USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=11 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= -2.81 (180deg=-2.98) USER MOD Set 1.2: B 30 MET CE :methyl -142:sc= -2.47 (180deg=-5.99!) USER MOD Set 2.1: A 32 SER OG : rot 46:sc= 1.22 USER MOD Set 2.2: A 36 GLN : amide:sc= 1.02 K(o=2.2,f=-1.3) USER MOD Set 3.1: A 11 MET CE :methyl 155:sc= -3.27 (180deg=-5.65!) USER MOD Set 3.2: A 30 MET CE :methyl -150:sc= -4.14 (180deg=-8.01!) USER MOD Single : A 6 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=-0.34) USER MOD Single : A 8 ASN : amide:sc=-0.00995 X(o=-0.01,f=0) USER MOD Single : A 13 MET CE :methyl -146:sc= -0.0815 (180deg=-1.08) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.186 K(o=-0.19,f=-0.78) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : B 6 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : B 13 MET CE :methyl -157:sc= -0.342 (180deg=-1.74) USER MOD Single : B 18 LYS NZ :NH3+ -148:sc= 0.698 (180deg=0.236) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.48) USER MOD Single : B 29 SER OG : rot 60:sc= 1.01 USER MOD Single : B 31 ASN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 36 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.17) USER MOD Single : B 39 GLN : amide:sc= -0.0131 K(o=-0.013,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 4 14.020 -13.189 -6.034 1.00 0.00 N ATOM 26 CA ASP A 4 12.615 -12.705 -5.998 1.00 0.00 C ATOM 27 C ASP A 4 11.626 -13.690 -5.279 1.00 0.00 C ATOM 28 O ASP A 4 10.773 -14.285 -5.942 1.00 0.00 O ATOM 29 CB ASP A 4 12.179 -12.214 -7.404 1.00 0.00 C ATOM 30 CG ASP A 4 12.029 -13.237 -8.533 1.00 0.00 C ATOM 31 OD1 ASP A 4 12.591 -14.329 -8.577 1.00 0.00 O ATOM 32 OD2 ASP A 4 11.202 -12.783 -9.510 1.00 0.00 O ATOM 0 HA ASP A 4 12.568 -11.831 -5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.222 -11.704 -7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.902 -11.467 -7.731 1.00 0.00 H new ATOM 33 N PRO A 5 11.699 -13.922 -3.934 1.00 0.00 N ATOM 34 CA PRO A 5 11.147 -15.154 -3.319 1.00 0.00 C ATOM 35 C PRO A 5 9.874 -14.888 -2.464 1.00 0.00 C ATOM 36 O PRO A 5 9.389 -13.757 -2.334 1.00 0.00 O ATOM 37 CB PRO A 5 12.383 -15.675 -2.539 1.00 0.00 C ATOM 38 CG PRO A 5 13.490 -14.638 -2.776 1.00 0.00 C ATOM 39 CD PRO A 5 12.728 -13.356 -3.048 1.00 0.00 C ATOM 0 HA PRO A 5 10.759 -15.890 -4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.162 -15.776 -1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.685 -16.659 -2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.140 -14.541 -1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.124 -14.914 -3.619 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.314 -12.907 -2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.336 -12.593 -3.534 1.00 0.00 H new ATOM 40 N HIS A 6 9.247 -15.974 -1.991 1.00 0.00 N ATOM 41 CA HIS A 6 7.765 -15.990 -1.884 1.00 0.00 C ATOM 42 C HIS A 6 7.125 -16.724 -0.674 1.00 0.00 C ATOM 43 O HIS A 6 7.606 -17.742 -0.171 1.00 0.00 O ATOM 44 CB HIS A 6 7.210 -16.349 -3.272 1.00 0.00 C ATOM 45 CG HIS A 6 7.235 -17.768 -3.786 1.00 0.00 C ATOM 46 ND1 HIS A 6 7.813 -18.101 -4.998 1.00 0.00 N ATOM 47 CD2 HIS A 6 6.111 -18.539 -3.536 1.00 0.00 C ATOM 48 CE1 HIS A 6 6.931 -19.061 -5.407 1.00 0.00 C ATOM 49 NE2 HIS A 6 5.895 -19.428 -4.581 1.00 0.00 N ATOM 0 H HIS A 6 9.713 -16.828 -1.684 1.00 0.00 H new ATOM 0 HA HIS A 6 7.442 -14.988 -1.602 1.00 0.00 H new ATOM 0 HB2 HIS A 6 6.170 -16.023 -3.292 1.00 0.00 H new ATOM 0 HB3 HIS A 6 7.750 -15.739 -3.997 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.492 -18.460 -2.655 1.00 0.00 H new ATOM 0 HE1 HIS A 6 7.047 -19.529 -6.373 1.00 0.00 H new ATOM 0 HE2 HIS A 6 5.178 -20.143 -4.701 1.00 0.00 H new ATOM 50 N PHE A 7 5.973 -16.184 -0.263 1.00 0.00 N ATOM 51 CA PHE A 7 5.052 -16.816 0.702 1.00 0.00 C ATOM 52 C PHE A 7 3.600 -16.761 0.131 1.00 0.00 C ATOM 53 O PHE A 7 3.270 -15.995 -0.786 1.00 0.00 O ATOM 54 CB PHE A 7 5.242 -16.126 2.087 1.00 0.00 C ATOM 55 CG PHE A 7 4.735 -14.676 2.280 1.00 0.00 C ATOM 56 CD1 PHE A 7 5.426 -13.553 1.787 1.00 0.00 C ATOM 57 CD2 PHE A 7 3.557 -14.471 3.007 1.00 0.00 C ATOM 58 CE1 PHE A 7 4.966 -12.268 2.050 1.00 0.00 C ATOM 59 CE2 PHE A 7 3.096 -13.193 3.237 1.00 0.00 C ATOM 60 CZ PHE A 7 3.817 -12.101 2.823 1.00 0.00 C ATOM 0 H PHE A 7 5.643 -15.278 -0.595 1.00 0.00 H new ATOM 0 HA PHE A 7 5.267 -17.874 0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 7 4.751 -16.748 2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.308 -16.135 2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.321 -13.691 1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 7 3.007 -15.318 3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.492 -11.409 1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.156 -13.049 3.749 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.493 -11.108 3.097 1.00 0.00 H new ATOM 61 N ASN A 8 2.674 -17.525 0.720 1.00 0.00 N ATOM 62 CA ASN A 8 1.230 -17.255 0.504 1.00 0.00 C ATOM 63 C ASN A 8 0.775 -15.989 1.300 1.00 0.00 C ATOM 64 O ASN A 8 0.431 -16.069 2.483 1.00 0.00 O ATOM 65 CB ASN A 8 0.385 -18.512 0.824 1.00 0.00 C ATOM 66 CG ASN A 8 0.430 -19.606 -0.240 1.00 0.00 C ATOM 67 OD1 ASN A 8 1.252 -20.512 -0.212 1.00 0.00 O ATOM 68 ND2 ASN A 8 -0.426 -19.542 -1.228 1.00 0.00 N ATOM 0 H ASN A 8 2.878 -18.314 1.333 1.00 0.00 H new ATOM 0 HA ASN A 8 1.064 -17.030 -0.550 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.728 -18.931 1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.652 -18.208 0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.405 -20.244 -1.967 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.114 -18.790 -1.259 1.00 0.00 H new ATOM 69 N PHE A 9 0.698 -14.823 0.625 1.00 0.00 N ATOM 70 CA PHE A 9 -0.314 -13.812 0.977 1.00 0.00 C ATOM 71 C PHE A 9 -1.741 -14.324 0.576 1.00 0.00 C ATOM 72 O PHE A 9 -1.956 -15.377 -0.021 1.00 0.00 O ATOM 73 CB PHE A 9 0.197 -12.452 0.420 1.00 0.00 C ATOM 74 CG PHE A 9 -0.271 -11.232 1.220 1.00 0.00 C ATOM 75 CD1 PHE A 9 0.036 -11.105 2.578 1.00 0.00 C ATOM 76 CD2 PHE A 9 -0.905 -10.165 0.590 1.00 0.00 C ATOM 77 CE1 PHE A 9 -0.345 -9.985 3.291 1.00 0.00 C ATOM 78 CE2 PHE A 9 -1.353 -9.068 1.308 1.00 0.00 C ATOM 79 CZ PHE A 9 -0.992 -8.959 2.634 1.00 0.00 C ATOM 0 H PHE A 9 1.310 -14.564 -0.149 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.446 -13.638 2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.287 -12.465 0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.137 -12.346 -0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.579 -11.894 3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.051 -10.193 -0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.139 -9.914 4.349 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.971 -8.316 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.221 -8.050 3.170 1.00 0.00 H new ATOM 80 N ARG A 10 -2.718 -13.750 1.235 1.00 0.00 N ATOM 81 CA ARG A 10 -3.743 -14.515 2.022 1.00 0.00 C ATOM 82 C ARG A 10 -4.536 -13.478 2.857 1.00 0.00 C ATOM 83 O ARG A 10 -4.146 -13.106 3.969 1.00 0.00 O ATOM 84 CB ARG A 10 -3.137 -15.704 2.824 1.00 0.00 C ATOM 85 CG ARG A 10 -3.997 -16.420 3.874 1.00 0.00 C ATOM 86 CD ARG A 10 -5.431 -16.845 3.525 1.00 0.00 C ATOM 87 NE ARG A 10 -5.907 -17.671 4.676 1.00 0.00 N ATOM 88 CZ ARG A 10 -6.911 -18.538 4.666 1.00 0.00 C ATOM 89 NH1 ARG A 10 -7.706 -18.738 3.667 1.00 0.00 N ATOM 90 NH2 ARG A 10 -7.107 -19.230 5.730 1.00 0.00 N ATOM 0 H ARG A 10 -2.854 -12.739 1.261 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.440 -15.032 1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.811 -16.453 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.243 -15.337 3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.458 -17.316 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.054 -15.769 4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.071 -15.975 3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.454 -17.418 2.598 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.409 -17.556 5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.584 -18.208 2.804 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.456 -19.426 3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.501 -19.102 6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.868 -19.908 5.764 1.00 0.00 H new ATOM 91 N MET A 11 -5.588 -12.921 2.251 1.00 0.00 N ATOM 92 CA MET A 11 -6.007 -11.529 2.578 1.00 0.00 C ATOM 93 C MET A 11 -7.567 -11.379 2.731 1.00 0.00 C ATOM 94 O MET A 11 -8.263 -11.696 1.762 1.00 0.00 O ATOM 95 CB MET A 11 -5.324 -10.559 1.564 1.00 0.00 C ATOM 96 CG MET A 11 -5.580 -10.751 0.060 1.00 0.00 C ATOM 97 SD MET A 11 -4.491 -11.987 -0.678 1.00 0.00 S ATOM 98 CE MET A 11 -3.238 -10.912 -1.389 1.00 0.00 C ATOM 0 H MET A 11 -6.161 -13.387 1.547 1.00 0.00 H new ATOM 0 HA MET A 11 -5.657 -11.249 3.572 1.00 0.00 H new ATOM 0 HB2 MET A 11 -5.629 -9.545 1.823 1.00 0.00 H new ATOM 0 HB3 MET A 11 -4.248 -10.619 1.725 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.617 -11.049 -0.093 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.443 -9.799 -0.453 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.301 -11.460 -1.485 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.564 -10.575 -2.373 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.089 -10.049 -0.740 1.00 0.00 H new ATOM 99 N PRO A 12 -8.179 -10.920 3.878 1.00 0.00 N ATOM 100 CA PRO A 12 -9.664 -10.776 4.033 1.00 0.00 C ATOM 101 C PRO A 12 -10.487 -10.164 2.865 1.00 0.00 C ATOM 102 O PRO A 12 -9.955 -9.371 2.086 1.00 0.00 O ATOM 103 CB PRO A 12 -9.779 -9.987 5.351 1.00 0.00 C ATOM 104 CG PRO A 12 -8.560 -10.421 6.164 1.00 0.00 C ATOM 105 CD PRO A 12 -7.455 -10.614 5.127 1.00 0.00 C ATOM 0 HA PRO A 12 -10.133 -11.760 4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.774 -8.912 5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.707 -10.219 5.873 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.285 -9.666 6.900 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.756 -11.343 6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.845 -9.717 5.024 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.784 -11.426 5.407 1.00 0.00 H new ATOM 106 N MET A 13 -11.767 -10.551 2.716 1.00 0.00 N ATOM 107 CA MET A 13 -12.546 -10.273 1.466 1.00 0.00 C ATOM 108 C MET A 13 -12.564 -8.805 0.923 1.00 0.00 C ATOM 109 O MET A 13 -12.401 -8.609 -0.282 1.00 0.00 O ATOM 110 CB MET A 13 -13.980 -10.845 1.611 1.00 0.00 C ATOM 111 CG MET A 13 -14.722 -11.134 0.281 1.00 0.00 C ATOM 112 SD MET A 13 -14.528 -12.842 -0.291 1.00 0.00 S ATOM 113 CE MET A 13 -12.858 -12.868 -0.969 1.00 0.00 C ATOM 0 H MET A 13 -12.292 -11.054 3.431 1.00 0.00 H new ATOM 0 HA MET A 13 -11.986 -10.788 0.686 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.927 -11.770 2.185 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.575 -10.142 2.193 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.783 -10.920 0.411 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.352 -10.456 -0.488 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.822 -13.547 -1.821 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.581 -11.865 -1.292 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.160 -13.208 -0.204 1.00 0.00 H new ATOM 114 N GLU A 14 -12.665 -7.786 1.793 1.00 0.00 N ATOM 115 CA GLU A 14 -12.372 -6.383 1.396 1.00 0.00 C ATOM 116 C GLU A 14 -10.903 -6.081 0.953 1.00 0.00 C ATOM 117 O GLU A 14 -10.754 -5.412 -0.056 1.00 0.00 O ATOM 118 CB GLU A 14 -12.934 -5.393 2.453 1.00 0.00 C ATOM 119 CG GLU A 14 -12.097 -5.228 3.749 1.00 0.00 C ATOM 120 CD GLU A 14 -12.747 -4.359 4.819 1.00 0.00 C ATOM 121 OE1 GLU A 14 -12.567 -3.031 4.590 1.00 0.00 O ATOM 122 OE2 GLU A 14 -13.357 -4.806 5.783 1.00 0.00 O ATOM 0 H GLU A 14 -12.944 -7.897 2.768 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.908 -6.224 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.038 -4.414 1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.936 -5.721 2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.904 -6.215 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.130 -4.798 3.489 1.00 0.00 H new ATOM 123 N VAL A 15 -9.827 -6.558 1.607 1.00 0.00 N ATOM 124 CA VAL A 15 -8.426 -6.407 1.092 1.00 0.00 C ATOM 125 C VAL A 15 -8.226 -7.068 -0.285 1.00 0.00 C ATOM 126 O VAL A 15 -7.661 -6.410 -1.146 1.00 0.00 O ATOM 127 CB VAL A 15 -7.326 -6.999 2.042 1.00 0.00 C ATOM 128 CG1 VAL A 15 -6.003 -6.231 1.904 1.00 0.00 C ATOM 129 CG2 VAL A 15 -7.642 -7.079 3.550 1.00 0.00 C ATOM 0 H VAL A 15 -9.887 -7.054 2.496 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.303 -5.326 1.027 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.271 -8.029 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.260 -6.663 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.648 -6.299 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.161 -5.184 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.790 -7.508 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.840 -6.078 3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.519 -7.707 3.705 1.00 0.00 H new ATOM 130 N ARG A 16 -8.637 -8.326 -0.518 1.00 0.00 N ATOM 131 CA ARG A 16 -8.552 -8.888 -1.875 1.00 0.00 C ATOM 132 C ARG A 16 -9.522 -8.293 -2.907 1.00 0.00 C ATOM 133 O ARG A 16 -9.052 -8.020 -3.998 1.00 0.00 O ATOM 134 CB ARG A 16 -8.567 -10.423 -1.935 1.00 0.00 C ATOM 135 CG ARG A 16 -7.462 -10.875 -2.920 1.00 0.00 C ATOM 136 CD ARG A 16 -7.726 -12.235 -3.492 1.00 0.00 C ATOM 137 NE ARG A 16 -6.631 -12.607 -4.418 1.00 0.00 N ATOM 138 CZ ARG A 16 -6.677 -13.639 -5.258 1.00 0.00 C ATOM 139 NH1 ARG A 16 -7.644 -14.509 -5.301 1.00 0.00 N ATOM 140 NH2 ARG A 16 -5.715 -13.781 -6.097 1.00 0.00 N ATOM 0 H ARG A 16 -9.019 -8.954 0.189 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.557 -8.561 -2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.391 -10.845 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.542 -10.782 -2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.385 -10.152 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.501 -10.881 -2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.802 -12.969 -2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.679 -12.239 -4.020 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.786 -12.035 -4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.435 -14.424 -4.663 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.611 -15.276 -5.973 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.944 -13.113 -6.107 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.722 -14.562 -6.753 1.00 0.00 H new ATOM 141 N GLU A 17 -10.799 -8.004 -2.633 1.00 0.00 N ATOM 142 CA GLU A 17 -11.577 -7.158 -3.576 1.00 0.00 C ATOM 143 C GLU A 17 -10.997 -5.719 -3.782 1.00 0.00 C ATOM 144 O GLU A 17 -10.977 -5.259 -4.914 1.00 0.00 O ATOM 145 CB GLU A 17 -13.062 -7.090 -3.191 1.00 0.00 C ATOM 146 CG GLU A 17 -13.853 -8.414 -3.336 1.00 0.00 C ATOM 147 CD GLU A 17 -15.347 -8.270 -3.076 1.00 0.00 C ATOM 148 OE1 GLU A 17 -15.983 -7.659 -4.116 1.00 0.00 O ATOM 149 OE2 GLU A 17 -15.902 -8.662 -2.055 1.00 0.00 O ATOM 0 H GLU A 17 -11.307 -8.321 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.484 -7.662 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.136 -6.755 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.544 -6.331 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.705 -8.806 -4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.443 -9.149 -2.644 1.00 0.00 H new ATOM 150 N LYS A 18 -10.456 -5.034 -2.762 1.00 0.00 N ATOM 151 CA LYS A 18 -9.647 -3.809 -2.954 1.00 0.00 C ATOM 152 C LYS A 18 -8.331 -4.023 -3.771 1.00 0.00 C ATOM 153 O LYS A 18 -8.228 -3.489 -4.868 1.00 0.00 O ATOM 154 CB LYS A 18 -9.477 -3.080 -1.613 1.00 0.00 C ATOM 155 CG LYS A 18 -10.720 -2.462 -0.916 1.00 0.00 C ATOM 156 CD LYS A 18 -10.438 -1.783 0.449 1.00 0.00 C ATOM 157 CE LYS A 18 -9.741 -2.643 1.515 1.00 0.00 C ATOM 158 NZ LYS A 18 -9.542 -1.865 2.749 1.00 0.00 N ATOM 0 H LYS A 18 -10.563 -5.307 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.202 -3.139 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.026 -3.784 -0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.756 -2.277 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.164 -1.726 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.462 -3.247 -0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.825 -0.900 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.386 -1.435 0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.341 -3.528 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.780 -2.993 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.070 -2.458 3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.951 -1.034 2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.464 -1.553 3.115 1.00 0.00 H new ATOM 159 N LEU A 19 -7.370 -4.828 -3.304 1.00 0.00 N ATOM 160 CA LEU A 19 -6.109 -5.175 -4.019 1.00 0.00 C ATOM 161 C LEU A 19 -6.282 -5.819 -5.432 1.00 0.00 C ATOM 162 O LEU A 19 -5.505 -5.518 -6.339 1.00 0.00 O ATOM 163 CB LEU A 19 -5.295 -5.972 -2.960 1.00 0.00 C ATOM 164 CG LEU A 19 -3.757 -6.053 -3.022 1.00 0.00 C ATOM 165 CD1 LEU A 19 -2.993 -4.718 -2.950 1.00 0.00 C ATOM 166 CD2 LEU A 19 -3.356 -6.980 -1.847 1.00 0.00 C ATOM 0 H LEU A 19 -7.438 -5.277 -2.390 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.557 -4.294 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.552 -5.557 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.667 -6.996 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.474 -6.427 -4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.921 -4.909 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.290 -4.083 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.226 -4.216 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.272 -7.089 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.698 -6.546 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.816 -7.959 -1.983 1.00 0.00 H new ATOM 167 N LYS A 20 -7.312 -6.661 -5.627 1.00 0.00 N ATOM 168 CA LYS A 20 -7.626 -7.332 -6.893 1.00 0.00 C ATOM 169 C LYS A 20 -8.579 -6.513 -7.831 1.00 0.00 C ATOM 170 O LYS A 20 -8.480 -6.692 -9.039 1.00 0.00 O ATOM 171 CB LYS A 20 -8.215 -8.727 -6.607 1.00 0.00 C ATOM 172 CG LYS A 20 -8.105 -9.747 -7.752 1.00 0.00 C ATOM 173 CD LYS A 20 -8.727 -11.134 -7.467 1.00 0.00 C ATOM 174 CE LYS A 20 -9.956 -11.168 -6.544 1.00 0.00 C ATOM 175 NZ LYS A 20 -10.499 -12.538 -6.483 1.00 0.00 N ATOM 0 H LYS A 20 -7.967 -6.898 -4.882 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.687 -7.422 -7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.716 -9.139 -5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.268 -8.610 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.584 -9.328 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.051 -9.883 -7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.006 -11.583 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.956 -11.768 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.681 -10.832 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.718 -10.481 -6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.330 -12.555 -5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.778 -12.844 -7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.773 -13.183 -6.111 1.00 0.00 H new ATOM 176 N PHE A 21 -9.480 -5.624 -7.343 1.00 0.00 N ATOM 177 CA PHE A 21 -10.025 -4.500 -8.160 1.00 0.00 C ATOM 178 C PHE A 21 -8.929 -3.508 -8.519 1.00 0.00 C ATOM 179 O PHE A 21 -8.560 -3.546 -9.668 1.00 0.00 O ATOM 180 CB PHE A 21 -11.196 -3.719 -7.509 1.00 0.00 C ATOM 181 CG PHE A 21 -12.543 -4.404 -7.430 1.00 0.00 C ATOM 182 CD1 PHE A 21 -12.964 -5.380 -8.334 1.00 0.00 C ATOM 183 CD2 PHE A 21 -13.366 -4.038 -6.371 1.00 0.00 C ATOM 184 CE1 PHE A 21 -14.150 -6.056 -8.116 1.00 0.00 C ATOM 185 CE2 PHE A 21 -14.554 -4.709 -6.150 1.00 0.00 C ATOM 186 CZ PHE A 21 -14.956 -5.729 -7.020 1.00 0.00 C ATOM 0 H PHE A 21 -9.846 -5.660 -6.392 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.426 -4.989 -9.048 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.897 -3.450 -6.496 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.325 -2.788 -8.061 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.364 -5.607 -9.203 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.076 -3.227 -5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.455 -6.839 -8.794 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.173 -4.446 -5.305 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.881 -6.259 -6.847 1.00 0.00 H new ATOM 187 N ARG A 22 -8.340 -2.684 -7.653 1.00 0.00 N ATOM 188 CA ARG A 22 -7.048 -1.974 -7.927 1.00 0.00 C ATOM 189 C ARG A 22 -6.113 -2.666 -9.025 1.00 0.00 C ATOM 190 O ARG A 22 -5.917 -2.082 -10.090 1.00 0.00 O ATOM 191 CB ARG A 22 -6.521 -1.632 -6.492 1.00 0.00 C ATOM 192 CG ARG A 22 -5.869 -0.258 -6.243 1.00 0.00 C ATOM 193 CD ARG A 22 -4.379 -0.190 -6.561 1.00 0.00 C ATOM 194 NE ARG A 22 -3.769 1.067 -6.062 1.00 0.00 N ATOM 195 CZ ARG A 22 -3.881 2.283 -6.579 1.00 0.00 C ATOM 196 NH1 ARG A 22 -4.607 2.575 -7.613 1.00 0.00 N ATOM 197 NH2 ARG A 22 -3.231 3.229 -6.000 1.00 0.00 N ATOM 0 H ARG A 22 -8.730 -2.476 -6.734 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.128 -1.042 -8.486 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.359 -1.728 -5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.793 -2.396 -6.218 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.389 0.489 -6.843 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.016 0.014 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.872 -1.044 -6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.233 -0.263 -7.639 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.196 0.986 -5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.141 1.844 -8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.645 3.535 -7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.660 3.027 -5.179 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.286 4.181 -6.362 1.00 0.00 H new ATOM 198 N ALA A 23 -5.869 -4.003 -8.954 1.00 0.00 N ATOM 199 CA ALA A 23 -5.463 -4.832 -10.128 1.00 0.00 C ATOM 200 C ALA A 23 -6.435 -4.857 -11.382 1.00 0.00 C ATOM 201 O ALA A 23 -6.158 -4.191 -12.379 1.00 0.00 O ATOM 202 CB ALA A 23 -5.046 -6.212 -9.549 1.00 0.00 C ATOM 0 H ALA A 23 -5.947 -4.536 -8.088 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.622 -4.355 -10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.736 -6.869 -10.362 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.217 -6.079 -8.854 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.892 -6.657 -9.025 1.00 0.00 H new ATOM 203 N GLU A 24 -7.556 -5.593 -11.354 1.00 0.00 N ATOM 204 CA GLU A 24 -8.563 -5.684 -12.466 1.00 0.00 C ATOM 205 C GLU A 24 -9.351 -4.386 -12.890 1.00 0.00 C ATOM 206 O GLU A 24 -9.493 -4.114 -14.082 1.00 0.00 O ATOM 207 CB GLU A 24 -9.564 -6.833 -12.136 1.00 0.00 C ATOM 208 CG GLU A 24 -8.961 -8.258 -12.017 1.00 0.00 C ATOM 209 CD GLU A 24 -9.977 -9.372 -11.782 1.00 0.00 C ATOM 210 OE1 GLU A 24 -10.754 -9.592 -12.880 1.00 0.00 O ATOM 211 OE2 GLU A 24 -10.067 -10.001 -10.733 1.00 0.00 O ATOM 0 H GLU A 24 -7.810 -6.162 -10.546 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.953 -5.874 -13.349 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.063 -6.593 -11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.332 -6.850 -12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.407 -8.479 -12.929 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.242 -8.264 -11.198 1.00 0.00 H new ATOM 229 N ARG A 28 -3.683 -4.198 -13.878 1.00 0.00 N ATOM 230 CA ARG A 28 -2.536 -4.956 -13.304 1.00 0.00 C ATOM 231 C ARG A 28 -3.109 -6.334 -12.820 1.00 0.00 C ATOM 232 O ARG A 28 -4.320 -6.537 -12.677 1.00 0.00 O ATOM 233 CB ARG A 28 -1.882 -4.030 -12.246 1.00 0.00 C ATOM 234 CG ARG A 28 -0.895 -2.979 -12.819 1.00 0.00 C ATOM 235 CD ARG A 28 -0.514 -1.819 -11.869 1.00 0.00 C ATOM 236 NE ARG A 28 -1.494 -0.721 -11.831 1.00 0.00 N ATOM 237 CZ ARG A 28 -1.643 0.222 -12.766 1.00 0.00 C ATOM 238 NH1 ARG A 28 -1.042 0.219 -13.918 1.00 0.00 N ATOM 239 NH2 ARG A 28 -2.422 1.211 -12.510 1.00 0.00 N ATOM 0 HA ARG A 28 -1.729 -5.214 -13.989 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.671 -3.509 -11.704 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.352 -4.648 -11.522 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.019 -3.493 -13.118 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.332 -2.554 -13.723 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.391 -2.216 -10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.452 -1.418 -12.174 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.113 -0.676 -11.021 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.405 -0.540 -14.159 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.207 0.976 -14.581 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.906 1.260 -11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.557 1.947 -13.203 1.00 0.00 H new ATOM 240 N SER A 29 -2.259 -7.344 -12.622 1.00 0.00 N ATOM 241 CA SER A 29 -2.739 -8.705 -12.209 1.00 0.00 C ATOM 242 C SER A 29 -2.068 -8.981 -10.855 1.00 0.00 C ATOM 243 O SER A 29 -0.849 -8.940 -10.832 1.00 0.00 O ATOM 244 CB SER A 29 -2.372 -9.719 -13.314 1.00 0.00 C ATOM 245 OG SER A 29 -2.855 -11.020 -12.973 1.00 0.00 O ATOM 0 H SER A 29 -1.248 -7.269 -12.733 1.00 0.00 H new ATOM 0 HA SER A 29 -3.820 -8.781 -12.090 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.801 -9.402 -14.265 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.290 -9.748 -13.446 1.00 0.00 H new ATOM 0 HG SER A 29 -2.618 -11.653 -13.682 1.00 0.00 H new ATOM 246 N MET A 30 -2.762 -9.110 -9.713 1.00 0.00 N ATOM 247 CA MET A 30 -2.209 -8.648 -8.397 1.00 0.00 C ATOM 248 C MET A 30 -0.722 -8.965 -8.045 1.00 0.00 C ATOM 249 O MET A 30 -0.060 -8.062 -7.579 1.00 0.00 O ATOM 250 CB MET A 30 -3.013 -9.172 -7.207 1.00 0.00 C ATOM 251 CG MET A 30 -4.441 -8.743 -7.035 1.00 0.00 C ATOM 252 SD MET A 30 -5.238 -9.933 -5.943 1.00 0.00 S ATOM 253 CE MET A 30 -5.152 -8.963 -4.444 1.00 0.00 C ATOM 0 H MET A 30 -3.694 -9.521 -9.657 1.00 0.00 H new ATOM 0 HA MET A 30 -2.282 -7.572 -8.557 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.003 -10.261 -7.260 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.476 -8.892 -6.301 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.491 -7.740 -6.611 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.949 -8.707 -7.999 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.080 -9.628 -3.584 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.274 -8.317 -4.478 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.050 -8.351 -4.355 1.00 0.00 H new ATOM 254 N ASN A 31 -0.091 -10.119 -8.290 1.00 0.00 N ATOM 255 CA ASN A 31 1.408 -10.177 -8.242 1.00 0.00 C ATOM 256 C ASN A 31 2.165 -8.991 -9.005 1.00 0.00 C ATOM 257 O ASN A 31 2.959 -8.301 -8.372 1.00 0.00 O ATOM 258 CB ASN A 31 1.878 -11.616 -8.584 1.00 0.00 C ATOM 259 CG ASN A 31 3.312 -12.044 -8.244 1.00 0.00 C ATOM 260 OD1 ASN A 31 3.795 -13.052 -8.741 1.00 0.00 O ATOM 261 ND2 ASN A 31 4.032 -11.360 -7.391 1.00 0.00 N ATOM 0 H ASN A 31 -0.553 -11.000 -8.516 1.00 0.00 H new ATOM 0 HA ASN A 31 1.721 -9.970 -7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.203 -12.308 -8.081 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.740 -11.758 -9.656 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.974 -11.671 -7.154 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.651 -10.516 -6.963 1.00 0.00 H new ATOM 262 N SER A 32 1.744 -8.621 -10.233 1.00 0.00 N ATOM 263 CA SER A 32 1.742 -7.201 -10.725 1.00 0.00 C ATOM 264 C SER A 32 1.113 -6.096 -9.807 1.00 0.00 C ATOM 265 O SER A 32 1.901 -5.358 -9.219 1.00 0.00 O ATOM 266 CB SER A 32 1.354 -7.167 -12.226 1.00 0.00 C ATOM 267 OG SER A 32 1.155 -5.837 -12.717 1.00 0.00 O ATOM 0 H SER A 32 1.394 -9.288 -10.921 1.00 0.00 H new ATOM 0 HA SER A 32 2.772 -6.855 -10.638 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.136 -7.652 -12.810 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.441 -7.745 -12.374 1.00 0.00 H new ATOM 0 HG SER A 32 1.884 -5.261 -12.406 1.00 0.00 H new ATOM 268 N GLU A 33 -0.214 -5.916 -9.636 1.00 0.00 N ATOM 269 CA GLU A 33 -0.727 -4.725 -8.850 1.00 0.00 C ATOM 270 C GLU A 33 -0.273 -4.635 -7.368 1.00 0.00 C ATOM 271 O GLU A 33 0.188 -3.586 -6.942 1.00 0.00 O ATOM 272 CB GLU A 33 -2.246 -4.613 -8.702 1.00 0.00 C ATOM 273 CG GLU A 33 -2.724 -3.231 -8.133 1.00 0.00 C ATOM 274 CD GLU A 33 -2.344 -1.990 -8.902 1.00 0.00 C ATOM 275 OE1 GLU A 33 -3.127 -1.812 -9.987 1.00 0.00 O ATOM 276 OE2 GLU A 33 -1.387 -1.279 -8.621 1.00 0.00 O ATOM 0 H GLU A 33 -0.936 -6.536 -10.004 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.297 -3.948 -9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.710 -4.775 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.598 -5.408 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.811 -3.258 -8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.333 -3.131 -7.120 1.00 0.00 H new ATOM 277 N LEU A 34 -0.518 -5.699 -6.568 1.00 0.00 N ATOM 278 CA LEU A 34 0.064 -5.896 -5.232 1.00 0.00 C ATOM 279 C LEU A 34 1.546 -5.443 -5.275 1.00 0.00 C ATOM 280 O LEU A 34 1.837 -4.514 -4.546 1.00 0.00 O ATOM 281 CB LEU A 34 -0.136 -7.377 -4.791 1.00 0.00 C ATOM 282 CG LEU A 34 -0.521 -7.728 -3.339 1.00 0.00 C ATOM 283 CD1 LEU A 34 -0.251 -9.182 -2.933 1.00 0.00 C ATOM 284 CD2 LEU A 34 0.073 -6.887 -2.196 1.00 0.00 C ATOM 0 H LEU A 34 -1.141 -6.458 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.435 -5.290 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.905 -7.801 -5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.792 -7.904 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.583 -7.500 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.554 -9.333 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.820 -9.852 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.813 -9.397 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.295 -7.261 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.160 -6.958 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.225 -5.846 -2.318 1.00 0.00 H new ATOM 285 N LEU A 35 2.449 -5.919 -6.183 1.00 0.00 N ATOM 286 CA LEU A 35 3.820 -5.348 -6.232 1.00 0.00 C ATOM 287 C LEU A 35 3.912 -3.848 -6.558 1.00 0.00 C ATOM 288 O LEU A 35 4.622 -3.118 -5.878 1.00 0.00 O ATOM 289 CB LEU A 35 4.777 -6.102 -7.181 1.00 0.00 C ATOM 290 CG LEU A 35 5.453 -7.355 -6.608 1.00 0.00 C ATOM 291 CD1 LEU A 35 6.476 -7.823 -7.633 1.00 0.00 C ATOM 292 CD2 LEU A 35 6.177 -7.025 -5.286 1.00 0.00 C ATOM 0 H LEU A 35 2.262 -6.660 -6.858 1.00 0.00 H new ATOM 0 HA LEU A 35 4.137 -5.482 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.219 -6.391 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.555 -5.410 -7.503 1.00 0.00 H new ATOM 0 HG LEU A 35 4.707 -8.124 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.981 -8.715 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.971 -8.055 -8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.210 -7.035 -7.801 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.650 -7.926 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.937 -6.265 -5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.456 -6.650 -4.560 1.00 0.00 H new ATOM 293 N GLN A 36 3.199 -3.403 -7.583 1.00 0.00 N ATOM 294 CA GLN A 36 3.158 -1.975 -7.965 1.00 0.00 C ATOM 295 C GLN A 36 2.633 -1.038 -6.859 1.00 0.00 C ATOM 296 O GLN A 36 3.303 -0.038 -6.618 1.00 0.00 O ATOM 297 CB GLN A 36 2.381 -1.795 -9.303 1.00 0.00 C ATOM 298 CG GLN A 36 3.204 -2.003 -10.596 1.00 0.00 C ATOM 299 CD GLN A 36 3.553 -3.439 -10.968 1.00 0.00 C ATOM 300 OE1 GLN A 36 2.993 -4.060 -11.869 1.00 0.00 O ATOM 301 NE2 GLN A 36 4.469 -4.021 -10.246 1.00 0.00 N ATOM 0 H GLN A 36 2.632 -4.007 -8.178 1.00 0.00 H new ATOM 0 HA GLN A 36 4.193 -1.666 -8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.544 -2.494 -9.312 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.958 -0.791 -9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.650 -1.563 -11.425 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.134 -1.442 -10.500 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.933 -3.505 -9.499 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.721 -4.992 -10.429 1.00 0.00 H new ATOM 302 N ILE A 37 1.543 -1.358 -6.146 1.00 0.00 N ATOM 303 CA ILE A 37 1.193 -0.645 -4.898 1.00 0.00 C ATOM 304 C ILE A 37 2.146 -0.925 -3.699 1.00 0.00 C ATOM 305 O ILE A 37 2.195 -0.054 -2.877 1.00 0.00 O ATOM 306 CB ILE A 37 -0.310 -0.882 -4.506 1.00 0.00 C ATOM 307 CG1 ILE A 37 -0.903 0.325 -3.723 1.00 0.00 C ATOM 308 CG2 ILE A 37 -0.471 -2.209 -3.730 1.00 0.00 C ATOM 309 CD1 ILE A 37 -2.331 0.154 -3.178 1.00 0.00 C ATOM 0 H ILE A 37 0.891 -2.098 -6.405 1.00 0.00 H new ATOM 0 HA ILE A 37 1.333 0.411 -5.127 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.885 -0.965 -5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.242 0.546 -2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.890 1.196 -4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.519 -2.353 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.135 -3.038 -4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.128 -2.173 -2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.631 1.061 -2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.017 -0.030 -4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.359 -0.690 -2.489 1.00 0.00 H new ATOM 310 N VAL A 38 2.760 -2.094 -3.501 1.00 0.00 N ATOM 311 CA VAL A 38 3.597 -2.479 -2.314 1.00 0.00 C ATOM 312 C VAL A 38 5.042 -1.864 -2.383 1.00 0.00 C ATOM 313 O VAL A 38 5.532 -1.279 -1.415 1.00 0.00 O ATOM 314 CB VAL A 38 3.713 -4.034 -2.319 1.00 0.00 C ATOM 315 CG1 VAL A 38 4.873 -4.794 -1.656 1.00 0.00 C ATOM 316 CG2 VAL A 38 2.426 -4.697 -1.825 1.00 0.00 C ATOM 0 H VAL A 38 2.697 -2.848 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 38 3.124 -2.100 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 38 3.939 -4.131 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.731 -5.866 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.815 -4.491 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.897 -4.565 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.545 -5.780 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.217 -4.371 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.598 -4.412 -2.474 1.00 0.00 H new ATOM 317 N GLN A 39 5.715 -2.008 -3.558 1.00 0.00 N ATOM 318 CA GLN A 39 6.790 -1.087 -4.013 1.00 0.00 C ATOM 319 C GLN A 39 6.362 0.413 -3.914 1.00 0.00 C ATOM 320 O GLN A 39 7.071 1.199 -3.281 1.00 0.00 O ATOM 321 CB GLN A 39 7.169 -1.465 -5.480 1.00 0.00 C ATOM 322 CG GLN A 39 7.792 -2.863 -5.734 1.00 0.00 C ATOM 323 CD GLN A 39 8.028 -3.326 -7.179 1.00 0.00 C ATOM 324 OE1 GLN A 39 8.036 -4.516 -7.469 1.00 0.00 O ATOM 325 NE2 GLN A 39 8.259 -2.460 -8.134 1.00 0.00 N ATOM 0 H GLN A 39 5.526 -2.766 -4.214 1.00 0.00 H new ATOM 0 HA GLN A 39 7.655 -1.200 -3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.268 -1.385 -6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.870 -0.715 -5.848 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.752 -2.893 -5.219 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.149 -3.601 -5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.260 -1.461 -7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.438 -2.784 -9.084 1.00 0.00 H new ATOM 326 N ASP A 40 5.140 0.774 -4.379 1.00 0.00 N ATOM 327 CA ASP A 40 4.483 2.023 -3.908 1.00 0.00 C ATOM 328 C ASP A 40 4.354 2.274 -2.379 1.00 0.00 C ATOM 329 O ASP A 40 4.515 3.408 -1.935 1.00 0.00 O ATOM 330 CB ASP A 40 3.218 2.453 -4.681 1.00 0.00 C ATOM 331 CG ASP A 40 2.980 3.931 -4.958 1.00 0.00 C ATOM 332 OD1 ASP A 40 3.507 4.782 -4.034 1.00 0.00 O ATOM 333 OD2 ASP A 40 2.316 4.298 -5.912 1.00 0.00 O ATOM 0 H ASP A 40 4.601 0.238 -5.059 1.00 0.00 H new ATOM 0 HA ASP A 40 5.278 2.712 -4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.230 1.938 -5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.355 2.080 -4.130 1.00 0.00 H new ATOM 334 N ALA A 41 4.016 1.264 -1.588 1.00 0.00 N ATOM 335 CA ALA A 41 3.367 1.485 -0.278 1.00 0.00 C ATOM 336 C ALA A 41 4.330 1.710 0.912 1.00 0.00 C ATOM 337 O ALA A 41 4.116 2.611 1.726 1.00 0.00 O ATOM 338 CB ALA A 41 2.257 0.441 -0.093 1.00 0.00 C ATOM 0 H ALA A 41 4.175 0.283 -1.819 1.00 0.00 H new ATOM 0 HA ALA A 41 2.884 2.462 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.771 0.594 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.522 0.546 -0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.689 -0.559 -0.127 1.00 0.00 H new ATOM 566 N PRO B 5 -8.672 -14.946 0.534 1.00 0.00 N ATOM 567 CA PRO B 5 -8.109 -15.934 -0.422 1.00 0.00 C ATOM 568 C PRO B 5 -6.558 -15.928 -0.464 1.00 0.00 C ATOM 569 O PRO B 5 -5.912 -14.872 -0.430 1.00 0.00 O ATOM 570 CB PRO B 5 -8.796 -15.547 -1.751 1.00 0.00 C ATOM 571 CG PRO B 5 -9.850 -14.503 -1.362 1.00 0.00 C ATOM 572 CD PRO B 5 -9.231 -13.789 -0.180 1.00 0.00 C ATOM 0 HA PRO B 5 -8.307 -16.970 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -8.078 -15.138 -2.462 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -9.255 -16.414 -2.225 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -10.054 -13.815 -2.183 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -10.798 -14.971 -1.095 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -8.467 -13.071 -0.477 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -9.966 -13.245 0.413 1.00 0.00 H new ATOM 573 N HIS B 6 -5.993 -17.138 -0.563 1.00 0.00 N ATOM 574 CA HIS B 6 -4.541 -17.348 -0.768 1.00 0.00 C ATOM 575 C HIS B 6 -4.096 -16.967 -2.230 1.00 0.00 C ATOM 576 O HIS B 6 -4.614 -17.533 -3.201 1.00 0.00 O ATOM 577 CB HIS B 6 -4.229 -18.864 -0.570 1.00 0.00 C ATOM 578 CG HIS B 6 -4.373 -19.471 0.822 1.00 0.00 C ATOM 579 ND1 HIS B 6 -5.475 -20.208 1.221 1.00 0.00 N ATOM 580 CD2 HIS B 6 -3.416 -19.418 1.844 1.00 0.00 C ATOM 581 CE1 HIS B 6 -5.075 -20.516 2.498 1.00 0.00 C ATOM 582 NE2 HIS B 6 -3.848 -20.121 2.950 1.00 0.00 N ATOM 0 H HIS B 6 -6.525 -18.006 -0.504 1.00 0.00 H new ATOM 0 HA HIS B 6 -4.007 -16.717 -0.057 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -4.878 -19.425 -1.243 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -3.204 -19.035 -0.900 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -2.471 -18.899 1.776 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -5.734 -21.073 3.148 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -3.387 -20.295 3.843 1.00 0.00 H new ATOM 583 N PHE B 7 -3.067 -16.126 -2.417 1.00 0.00 N ATOM 584 CA PHE B 7 -2.167 -16.249 -3.597 1.00 0.00 C ATOM 585 C PHE B 7 -0.664 -16.196 -3.165 1.00 0.00 C ATOM 586 O PHE B 7 -0.274 -15.536 -2.194 1.00 0.00 O ATOM 587 CB PHE B 7 -2.602 -15.301 -4.755 1.00 0.00 C ATOM 588 CG PHE B 7 -2.120 -13.842 -4.773 1.00 0.00 C ATOM 589 CD1 PHE B 7 -0.827 -13.543 -5.227 1.00 0.00 C ATOM 590 CD2 PHE B 7 -2.979 -12.784 -4.445 1.00 0.00 C ATOM 591 CE1 PHE B 7 -0.418 -12.230 -5.348 1.00 0.00 C ATOM 592 CE2 PHE B 7 -2.574 -11.473 -4.632 1.00 0.00 C ATOM 593 CZ PHE B 7 -1.309 -11.203 -5.130 1.00 0.00 C ATOM 0 H PHE B 7 -2.832 -15.362 -1.783 1.00 0.00 H new ATOM 0 HA PHE B 7 -2.272 -17.239 -4.041 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -2.280 -15.761 -5.689 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -3.692 -15.283 -4.768 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -0.149 -14.343 -5.483 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -3.960 -12.992 -4.045 1.00 0.00 H new ATOM 0 HE1 PHE B 7 0.605 -12.007 -5.615 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -3.244 -10.661 -4.390 1.00 0.00 H new ATOM 0 HZ PHE B 7 -1.022 -10.185 -5.348 1.00 0.00 H new ATOM 594 N ASN B 8 0.209 -16.884 -3.916 1.00 0.00 N ATOM 595 CA ASN B 8 1.678 -16.863 -3.661 1.00 0.00 C ATOM 596 C ASN B 8 2.327 -15.494 -4.051 1.00 0.00 C ATOM 597 O ASN B 8 2.846 -15.341 -5.161 1.00 0.00 O ATOM 598 CB ASN B 8 2.320 -18.078 -4.388 1.00 0.00 C ATOM 599 CG ASN B 8 1.993 -19.446 -3.786 1.00 0.00 C ATOM 600 OD1 ASN B 8 0.958 -20.041 -4.060 1.00 0.00 O ATOM 601 ND2 ASN B 8 2.824 -19.976 -2.927 1.00 0.00 N ATOM 0 H ASN B 8 -0.066 -17.465 -4.708 1.00 0.00 H new ATOM 0 HA ASN B 8 1.867 -16.959 -2.592 1.00 0.00 H new ATOM 0 HB2 ASN B 8 1.996 -18.070 -5.429 1.00 0.00 H new ATOM 0 HB3 ASN B 8 3.402 -17.949 -4.390 1.00 0.00 H new ATOM 0 HD21 ASN B 8 2.607 -20.874 -2.494 1.00 0.00 H new ATOM 0 HD22 ASN B 8 3.690 -19.492 -2.689 1.00 0.00 H new ATOM 602 N PHE B 9 2.298 -14.491 -3.146 1.00 0.00 N ATOM 603 CA PHE B 9 3.041 -13.244 -3.339 1.00 0.00 C ATOM 604 C PHE B 9 4.540 -13.409 -2.937 1.00 0.00 C ATOM 605 O PHE B 9 4.992 -14.235 -2.148 1.00 0.00 O ATOM 606 CB PHE B 9 2.270 -12.102 -2.635 1.00 0.00 C ATOM 607 CG PHE B 9 2.685 -10.696 -3.092 1.00 0.00 C ATOM 608 CD1 PHE B 9 2.728 -10.341 -4.449 1.00 0.00 C ATOM 609 CD2 PHE B 9 2.841 -9.687 -2.140 1.00 0.00 C ATOM 610 CE1 PHE B 9 2.946 -9.031 -4.828 1.00 0.00 C ATOM 611 CE2 PHE B 9 3.166 -8.396 -2.519 1.00 0.00 C ATOM 612 CZ PHE B 9 3.113 -8.062 -3.856 1.00 0.00 C ATOM 0 H PHE B 9 1.765 -14.529 -2.277 1.00 0.00 H new ATOM 0 HA PHE B 9 3.097 -12.970 -4.393 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.203 -12.232 -2.816 1.00 0.00 H new ATOM 0 HB3 PHE B 9 2.423 -12.183 -1.559 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.589 -11.100 -5.205 1.00 0.00 H new ATOM 0 HD2 PHE B 9 2.706 -9.917 -1.093 1.00 0.00 H new ATOM 0 HE1 PHE B 9 2.986 -8.766 -5.874 1.00 0.00 H new ATOM 0 HE2 PHE B 9 3.456 -7.663 -1.781 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.203 -7.026 -4.149 1.00 0.00 H new ATOM 613 N ARG B 10 5.314 -12.625 -3.641 1.00 0.00 N ATOM 614 CA ARG B 10 6.523 -13.053 -4.363 1.00 0.00 C ATOM 615 C ARG B 10 7.187 -11.745 -4.875 1.00 0.00 C ATOM 616 O ARG B 10 6.607 -10.978 -5.657 1.00 0.00 O ATOM 617 CB ARG B 10 6.143 -14.016 -5.517 1.00 0.00 C ATOM 618 CG ARG B 10 7.368 -14.605 -6.252 1.00 0.00 C ATOM 619 CD ARG B 10 7.395 -14.322 -7.741 1.00 0.00 C ATOM 620 NE ARG B 10 8.041 -13.021 -8.058 1.00 0.00 N ATOM 621 CZ ARG B 10 7.670 -12.172 -9.006 1.00 0.00 C ATOM 622 NH1 ARG B 10 6.636 -12.324 -9.776 1.00 0.00 N ATOM 623 NH2 ARG B 10 8.398 -11.129 -9.175 1.00 0.00 N ATOM 0 H ARG B 10 5.127 -11.627 -3.742 1.00 0.00 H new ATOM 0 HA ARG B 10 7.216 -13.608 -3.730 1.00 0.00 H new ATOM 0 HB2 ARG B 10 5.542 -14.832 -5.116 1.00 0.00 H new ATOM 0 HB3 ARG B 10 5.519 -13.483 -6.235 1.00 0.00 H new ATOM 0 HG2 ARG B 10 8.276 -14.204 -5.801 1.00 0.00 H new ATOM 0 HG3 ARG B 10 7.386 -15.684 -6.098 1.00 0.00 H new ATOM 0 HD2 ARG B 10 7.929 -15.124 -8.251 1.00 0.00 H new ATOM 0 HD3 ARG B 10 6.376 -14.322 -8.127 1.00 0.00 H new ATOM 0 HE ARG B 10 8.847 -12.756 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG B 10 6.040 -13.146 -9.674 1.00 0.00 H new ATOM 0 HH12 ARG B 10 6.419 -11.622 -10.483 1.00 0.00 H new ATOM 0 HH21 ARG B 10 9.222 -10.982 -8.592 1.00 0.00 H new ATOM 0 HH22 ARG B 10 8.153 -10.447 -9.892 1.00 0.00 H new ATOM 624 N MET B 11 8.354 -11.440 -4.316 1.00 0.00 N ATOM 625 CA MET B 11 8.833 -10.046 -4.218 1.00 0.00 C ATOM 626 C MET B 11 10.329 -9.961 -4.665 1.00 0.00 C ATOM 627 O MET B 11 11.169 -10.523 -3.951 1.00 0.00 O ATOM 628 CB MET B 11 8.645 -9.595 -2.741 1.00 0.00 C ATOM 629 CG MET B 11 7.355 -8.889 -2.291 1.00 0.00 C ATOM 630 SD MET B 11 5.941 -9.960 -2.536 1.00 0.00 S ATOM 631 CE MET B 11 5.570 -10.467 -0.850 1.00 0.00 C ATOM 0 H MET B 11 8.992 -12.131 -3.922 1.00 0.00 H new ATOM 0 HA MET B 11 8.269 -9.385 -4.876 1.00 0.00 H new ATOM 0 HB2 MET B 11 8.758 -10.482 -2.118 1.00 0.00 H new ATOM 0 HB3 MET B 11 9.474 -8.930 -2.501 1.00 0.00 H new ATOM 0 HG2 MET B 11 7.432 -8.612 -1.240 1.00 0.00 H new ATOM 0 HG3 MET B 11 7.222 -7.966 -2.855 1.00 0.00 H new ATOM 0 HE1 MET B 11 4.640 -11.035 -0.837 1.00 0.00 H new ATOM 0 HE2 MET B 11 6.380 -11.090 -0.471 1.00 0.00 H new ATOM 0 HE3 MET B 11 5.465 -9.584 -0.219 1.00 0.00 H new ATOM 632 N PRO B 12 10.739 -9.218 -5.745 1.00 0.00 N ATOM 633 CA PRO B 12 12.164 -8.839 -5.985 1.00 0.00 C ATOM 634 C PRO B 12 12.964 -8.358 -4.739 1.00 0.00 C ATOM 635 O PRO B 12 12.378 -7.797 -3.803 1.00 0.00 O ATOM 636 CB PRO B 12 12.036 -7.776 -7.093 1.00 0.00 C ATOM 637 CG PRO B 12 10.753 -8.147 -7.839 1.00 0.00 C ATOM 638 CD PRO B 12 9.818 -8.646 -6.741 1.00 0.00 C ATOM 0 HA PRO B 12 12.769 -9.701 -6.265 1.00 0.00 H new ATOM 0 HB2 PRO B 12 11.974 -6.772 -6.673 1.00 0.00 H new ATOM 0 HB3 PRO B 12 12.899 -7.791 -7.758 1.00 0.00 H new ATOM 0 HG2 PRO B 12 10.332 -7.288 -8.361 1.00 0.00 H new ATOM 0 HG3 PRO B 12 10.936 -8.917 -8.588 1.00 0.00 H new ATOM 0 HD2 PRO B 12 9.223 -7.835 -6.320 1.00 0.00 H new ATOM 0 HD3 PRO B 12 9.118 -9.392 -7.117 1.00 0.00 H new ATOM 639 N MET B 13 14.270 -8.670 -4.677 1.00 0.00 N ATOM 640 CA MET B 13 14.975 -8.771 -3.364 1.00 0.00 C ATOM 641 C MET B 13 14.854 -7.579 -2.356 1.00 0.00 C ATOM 642 O MET B 13 14.621 -7.799 -1.167 1.00 0.00 O ATOM 643 CB MET B 13 16.454 -9.168 -3.591 1.00 0.00 C ATOM 644 CG MET B 13 17.105 -9.905 -2.396 1.00 0.00 C ATOM 645 SD MET B 13 16.679 -11.665 -2.348 1.00 0.00 S ATOM 646 CE MET B 13 15.246 -11.734 -1.258 1.00 0.00 C ATOM 0 H MET B 13 14.856 -8.854 -5.491 1.00 0.00 H new ATOM 0 HA MET B 13 14.421 -9.552 -2.843 1.00 0.00 H new ATOM 0 HB2 MET B 13 16.516 -9.805 -4.473 1.00 0.00 H new ATOM 0 HB3 MET B 13 17.031 -8.268 -3.806 1.00 0.00 H new ATOM 0 HG2 MET B 13 18.188 -9.799 -2.455 1.00 0.00 H new ATOM 0 HG3 MET B 13 16.788 -9.433 -1.466 1.00 0.00 H new ATOM 0 HE1 MET B 13 15.156 -12.736 -0.838 1.00 0.00 H new ATOM 0 HE2 MET B 13 15.368 -11.011 -0.451 1.00 0.00 H new ATOM 0 HE3 MET B 13 14.346 -11.497 -1.825 1.00 0.00 H new ATOM 647 N GLU B 14 14.922 -6.332 -2.848 1.00 0.00 N ATOM 648 CA GLU B 14 14.537 -5.143 -2.050 1.00 0.00 C ATOM 649 C GLU B 14 13.042 -5.050 -1.604 1.00 0.00 C ATOM 650 O GLU B 14 12.842 -4.723 -0.448 1.00 0.00 O ATOM 651 CB GLU B 14 15.091 -3.851 -2.709 1.00 0.00 C ATOM 652 CG GLU B 14 14.350 -3.357 -3.979 1.00 0.00 C ATOM 653 CD GLU B 14 15.015 -2.176 -4.677 1.00 0.00 C ATOM 654 OE1 GLU B 14 14.750 -0.987 -4.062 1.00 0.00 O ATOM 655 OE2 GLU B 14 15.705 -2.298 -5.683 1.00 0.00 O ATOM 0 H GLU B 14 15.239 -6.114 -3.793 1.00 0.00 H new ATOM 0 HA GLU B 14 15.023 -5.271 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU B 14 15.070 -3.052 -1.968 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.137 -4.019 -2.966 1.00 0.00 H new ATOM 0 HG2 GLU B 14 14.273 -4.184 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU B 14 13.333 -3.076 -3.705 1.00 0.00 H new ATOM 656 N VAL B 15 11.991 -5.331 -2.400 1.00 0.00 N ATOM 657 CA VAL B 15 10.576 -5.386 -1.885 1.00 0.00 C ATOM 658 C VAL B 15 10.392 -6.402 -0.740 1.00 0.00 C ATOM 659 O VAL B 15 9.769 -6.038 0.249 1.00 0.00 O ATOM 660 CB VAL B 15 9.500 -5.713 -2.981 1.00 0.00 C ATOM 661 CG1 VAL B 15 8.192 -4.949 -2.721 1.00 0.00 C ATOM 662 CG2 VAL B 15 9.878 -5.524 -4.465 1.00 0.00 C ATOM 0 H VAL B 15 12.077 -5.525 -3.398 1.00 0.00 H new ATOM 0 HA VAL B 15 10.412 -4.371 -1.522 1.00 0.00 H new ATOM 0 HB VAL B 15 9.397 -6.791 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL B 15 7.466 -5.196 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.793 -5.232 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.388 -3.877 -2.735 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.029 -5.792 -5.094 1.00 0.00 H new ATOM 0 HG22 VAL B 15 10.147 -4.483 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.726 -6.164 -4.709 1.00 0.00 H new ATOM 663 N ARG B 16 10.889 -7.644 -0.846 1.00 0.00 N ATOM 664 CA ARG B 16 10.776 -8.581 0.288 1.00 0.00 C ATOM 665 C ARG B 16 11.737 -8.315 1.455 1.00 0.00 C ATOM 666 O ARG B 16 11.274 -8.419 2.578 1.00 0.00 O ATOM 667 CB ARG B 16 10.781 -10.069 -0.091 1.00 0.00 C ATOM 668 CG ARG B 16 9.649 -10.790 0.690 1.00 0.00 C ATOM 669 CD ARG B 16 9.997 -12.245 0.864 1.00 0.00 C ATOM 670 NE ARG B 16 9.052 -12.940 1.767 1.00 0.00 N ATOM 671 CZ ARG B 16 9.119 -14.232 2.066 1.00 0.00 C ATOM 672 NH1 ARG B 16 9.905 -15.085 1.479 1.00 0.00 N ATOM 673 NH2 ARG B 16 8.368 -14.663 3.013 1.00 0.00 N ATOM 0 H ARG B 16 11.357 -8.016 -1.672 1.00 0.00 H new ATOM 0 HA ARG B 16 9.774 -8.353 0.650 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.632 -10.185 -1.164 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.747 -10.515 0.147 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.510 -10.321 1.664 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.705 -10.694 0.153 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.996 -12.736 -0.109 1.00 0.00 H new ATOM 0 HD3 ARG B 16 11.008 -12.330 1.263 1.00 0.00 H new ATOM 0 HE ARG B 16 8.301 -12.391 2.186 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.527 -14.775 0.732 1.00 0.00 H new ATOM 0 HH12 ARG B 16 9.900 -16.064 1.765 1.00 0.00 H new ATOM 0 HH21 ARG B 16 7.749 -14.020 3.506 1.00 0.00 H new ATOM 0 HH22 ARG B 16 8.390 -15.649 3.273 1.00 0.00 H new ATOM 674 N GLU B 17 12.998 -7.905 1.284 1.00 0.00 N ATOM 675 CA GLU B 17 13.734 -7.321 2.437 1.00 0.00 C ATOM 676 C GLU B 17 13.089 -6.011 3.010 1.00 0.00 C ATOM 677 O GLU B 17 13.053 -5.867 4.219 1.00 0.00 O ATOM 678 CB GLU B 17 15.210 -7.071 2.084 1.00 0.00 C ATOM 679 CG GLU B 17 16.084 -8.332 1.863 1.00 0.00 C ATOM 680 CD GLU B 17 17.549 -8.028 1.568 1.00 0.00 C ATOM 681 OE1 GLU B 17 18.183 -7.494 2.649 1.00 0.00 O ATOM 682 OE2 GLU B 17 18.087 -8.247 0.489 1.00 0.00 O ATOM 0 H GLU B 17 13.520 -7.957 0.409 1.00 0.00 H new ATOM 0 HA GLU B 17 13.668 -8.069 3.227 1.00 0.00 H new ATOM 0 HB2 GLU B 17 15.248 -6.465 1.179 1.00 0.00 H new ATOM 0 HB3 GLU B 17 15.658 -6.479 2.883 1.00 0.00 H new ATOM 0 HG2 GLU B 17 16.026 -8.962 2.751 1.00 0.00 H new ATOM 0 HG3 GLU B 17 15.670 -8.908 1.036 1.00 0.00 H new ATOM 683 N LYS B 18 12.523 -5.093 2.217 1.00 0.00 N ATOM 684 CA LYS B 18 11.727 -3.951 2.735 1.00 0.00 C ATOM 685 C LYS B 18 10.384 -4.341 3.433 1.00 0.00 C ATOM 686 O LYS B 18 10.153 -3.918 4.565 1.00 0.00 O ATOM 687 CB LYS B 18 11.646 -2.836 1.672 1.00 0.00 C ATOM 688 CG LYS B 18 12.973 -2.151 1.233 1.00 0.00 C ATOM 689 CD LYS B 18 12.880 -1.089 0.107 1.00 0.00 C ATOM 690 CE LYS B 18 12.181 -1.514 -1.195 1.00 0.00 C ATOM 691 NZ LYS B 18 12.443 -0.534 -2.267 1.00 0.00 N ATOM 0 H LYS B 18 12.598 -5.112 1.200 1.00 0.00 H new ATOM 0 HA LYS B 18 12.266 -3.527 3.583 1.00 0.00 H new ATOM 0 HB2 LYS B 18 11.176 -3.255 0.783 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.979 -2.061 2.050 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.415 -1.677 2.109 1.00 0.00 H new ATOM 0 HG3 LYS B 18 13.664 -2.929 0.908 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.357 -0.219 0.504 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.892 -0.768 -0.141 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.535 -2.499 -1.500 1.00 0.00 H new ATOM 0 HE3 LYS B 18 11.107 -1.599 -1.027 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.622 -0.489 -2.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.608 0.403 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.284 -0.825 -2.805 1.00 0.00 H new ATOM 692 N LEU B 19 9.533 -5.170 2.817 1.00 0.00 N ATOM 693 CA LEU B 19 8.264 -5.678 3.402 1.00 0.00 C ATOM 694 C LEU B 19 8.451 -6.698 4.569 1.00 0.00 C ATOM 695 O LEU B 19 7.739 -6.629 5.575 1.00 0.00 O ATOM 696 CB LEU B 19 7.439 -6.100 2.149 1.00 0.00 C ATOM 697 CG LEU B 19 5.909 -6.138 2.256 1.00 0.00 C ATOM 698 CD1 LEU B 19 5.182 -4.792 2.437 1.00 0.00 C ATOM 699 CD2 LEU B 19 5.391 -6.812 0.972 1.00 0.00 C ATOM 0 H LEU B 19 9.702 -5.521 1.874 1.00 0.00 H new ATOM 0 HA LEU B 19 7.701 -4.939 3.973 1.00 0.00 H new ATOM 0 HB2 LEU B 19 7.697 -5.419 1.338 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.775 -7.093 1.851 1.00 0.00 H new ATOM 0 HG LEU B 19 5.688 -6.678 3.177 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.107 -4.964 2.498 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.526 -4.313 3.354 1.00 0.00 H new ATOM 0 HD13 LEU B 19 5.398 -4.145 1.587 1.00 0.00 H new ATOM 0 HD21 LEU B 19 4.303 -6.863 1.001 1.00 0.00 H new ATOM 0 HD22 LEU B 19 5.704 -6.231 0.104 1.00 0.00 H new ATOM 0 HD23 LEU B 19 5.799 -7.820 0.900 1.00 0.00 H new ATOM 700 N LYS B 20 9.436 -7.603 4.464 1.00 0.00 N ATOM 701 CA LYS B 20 9.772 -8.592 5.492 1.00 0.00 C ATOM 702 C LYS B 20 10.735 -8.061 6.605 1.00 0.00 C ATOM 703 O LYS B 20 10.645 -8.567 7.718 1.00 0.00 O ATOM 704 CB LYS B 20 10.350 -9.860 4.839 1.00 0.00 C ATOM 705 CG LYS B 20 10.277 -11.140 5.690 1.00 0.00 C ATOM 706 CD LYS B 20 10.861 -12.408 5.027 1.00 0.00 C ATOM 707 CE LYS B 20 12.052 -12.195 4.080 1.00 0.00 C ATOM 708 NZ LYS B 20 12.545 -13.490 3.576 1.00 0.00 N ATOM 0 H LYS B 20 10.034 -7.666 3.640 1.00 0.00 H new ATOM 0 HA LYS B 20 8.837 -8.826 6.001 1.00 0.00 H new ATOM 0 HB2 LYS B 20 9.821 -10.038 3.902 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.394 -9.673 4.586 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.805 -10.964 6.627 1.00 0.00 H new ATOM 0 HG3 LYS B 20 9.234 -11.330 5.943 1.00 0.00 H new ATOM 0 HD2 LYS B 20 11.169 -13.095 5.815 1.00 0.00 H new ATOM 0 HD3 LYS B 20 10.064 -12.900 4.469 1.00 0.00 H new ATOM 0 HE2 LYS B 20 11.752 -11.563 3.244 1.00 0.00 H new ATOM 0 HE3 LYS B 20 12.853 -11.673 4.604 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 13.350 -13.330 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 12.850 -14.081 4.376 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 11.783 -13.974 3.059 1.00 0.00 H new ATOM 709 N PHE B 21 11.639 -7.077 6.369 1.00 0.00 N ATOM 710 CA PHE B 21 12.249 -6.272 7.467 1.00 0.00 C ATOM 711 C PHE B 21 11.186 -5.404 8.127 1.00 0.00 C ATOM 712 O PHE B 21 10.851 -5.810 9.216 1.00 0.00 O ATOM 713 CB PHE B 21 13.457 -5.387 7.071 1.00 0.00 C ATOM 714 CG PHE B 21 14.756 -6.056 6.656 1.00 0.00 C ATOM 715 CD1 PHE B 21 15.004 -7.423 6.786 1.00 0.00 C ATOM 716 CD2 PHE B 21 15.715 -5.230 6.076 1.00 0.00 C ATOM 717 CE1 PHE B 21 16.179 -7.965 6.297 1.00 0.00 C ATOM 718 CE2 PHE B 21 16.895 -5.768 5.590 1.00 0.00 C ATOM 719 CZ PHE B 21 17.139 -7.140 5.704 1.00 0.00 C ATOM 0 H PHE B 21 11.962 -6.820 5.436 1.00 0.00 H new ATOM 0 HA PHE B 21 12.652 -7.014 8.156 1.00 0.00 H new ATOM 0 HB2 PHE B 21 13.140 -4.746 6.248 1.00 0.00 H new ATOM 0 HB3 PHE B 21 13.678 -4.735 7.916 1.00 0.00 H new ATOM 0 HD1 PHE B 21 14.277 -8.059 7.269 1.00 0.00 H new ATOM 0 HD2 PHE B 21 15.538 -4.167 6.005 1.00 0.00 H new ATOM 0 HE1 PHE B 21 16.355 -9.028 6.374 1.00 0.00 H new ATOM 0 HE2 PHE B 21 17.628 -5.127 5.122 1.00 0.00 H new ATOM 0 HZ PHE B 21 18.064 -7.560 5.336 1.00 0.00 H new ATOM 720 N ARG B 22 10.587 -4.331 7.585 1.00 0.00 N ATOM 721 CA ARG B 22 9.337 -3.719 8.155 1.00 0.00 C ATOM 722 C ARG B 22 8.469 -4.646 9.107 1.00 0.00 C ATOM 723 O ARG B 22 8.459 -4.435 10.318 1.00 0.00 O ATOM 724 CB ARG B 22 8.629 -3.022 6.979 1.00 0.00 C ATOM 725 CG ARG B 22 7.506 -2.099 7.483 1.00 0.00 C ATOM 726 CD ARG B 22 7.021 -1.135 6.410 1.00 0.00 C ATOM 727 NE ARG B 22 5.755 -0.519 6.870 1.00 0.00 N ATOM 728 CZ ARG B 22 5.627 0.656 7.489 1.00 0.00 C ATOM 729 NH1 ARG B 22 6.614 1.445 7.787 1.00 0.00 N ATOM 730 NH2 ARG B 22 4.444 1.032 7.824 1.00 0.00 N ATOM 0 H ARG B 22 10.935 -3.856 6.752 1.00 0.00 H new ATOM 0 HA ARG B 22 9.581 -2.971 8.910 1.00 0.00 H new ATOM 0 HB2 ARG B 22 9.352 -2.442 6.406 1.00 0.00 H new ATOM 0 HB3 ARG B 22 8.214 -3.770 6.304 1.00 0.00 H new ATOM 0 HG2 ARG B 22 6.669 -2.705 7.828 1.00 0.00 H new ATOM 0 HG3 ARG B 22 7.864 -1.532 8.342 1.00 0.00 H new ATOM 0 HD2 ARG B 22 7.771 -0.366 6.224 1.00 0.00 H new ATOM 0 HD3 ARG B 22 6.866 -1.663 5.469 1.00 0.00 H new ATOM 0 HE ARG B 22 4.898 -1.044 6.697 1.00 0.00 H new ATOM 0 HH11 ARG B 22 7.569 1.180 7.546 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.434 2.330 8.262 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.642 0.438 7.615 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.308 1.924 8.299 1.00 0.00 H new ATOM 731 N ALA B 23 8.091 -5.847 8.632 1.00 0.00 N ATOM 732 CA ALA B 23 7.688 -6.982 9.498 1.00 0.00 C ATOM 733 C ALA B 23 8.708 -7.433 10.629 1.00 0.00 C ATOM 734 O ALA B 23 8.539 -7.069 11.794 1.00 0.00 O ATOM 735 CB ALA B 23 7.257 -8.068 8.492 1.00 0.00 C ATOM 0 H ALA B 23 8.055 -6.063 7.636 1.00 0.00 H new ATOM 0 HA ALA B 23 6.877 -6.697 10.168 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.937 -8.959 9.033 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.431 -7.695 7.886 1.00 0.00 H new ATOM 0 HB3 ALA B 23 8.098 -8.319 7.845 1.00 0.00 H new ATOM 736 N GLU B 24 9.750 -8.202 10.286 1.00 0.00 N ATOM 737 CA GLU B 24 10.757 -8.775 11.235 1.00 0.00 C ATOM 738 C GLU B 24 11.807 -7.819 11.917 1.00 0.00 C ATOM 739 O GLU B 24 12.198 -8.052 13.061 1.00 0.00 O ATOM 740 CB GLU B 24 11.467 -9.955 10.507 1.00 0.00 C ATOM 741 CG GLU B 24 10.591 -11.135 9.978 1.00 0.00 C ATOM 742 CD GLU B 24 9.649 -11.833 10.965 1.00 0.00 C ATOM 743 OE1 GLU B 24 10.269 -12.172 12.127 1.00 0.00 O ATOM 744 OE2 GLU B 24 8.469 -12.083 10.726 1.00 0.00 O ATOM 0 H GLU B 24 9.935 -8.459 9.316 1.00 0.00 H new ATOM 0 HA GLU B 24 10.172 -9.077 12.104 1.00 0.00 H new ATOM 0 HB2 GLU B 24 12.014 -9.542 9.660 1.00 0.00 H new ATOM 0 HB3 GLU B 24 12.206 -10.371 11.191 1.00 0.00 H new ATOM 0 HG2 GLU B 24 9.989 -10.759 9.151 1.00 0.00 H new ATOM 0 HG3 GLU B 24 11.261 -11.890 9.566 1.00 0.00 H new ATOM 745 N ALA B 25 12.245 -6.749 11.237 1.00 0.00 N ATOM 746 CA ALA B 25 12.744 -5.493 11.864 1.00 0.00 C ATOM 747 C ALA B 25 11.936 -4.957 13.111 1.00 0.00 C ATOM 748 O ALA B 25 12.540 -4.574 14.114 1.00 0.00 O ATOM 749 CB ALA B 25 12.676 -4.357 10.813 1.00 0.00 C ATOM 0 H ALA B 25 12.267 -6.721 10.218 1.00 0.00 H new ATOM 0 HA ALA B 25 13.744 -5.751 12.212 1.00 0.00 H new ATOM 0 HB1 ALA B 25 13.038 -3.429 11.256 1.00 0.00 H new ATOM 0 HB2 ALA B 25 13.297 -4.617 9.956 1.00 0.00 H new ATOM 0 HB3 ALA B 25 11.645 -4.225 10.486 1.00 0.00 H new ATOM 750 N ASN B 26 10.585 -4.846 12.990 1.00 0.00 N ATOM 751 CA ASN B 26 9.745 -4.048 13.929 1.00 0.00 C ATOM 752 C ASN B 26 8.845 -4.873 14.926 1.00 0.00 C ATOM 753 O ASN B 26 8.706 -4.477 16.085 1.00 0.00 O ATOM 754 CB ASN B 26 9.053 -2.985 13.005 1.00 0.00 C ATOM 755 CG ASN B 26 7.546 -2.782 13.059 1.00 0.00 C ATOM 756 OD1 ASN B 26 7.012 -1.819 13.595 1.00 0.00 O ATOM 757 ND2 ASN B 26 6.848 -3.657 12.400 1.00 0.00 N ATOM 0 H ASN B 26 10.052 -5.301 12.249 1.00 0.00 H new ATOM 0 HA ASN B 26 10.334 -3.548 14.698 1.00 0.00 H new ATOM 0 HB2 ASN B 26 9.516 -2.022 13.220 1.00 0.00 H new ATOM 0 HB3 ASN B 26 9.307 -3.239 11.976 1.00 0.00 H new ATOM 0 HD21 ASN B 26 5.837 -3.549 12.322 1.00 0.00 H new ATOM 0 HD22 ASN B 26 7.311 -4.452 11.960 1.00 0.00 H new ATOM 758 N GLY B 27 8.187 -5.952 14.471 1.00 0.00 N ATOM 759 CA GLY B 27 7.099 -6.642 15.236 1.00 0.00 C ATOM 760 C GLY B 27 5.787 -7.037 14.501 1.00 0.00 C ATOM 761 O GLY B 27 4.824 -7.413 15.169 1.00 0.00 O ATOM 0 H GLY B 27 8.383 -6.381 13.566 1.00 0.00 H new ATOM 0 HA2 GLY B 27 7.523 -7.552 15.661 1.00 0.00 H new ATOM 0 HA3 GLY B 27 6.826 -5.997 16.071 1.00 0.00 H new ATOM 762 N ARG B 28 5.719 -6.991 13.162 1.00 0.00 N ATOM 763 CA ARG B 28 4.608 -7.586 12.366 1.00 0.00 C ATOM 764 C ARG B 28 5.248 -8.803 11.598 1.00 0.00 C ATOM 765 O ARG B 28 6.469 -8.989 11.579 1.00 0.00 O ATOM 766 CB ARG B 28 3.963 -6.408 11.573 1.00 0.00 C ATOM 767 CG ARG B 28 3.339 -5.247 12.416 1.00 0.00 C ATOM 768 CD ARG B 28 2.712 -4.059 11.645 1.00 0.00 C ATOM 769 NE ARG B 28 3.678 -3.282 10.835 1.00 0.00 N ATOM 770 CZ ARG B 28 4.205 -2.106 11.155 1.00 0.00 C ATOM 771 NH1 ARG B 28 4.043 -1.511 12.298 1.00 0.00 N ATOM 772 NH2 ARG B 28 4.943 -1.530 10.277 1.00 0.00 N ATOM 0 H ARG B 28 6.431 -6.540 12.588 1.00 0.00 H new ATOM 0 HA ARG B 28 3.762 -8.024 12.896 1.00 0.00 H new ATOM 0 HB2 ARG B 28 4.724 -5.982 10.919 1.00 0.00 H new ATOM 0 HB3 ARG B 28 3.184 -6.818 10.930 1.00 0.00 H new ATOM 0 HG2 ARG B 28 2.569 -5.674 13.059 1.00 0.00 H new ATOM 0 HG3 ARG B 28 4.116 -4.851 13.070 1.00 0.00 H new ATOM 0 HD2 ARG B 28 1.929 -4.439 10.989 1.00 0.00 H new ATOM 0 HD3 ARG B 28 2.233 -3.389 12.359 1.00 0.00 H new ATOM 0 HE ARG B 28 3.966 -3.689 9.945 1.00 0.00 H new ATOM 0 HH11 ARG B 28 3.477 -1.949 13.025 1.00 0.00 H new ATOM 0 HH12 ARG B 28 4.482 -0.606 12.469 1.00 0.00 H new ATOM 0 HH21 ARG B 28 5.105 -1.977 9.374 1.00 0.00 H new ATOM 0 HH22 ARG B 28 5.368 -0.625 10.482 1.00 0.00 H new ATOM 773 N SER B 29 4.483 -9.727 11.013 1.00 0.00 N ATOM 774 CA SER B 29 5.100 -10.921 10.333 1.00 0.00 C ATOM 775 C SER B 29 4.406 -11.076 8.976 1.00 0.00 C ATOM 776 O SER B 29 3.200 -11.233 8.984 1.00 0.00 O ATOM 777 CB SER B 29 5.026 -12.166 11.241 1.00 0.00 C ATOM 778 OG SER B 29 5.877 -13.195 10.729 1.00 0.00 O ATOM 0 H SER B 29 3.464 -9.696 10.983 1.00 0.00 H new ATOM 0 HA SER B 29 6.166 -10.786 10.152 1.00 0.00 H new ATOM 0 HB2 SER B 29 5.327 -11.905 12.256 1.00 0.00 H new ATOM 0 HB3 SER B 29 3.999 -12.526 11.296 1.00 0.00 H new ATOM 0 HG SER B 29 6.801 -12.871 10.700 1.00 0.00 H new ATOM 779 N MET B 30 5.063 -10.892 7.824 1.00 0.00 N ATOM 780 CA MET B 30 4.441 -10.180 6.660 1.00 0.00 C ATOM 781 C MET B 30 2.985 -10.483 6.212 1.00 0.00 C ATOM 782 O MET B 30 2.304 -9.581 5.744 1.00 0.00 O ATOM 783 CB MET B 30 5.208 -10.442 5.371 1.00 0.00 C ATOM 784 CG MET B 30 6.577 -9.889 5.261 1.00 0.00 C ATOM 785 SD MET B 30 7.353 -10.748 3.884 1.00 0.00 S ATOM 786 CE MET B 30 7.181 -9.427 2.702 1.00 0.00 C ATOM 0 H MET B 30 6.016 -11.216 7.657 1.00 0.00 H new ATOM 0 HA MET B 30 4.464 -9.177 7.087 1.00 0.00 H new ATOM 0 HB2 MET B 30 5.270 -11.521 5.231 1.00 0.00 H new ATOM 0 HB3 MET B 30 4.619 -10.046 4.544 1.00 0.00 H new ATOM 0 HG2 MET B 30 6.550 -8.814 5.084 1.00 0.00 H new ATOM 0 HG3 MET B 30 7.136 -10.046 6.183 1.00 0.00 H new ATOM 0 HE1 MET B 30 6.943 -9.843 1.723 1.00 0.00 H new ATOM 0 HE2 MET B 30 6.379 -8.759 3.017 1.00 0.00 H new ATOM 0 HE3 MET B 30 8.115 -8.869 2.641 1.00 0.00 H new ATOM 787 N ASN B 31 2.456 -11.703 6.296 1.00 0.00 N ATOM 788 CA ASN B 31 0.984 -11.872 6.259 1.00 0.00 C ATOM 789 C ASN B 31 0.201 -10.922 7.267 1.00 0.00 C ATOM 790 O ASN B 31 -0.597 -10.120 6.804 1.00 0.00 O ATOM 791 CB ASN B 31 0.626 -13.376 6.296 1.00 0.00 C ATOM 792 CG ASN B 31 -0.823 -13.732 5.962 1.00 0.00 C ATOM 793 OD1 ASN B 31 -1.479 -14.485 6.666 1.00 0.00 O ATOM 794 ND2 ASN B 31 -1.365 -13.226 4.886 1.00 0.00 N ATOM 0 H ASN B 31 2.992 -12.566 6.387 1.00 0.00 H new ATOM 0 HA ASN B 31 0.607 -11.506 5.304 1.00 0.00 H new ATOM 0 HB2 ASN B 31 1.278 -13.901 5.598 1.00 0.00 H new ATOM 0 HB3 ASN B 31 0.852 -13.758 7.292 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -2.327 -13.461 4.641 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -0.826 -12.596 4.291 1.00 0.00 H new ATOM 795 N SER B 32 0.590 -10.858 8.553 1.00 0.00 N ATOM 796 CA SER B 32 0.498 -9.626 9.406 1.00 0.00 C ATOM 797 C SER B 32 1.055 -8.258 8.861 1.00 0.00 C ATOM 798 O SER B 32 0.242 -7.345 8.712 1.00 0.00 O ATOM 799 CB SER B 32 0.939 -10.004 10.846 1.00 0.00 C ATOM 800 OG SER B 32 1.080 -8.865 11.700 1.00 0.00 O ATOM 0 H SER B 32 0.983 -11.659 9.048 1.00 0.00 H new ATOM 0 HA SER B 32 -0.552 -9.333 9.386 1.00 0.00 H new ATOM 0 HB2 SER B 32 0.208 -10.687 11.277 1.00 0.00 H new ATOM 0 HB3 SER B 32 1.888 -10.539 10.802 1.00 0.00 H new ATOM 0 HG SER B 32 1.357 -9.158 12.593 1.00 0.00 H new ATOM 801 N GLU B 33 2.361 -8.041 8.588 1.00 0.00 N ATOM 802 CA GLU B 33 2.844 -6.675 8.141 1.00 0.00 C ATOM 803 C GLU B 33 2.367 -6.207 6.755 1.00 0.00 C ATOM 804 O GLU B 33 1.746 -5.154 6.638 1.00 0.00 O ATOM 805 CB GLU B 33 4.368 -6.538 8.060 1.00 0.00 C ATOM 806 CG GLU B 33 4.980 -5.103 8.104 1.00 0.00 C ATOM 807 CD GLU B 33 4.368 -3.901 7.373 1.00 0.00 C ATOM 808 OE1 GLU B 33 3.525 -3.158 7.858 1.00 0.00 O ATOM 809 OE2 GLU B 33 4.897 -3.715 6.133 1.00 0.00 O ATOM 0 H GLU B 33 3.090 -8.751 8.659 1.00 0.00 H new ATOM 0 HA GLU B 33 2.405 -6.066 8.931 1.00 0.00 H new ATOM 0 HB2 GLU B 33 4.798 -7.109 8.882 1.00 0.00 H new ATOM 0 HB3 GLU B 33 4.697 -7.013 7.136 1.00 0.00 H new ATOM 0 HG2 GLU B 33 5.038 -4.826 9.157 1.00 0.00 H new ATOM 0 HG3 GLU B 33 6.004 -5.194 7.742 1.00 0.00 H new ATOM 810 N LEU B 34 2.718 -6.968 5.698 1.00 0.00 N ATOM 811 CA LEU B 34 2.208 -6.757 4.347 1.00 0.00 C ATOM 812 C LEU B 34 0.652 -6.627 4.427 1.00 0.00 C ATOM 813 O LEU B 34 0.201 -5.668 3.831 1.00 0.00 O ATOM 814 CB LEU B 34 3.060 -7.601 3.345 1.00 0.00 C ATOM 815 CG LEU B 34 2.463 -8.529 2.318 1.00 0.00 C ATOM 816 CD1 LEU B 34 1.527 -7.748 1.368 1.00 0.00 C ATOM 817 CD2 LEU B 34 3.303 -9.281 1.318 1.00 0.00 C ATOM 0 H LEU B 34 3.369 -7.750 5.769 1.00 0.00 H new ATOM 0 HA LEU B 34 2.365 -5.815 3.821 1.00 0.00 H new ATOM 0 HB2 LEU B 34 3.677 -6.891 2.794 1.00 0.00 H new ATOM 0 HB3 LEU B 34 3.734 -8.207 3.951 1.00 0.00 H new ATOM 0 HG LEU B 34 2.055 -9.258 3.018 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.103 -8.431 0.632 1.00 0.00 H new ATOM 0 HD12 LEU B 34 0.723 -7.291 1.944 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.094 -6.970 0.857 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.657 -9.886 0.682 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.858 -8.573 0.703 1.00 0.00 H new ATOM 0 HD23 LEU B 34 4.003 -9.930 1.845 1.00 0.00 H new ATOM 818 N LEU B 35 -0.177 -7.330 5.264 1.00 0.00 N ATOM 819 CA LEU B 35 -1.599 -6.913 5.431 1.00 0.00 C ATOM 820 C LEU B 35 -1.817 -5.548 6.072 1.00 0.00 C ATOM 821 O LEU B 35 -2.468 -4.712 5.469 1.00 0.00 O ATOM 822 CB LEU B 35 -2.512 -7.923 6.160 1.00 0.00 C ATOM 823 CG LEU B 35 -3.122 -9.019 5.280 1.00 0.00 C ATOM 824 CD1 LEU B 35 -4.031 -9.856 6.163 1.00 0.00 C ATOM 825 CD2 LEU B 35 -3.949 -8.369 4.148 1.00 0.00 C ATOM 0 H LEU B 35 0.102 -8.148 5.807 1.00 0.00 H new ATOM 0 HA LEU B 35 -1.893 -6.862 4.383 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -1.936 -8.398 6.954 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -3.322 -7.373 6.639 1.00 0.00 H new ATOM 0 HG LEU B 35 -2.344 -9.638 4.832 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -4.485 -10.649 5.569 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -3.448 -10.296 6.972 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -4.814 -9.224 6.583 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -4.383 -9.148 3.521 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -4.746 -7.765 4.581 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -3.301 -7.735 3.542 1.00 0.00 H new ATOM 826 N GLN B 36 -1.294 -5.327 7.263 1.00 0.00 N ATOM 827 CA GLN B 36 -1.367 -4.009 7.934 1.00 0.00 C ATOM 828 C GLN B 36 -0.904 -2.771 7.069 1.00 0.00 C ATOM 829 O GLN B 36 -1.588 -1.748 7.072 1.00 0.00 O ATOM 830 CB GLN B 36 -0.627 -4.260 9.280 1.00 0.00 C ATOM 831 CG GLN B 36 -0.854 -3.230 10.410 1.00 0.00 C ATOM 832 CD GLN B 36 -0.429 -1.789 10.166 1.00 0.00 C ATOM 833 OE1 GLN B 36 -1.146 -0.866 10.509 1.00 0.00 O ATOM 834 NE2 GLN B 36 0.712 -1.531 9.582 1.00 0.00 N ATOM 0 H GLN B 36 -0.806 -6.041 7.804 1.00 0.00 H new ATOM 0 HA GLN B 36 -2.390 -3.674 8.104 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -0.924 -5.241 9.652 1.00 0.00 H new ATOM 0 HB3 GLN B 36 0.442 -4.307 9.075 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -1.917 -3.227 10.649 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -0.329 -3.587 11.296 1.00 0.00 H new ATOM 0 HE21 GLN B 36 1.320 -2.296 9.291 1.00 0.00 H new ATOM 0 HE22 GLN B 36 0.994 -0.565 9.418 1.00 0.00 H new ATOM 835 N ILE B 37 0.172 -2.885 6.273 1.00 0.00 N ATOM 836 CA ILE B 37 0.527 -1.902 5.210 1.00 0.00 C ATOM 837 C ILE B 37 -0.357 -1.936 3.912 1.00 0.00 C ATOM 838 O ILE B 37 -0.437 -0.929 3.240 1.00 0.00 O ATOM 839 CB ILE B 37 2.060 -2.016 4.870 1.00 0.00 C ATOM 840 CG1 ILE B 37 2.834 -0.672 4.918 1.00 0.00 C ATOM 841 CG2 ILE B 37 2.354 -2.801 3.569 1.00 0.00 C ATOM 842 CD1 ILE B 37 2.486 0.402 3.876 1.00 0.00 C ATOM 0 H ILE B 37 0.830 -3.662 6.341 1.00 0.00 H new ATOM 0 HA ILE B 37 0.303 -0.925 5.637 1.00 0.00 H new ATOM 0 HB ILE B 37 2.455 -2.613 5.692 1.00 0.00 H new ATOM 0 HG12 ILE B 37 2.686 -0.237 5.907 1.00 0.00 H new ATOM 0 HG13 ILE B 37 3.897 -0.896 4.824 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.430 -2.837 3.401 1.00 0.00 H new ATOM 0 HG22 ILE B 37 1.967 -3.816 3.661 1.00 0.00 H new ATOM 0 HG23 ILE B 37 1.872 -2.304 2.727 1.00 0.00 H new ATOM 0 HD11 ILE B 37 3.109 1.281 4.038 1.00 0.00 H new ATOM 0 HD12 ILE B 37 2.665 0.009 2.875 1.00 0.00 H new ATOM 0 HD13 ILE B 37 1.436 0.678 3.975 1.00 0.00 H new ATOM 843 N VAL B 38 -0.837 -3.079 3.424 1.00 0.00 N ATOM 844 CA VAL B 38 -1.722 -3.220 2.232 1.00 0.00 C ATOM 845 C VAL B 38 -3.178 -2.711 2.553 1.00 0.00 C ATOM 846 O VAL B 38 -3.770 -1.965 1.783 1.00 0.00 O ATOM 847 CB VAL B 38 -1.726 -4.721 1.823 1.00 0.00 C ATOM 848 CG1 VAL B 38 -2.893 -5.319 1.026 1.00 0.00 C ATOM 849 CG2 VAL B 38 -0.433 -5.120 1.080 1.00 0.00 C ATOM 0 H VAL B 38 -0.621 -3.978 3.854 1.00 0.00 H new ATOM 0 HA VAL B 38 -1.351 -2.611 1.408 1.00 0.00 H new ATOM 0 HB VAL B 38 -1.834 -5.149 2.820 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -2.704 -6.377 0.842 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -3.816 -5.209 1.595 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -2.989 -4.797 0.074 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -0.478 -6.176 0.813 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -0.334 -4.521 0.175 1.00 0.00 H new ATOM 0 HG23 VAL B 38 0.427 -4.946 1.727 1.00 0.00 H new ATOM 850 N GLN B 39 -3.752 -3.123 3.703 1.00 0.00 N ATOM 851 CA GLN B 39 -4.829 -2.392 4.415 1.00 0.00 C ATOM 852 C GLN B 39 -4.522 -0.884 4.683 1.00 0.00 C ATOM 853 O GLN B 39 -5.386 -0.057 4.427 1.00 0.00 O ATOM 854 CB GLN B 39 -5.061 -3.150 5.760 1.00 0.00 C ATOM 855 CG GLN B 39 -5.779 -4.528 5.646 1.00 0.00 C ATOM 856 CD GLN B 39 -5.793 -5.466 6.861 1.00 0.00 C ATOM 857 OE1 GLN B 39 -5.963 -6.672 6.728 1.00 0.00 O ATOM 858 NE2 GLN B 39 -5.647 -4.993 8.073 1.00 0.00 N ATOM 0 H GLN B 39 -3.478 -3.986 4.173 1.00 0.00 H new ATOM 0 HA GLN B 39 -5.716 -2.377 3.781 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -4.095 -3.304 6.240 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -5.647 -2.510 6.420 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -6.815 -4.336 5.367 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -5.321 -5.070 4.818 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -5.504 -3.993 8.217 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -5.676 -5.624 8.874 1.00 0.00 H new ATOM 859 N ASP B 40 -3.297 -0.480 5.072 1.00 0.00 N ATOM 860 CA ASP B 40 -2.818 0.913 4.837 1.00 0.00 C ATOM 861 C ASP B 40 -2.903 1.441 3.371 1.00 0.00 C ATOM 862 O ASP B 40 -3.390 2.549 3.133 1.00 0.00 O ATOM 863 CB ASP B 40 -1.445 1.152 5.494 1.00 0.00 C ATOM 864 CG ASP B 40 -0.848 2.542 5.600 1.00 0.00 C ATOM 865 OD1 ASP B 40 -1.761 3.554 5.508 1.00 0.00 O ATOM 866 OD2 ASP B 40 0.357 2.698 5.758 1.00 0.00 O ATOM 0 H ASP B 40 -2.623 -1.082 5.545 1.00 0.00 H new ATOM 0 HA ASP B 40 -3.552 1.540 5.343 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -1.505 0.755 6.507 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -0.724 0.538 4.954 1.00 0.00 H new ATOM 867 N ALA B 41 -2.431 0.629 2.426 1.00 0.00 N ATOM 868 CA ALA B 41 -2.318 0.990 1.002 1.00 0.00 C ATOM 869 C ALA B 41 -3.646 1.151 0.191 1.00 0.00 C ATOM 870 O ALA B 41 -3.717 1.938 -0.751 1.00 0.00 O ATOM 871 CB ALA B 41 -1.256 0.024 0.461 1.00 0.00 C ATOM 0 H ALA B 41 -2.109 -0.318 2.626 1.00 0.00 H new ATOM 0 HA ALA B 41 -2.005 2.026 0.874 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -1.099 0.214 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -0.320 0.174 0.999 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -1.594 -1.003 0.600 1.00 0.00 H new ATOM 872 N LEU B 42 -4.700 0.455 0.619 1.00 0.00 N ATOM 873 CA LEU B 42 -6.071 0.551 0.042 1.00 0.00 C ATOM 874 C LEU B 42 -7.099 1.242 1.012 1.00 0.00 C ATOM 875 O LEU B 42 -7.995 1.941 0.532 1.00 0.00 O ATOM 876 CB LEU B 42 -6.583 -0.852 -0.395 1.00 0.00 C ATOM 877 CG LEU B 42 -5.574 -1.887 -0.964 1.00 0.00 C ATOM 878 CD1 LEU B 42 -5.871 -3.294 -0.434 1.00 0.00 C ATOM 879 CD2 LEU B 42 -5.505 -1.802 -2.491 1.00 0.00 C ATOM 0 H LEU B 42 -4.639 -0.209 1.391 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.995 1.191 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -7.067 -1.308 0.469 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -7.355 -0.699 -1.149 1.00 0.00 H new ATOM 0 HG LEU B 42 -4.574 -1.641 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -5.150 -3.999 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -5.797 -3.296 0.653 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -6.878 -3.589 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -4.792 -2.537 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -6.490 -2.006 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -5.184 -0.803 -2.786 1.00 0.00 H new