151 -8.983 5.973 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -4.248 -8.861 2.959 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -4.748 -7.480 3.965 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -3.147 -7.482 3.188 1.00 0.00 H new ATOM 826 N GLN B 36 -2.015 -5.224 7.343 1.00 0.00 N ATOM 827 CA GLN B 36 -2.260 -3.964 8.067 1.00 0.00 C ATOM 828 C GLN B 36 -1.580 -2.721 7.420 1.00 0.00 C ATOM 829 O GLN B 36 -2.248 -1.698 7.335 1.00 0.00 O ATOM 830 CB GLN B 36 -1.886 -4.221 9.550 1.00 0.00 C ATOM 831 CG GLN B 36 -2.336 -3.129 10.557 1.00 0.00 C ATOM 832 CD GLN B 36 -1.774 -1.705 10.409 1.00 0.00 C ATOM 833 OE1 GLN B 36 -2.495 -0.718 10.460 1.00 0.00 O ATOM 834 NE2 GLN B 36 -0.495 -1.542 10.180 1.00 0.00 N ATOM 0 H GLN B 36 -1.647 -5.979 7.921 1.00 0.00 H new ATOM 0 HA GLN B 36 -3.312 -3.686 8.005 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -2.321 -5.172 9.856 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -0.804 -4.329 9.619 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -3.423 -3.061 10.506 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -2.085 -3.480 11.558 1.00 0.00 H new ATOM 0 HE21 GLN B 36 0.122 -2.353 10.134 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -0.116 -0.604 10.048 1.00 0.00 H new ATOM 835 N ILE B 37 -0.331 -2.802 6.935 1.00 0.00 N ATOM 836 CA ILE B 37 0.308 -1.703 6.182 1.00 0.00 C ATOM 837 C ILE B 37 -0.172 -1.500 4.710 1.00 0.00 C ATOM 838 O ILE B 37 0.147 -0.466 4.178 1.00 0.00 O ATOM 839 CB ILE B 37 1.860 -1.873 6.309 1.00 0.00 C ATOM 840 CG1 ILE B 37 2.563 -0.507 6.506 1.00 0.00 C ATOM 841 CG2 ILE B 37 2.423 -2.672 5.101 1.00 0.00 C ATOM 842 CD1 ILE B 37 2.412 0.096 7.918 1.00 0.00 C ATOM 0 H ILE B 37 0.263 -3.623 7.051 1.00 0.00 H new ATOM 0 HA ILE B 37 -0.017 -0.768 6.638 1.00 0.00 H new ATOM 0 HB ILE B 37 2.074 -2.456 7.205 1.00 0.00 H new ATOM 0 HG12 ILE B 37 3.624 -0.625 6.287 1.00 0.00 H new ATOM 0 HG13 ILE B 37 2.164 0.200 5.779 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.502 -2.780 5.207 1.00 0.00 H new ATOM 0 HG22 ILE B 37 1.961 -3.659 5.070 1.00 0.00 H new ATOM 0 HG23 ILE B 37 2.201 -2.139 4.177 1.00 0.00 H new ATOM 0 HD11 ILE B 37 2.936 1.051 7.964 1.00 0.00 H new ATOM 0 HD12 ILE B 37 1.355 0.251 8.137 1.00 0.00 H new ATOM 0 HD13 ILE B 37 2.838 -0.587 8.653 1.00 0.00 H new ATOM 843 N VAL B 38 -0.702 -2.498 4.003 1.00 0.00 N ATOM 844 CA VAL B 38 -1.283 -2.430 2.627 1.00 0.00 C ATOM 845 C VAL B 38 -2.758 -1.892 2.664 1.00 0.00 C ATOM 846 O VAL B 38 -3.115 -0.974 1.924 1.00 0.00 O ATOM 847 CB VAL B 38 -1.256 -3.888 2.053 1.00 0.00 C ATOM 848 CG1 VAL B 38 -2.282 -4.412 1.036 1.00 0.00 C ATOM 849 CG2 VAL B 38 0.132 -4.201 1.465 1.00 0.00 C ATOM 0 H VAL B 38 -0.749 -3.443 4.384 1.00 0.00 H new ATOM 0 HA VAL B 38 -0.707 -1.746 2.003 1.00 0.00 H new ATOM 0 HB VAL B 38 -1.548 -4.408 2.965 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -2.054 -5.449 0.791 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -3.282 -4.352 1.464 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -2.238 -3.807 0.130 1.00 0.00 H new ATOM 0 HG21 VAL B 38 0.139 -5.217 1.069 1.00 0.00 H new ATOM 0 HG22 VAL B 38 0.354 -3.497 0.663 1.00 0.00 H new ATOM 0 HG23 VAL B 38 0.887 -4.111 2.246 1.00 0.00 H new ATOM 850 N GLN B 39 -3.616 -2.477 3.546 1.00 0.00 N ATOM 851 CA GLN B 39 -4.800 -1.821 4.127 1.00 0.00 C ATOM 852 C GLN B 39 -4.534 -0.362 4.607 1.00 0.00 C ATOM 853 O GLN B 39 -5.241 0.536 4.161 1.00 0.00 O ATOM 854 CB GLN B 39 -5.226 -2.783 5.279 1.00 0.00 C ATOM 855 CG GLN B 39 -6.713 -2.719 5.641 1.00 0.00 C ATOM 856 CD GLN B 39 -7.166 -3.791 6.642 1.00 0.00 C ATOM 857 OE1 GLN B 39 -7.578 -4.888 6.289 1.00 0.00 O ATOM 858 NE2 GLN B 39 -7.107 -3.542 7.921 1.00 0.00 N ATOM 0 H GLN B 39 -3.493 -3.435 3.873 1.00 0.00 H new ATOM 0 HA GLN B 39 -5.592 -1.679 3.391 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -4.978 -3.805 4.992 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -4.638 -2.549 6.167 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -6.932 -1.735 6.056 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -7.302 -2.818 4.729 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -6.768 -2.638 8.249 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -7.399 -4.252 8.593 1.00 0.00 H new ATOM 859 N ASP B 40 -3.441 -0.120 5.368 1.00 0.00 N ATOM 860 CA ASP B 40 -2.815 1.214 5.477 1.00 0.00 C ATOM 861 C ASP B 40 -2.444 1.906 4.137 1.00 0.00 C ATOM 862 O ASP B 40 -2.913 3.012 3.869 1.00 0.00 O ATOM 863 CB ASP B 40 -1.898 1.391 6.719 1.00 0.00 C ATOM 864 CG ASP B 40 -0.792 2.423 6.620 1.00 0.00 C ATOM 865 OD1 ASP B 40 -1.281 3.691 6.640 1.00 0.00 O ATOM 866 OD2 ASP B 40 0.390 2.137 6.489 1.00 0.00 O ATOM 0 H ASP B 40 -2.973 -0.840 5.919 1.00 0.00 H new ATOM 0 HA ASP B 40 -3.620 1.896 5.750 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -2.528 1.651 7.570 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -1.442 0.427 6.943 1.00 0.00 H new ATOM 867 N ALA B 41 -1.600 1.286 3.317 1.00 0.00 N ATOM 868 CA ALA B 41 -0.852 2.003 2.277 1.00 0.00 C ATOM 869 C ALA B 41 -1.684 2.596 1.105 1.00 0.00 C ATOM 870 O ALA B 41 -1.424 3.731 0.698 1.00 0.00 O ATOM 871 CB ALA B 41 0.356 1.135 1.881 1.00 0.00 C ATOM 0 H ALA B 41 -1.413 0.284 3.350 1.00 0.00 H new ATOM 0 HA ALA B 41 -0.489 2.940 2.700 1.00 0.00 H new ATOM 0 HB1 ALA B 41 0.932 1.644 1.108 1.00 0.00 H new ATOM 0 HB2 ALA B 41 0.987 0.970 2.754 1.00 0.00 H new ATOM 0 HB3 ALA B 41 0.006 0.176 1.500 1.00 0.00 H new ATOM 872 N LEU B 42 -2.730 1.884 0.659 1.00 0.00 N ATOM 873 CA LEU B 42 -3.859 2.523 -0.074 1.00 0.00 C ATOM 874 C LEU B 42 -5.073 3.081 0.730 1.00 0.00 C ATOM 875 O LEU B 42 -5.742 3.973 0.190 1.00 0.00 O ATOM 876 CB LEU B 42 -4.264 1.705 -1.337 1.00 0.00 C ATOM 877 CG LEU B 42 -4.631 0.198 -1.268 1.00 0.00 C ATOM 878 CD1 LEU B 42 -5.852 -0.104 -0.391 1.00 0.00 C ATOM 879 CD2 LEU B 42 -4.935 -0.341 -2.684 1.00 0.00 C ATOM 0 H LEU B 42 -2.828 0.877 0.786 1.00 0.00 H new ATOM 0 HA LEU B 42 -3.414 3.468 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -5.120 2.215 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.440 1.794 -2.045 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.764 -0.289 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -6.045 -1.177 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -5.658 0.228 0.629 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -6.722 0.422 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -5.191 -1.399 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -5.772 0.211 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.057 -0.216 -3.317 1.00 0.00 H new