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 139:sc= -3.33 (180deg=-9.08!) USER MOD Set 1.2: B 30 MET CE :methyl -123:sc= -4.19 (180deg=-10.2!) USER MOD Set 2.1: A 32 SER OG : rot 36:sc= 1.28 USER MOD Set 2.2: A 36 GLN : amide:sc= 1.01 K(o=2.3,f=-2.1) USER MOD Set 3.1: A 11 MET CE :methyl -145:sc= -3.1 (180deg=-5.93!) USER MOD Set 3.2: A 30 MET CE :methyl 142:sc= -5.67! (180deg=-10!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 13 MET CE :methyl -145:sc= -1.33 (180deg=-5.07!) USER MOD Single : A 18 LYS NZ :NH3+ -126:sc= 0.00201 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 54:sc= 1.25 USER MOD Single : A 31 ASN : amide:sc= -0.837 X(o=-0.84,f=-1.2) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 HIS : no HD1:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : B 8 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.19) USER MOD Single : B 13 MET CE :methyl -164:sc= -0.88 (180deg=-2.05!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 ASN : amide:sc= -1.02 X(o=-1,f=-1) USER MOD Single : B 29 SER OG : rot 35:sc= 0.539 USER MOD Single : B 31 ASN : amide:sc= 0.864 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= 0.656 K(o=0.66,f=0) USER MOD Single : B 39 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 4 14.075 -14.275 -5.177 1.00 0.00 N ATOM 26 CA ASP A 4 12.877 -13.436 -4.886 1.00 0.00 C ATOM 27 C ASP A 4 11.814 -14.233 -4.045 1.00 0.00 C ATOM 28 O ASP A 4 11.031 -14.983 -4.636 1.00 0.00 O ATOM 29 CB ASP A 4 12.355 -12.770 -6.192 1.00 0.00 C ATOM 30 CG ASP A 4 11.793 -13.636 -7.319 1.00 0.00 C ATOM 31 OD1 ASP A 4 12.163 -14.775 -7.581 1.00 0.00 O ATOM 32 OD2 ASP A 4 10.809 -12.988 -7.998 1.00 0.00 O ATOM 0 HA ASP A 4 13.147 -12.603 -4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.576 -12.063 -5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.176 -12.187 -6.609 1.00 0.00 H new ATOM 33 N PRO A 5 11.758 -14.164 -2.680 1.00 0.00 N ATOM 34 CA PRO A 5 11.083 -15.217 -1.870 1.00 0.00 C ATOM 35 C PRO A 5 9.542 -15.077 -1.700 1.00 0.00 C ATOM 36 O PRO A 5 8.956 -13.990 -1.761 1.00 0.00 O ATOM 37 CB PRO A 5 11.861 -15.167 -0.534 1.00 0.00 C ATOM 38 CG PRO A 5 13.144 -14.408 -0.868 1.00 0.00 C ATOM 39 CD PRO A 5 12.663 -13.357 -1.841 1.00 0.00 C ATOM 0 HA PRO A 5 11.123 -16.184 -2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.288 -14.657 0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.077 -16.169 -0.163 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.594 -13.963 0.019 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.896 -15.059 -1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.146 -12.537 -1.343 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.479 -12.918 -2.415 1.00 0.00 H new ATOM 40 N HIS A 6 8.914 -16.231 -1.461 1.00 0.00 N ATOM 41 CA HIS A 6 7.441 -16.360 -1.368 1.00 0.00 C ATOM 42 C HIS A 6 6.878 -16.071 0.059 1.00 0.00 C ATOM 43 O HIS A 6 7.329 -16.649 1.054 1.00 0.00 O ATOM 44 CB HIS A 6 7.068 -17.817 -1.777 1.00 0.00 C ATOM 45 CG HIS A 6 7.235 -18.177 -3.251 1.00 0.00 C ATOM 46 ND1 HIS A 6 8.437 -18.558 -3.826 1.00 0.00 N ATOM 47 CD2 HIS A 6 6.204 -18.184 -4.199 1.00 0.00 C ATOM 48 CE1 HIS A 6 8.013 -18.753 -5.116 1.00 0.00 C ATOM 49 NE2 HIS A 6 6.689 -18.588 -5.431 1.00 0.00 N ATOM 0 H HIS A 6 9.408 -17.113 -1.324 1.00 0.00 H new ATOM 0 HA HIS A 6 6.998 -15.616 -2.030 1.00 0.00 H new ATOM 0 HB2 HIS A 6 7.677 -18.503 -1.188 1.00 0.00 H new ATOM 0 HB3 HIS A 6 6.029 -17.994 -1.499 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.178 -17.913 -3.998 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.720 -19.036 -5.881 1.00 0.00 H new ATOM 0 HE2 HIS A 6 6.202 -18.724 -6.317 1.00 0.00 H new ATOM 50 N PHE A 7 5.766 -15.326 0.144 1.00 0.00 N ATOM 51 CA PHE A 7 4.680 -15.695 1.087 1.00 0.00 C ATOM 52 C PHE A 7 3.313 -15.468 0.376 1.00 0.00 C ATOM 53 O PHE A 7 3.097 -14.475 -0.332 1.00 0.00 O ATOM 54 CB PHE A 7 4.843 -15.051 2.494 1.00 0.00 C ATOM 55 CG PHE A 7 4.201 -13.682 2.750 1.00 0.00 C ATOM 56 CD1 PHE A 7 2.849 -13.611 3.112 1.00 0.00 C ATOM 57 CD2 PHE A 7 4.921 -12.493 2.588 1.00 0.00 C ATOM 58 CE1 PHE A 7 2.249 -12.384 3.318 1.00 0.00 C ATOM 59 CE2 PHE A 7 4.317 -11.274 2.848 1.00 0.00 C ATOM 60 CZ PHE A 7 3.003 -11.229 3.286 1.00 0.00 C ATOM 0 H PHE A 7 5.589 -14.487 -0.408 1.00 0.00 H new ATOM 0 HA PHE A 7 4.735 -16.756 1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 7 4.439 -15.749 3.227 1.00 0.00 H new ATOM 0 HB3 PHE A 7 5.910 -14.960 2.695 1.00 0.00 H new ATOM 0 HD1 PHE A 7 2.275 -14.518 3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.949 -12.526 2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.187 -12.329 3.505 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.871 -10.357 2.709 1.00 0.00 H new ATOM 0 HZ PHE A 7 2.570 -10.291 3.602 1.00 0.00 H new ATOM 61 N ASN A 8 2.351 -16.371 0.587 1.00 0.00 N ATOM 62 CA ASN A 8 1.033 -16.252 -0.076 1.00 0.00 C ATOM 63 C ASN A 8 0.173 -15.113 0.561 1.00 0.00 C ATOM 64 O ASN A 8 -0.438 -15.332 1.610 1.00 0.00 O ATOM 65 CB ASN A 8 0.318 -17.628 -0.107 1.00 0.00 C ATOM 66 CG ASN A 8 0.977 -18.794 -0.851 1.00 0.00 C ATOM 67 OD1 ASN A 8 2.031 -18.704 -1.468 1.00 0.00 O ATOM 68 ND2 ASN A 8 0.361 -19.945 -0.820 1.00 0.00 N ATOM 0 H ASN A 8 2.449 -17.181 1.199 1.00 0.00 H new ATOM 0 HA ASN A 8 1.183 -15.955 -1.114 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.165 -17.942 0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.669 -17.476 -0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.759 -20.750 -1.305 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.518 -20.039 -0.311 1.00 0.00 H new ATOM 69 N PHE A 9 0.090 -13.911 -0.066 1.00 0.00 N ATOM 70 CA PHE A 9 -0.876 -12.871 0.354 1.00 0.00 C ATOM 71 C PHE A 9 -2.318 -13.173 -0.205 1.00 0.00 C ATOM 72 O PHE A 9 -2.865 -12.670 -1.185 1.00 0.00 O ATOM 73 CB PHE A 9 -0.268 -11.487 0.046 1.00 0.00 C ATOM 74 CG PHE A 9 -0.849 -10.339 0.885 1.00 0.00 C ATOM 75 CD1 PHE A 9 -0.905 -10.378 2.290 1.00 0.00 C ATOM 76 CD2 PHE A 9 -1.085 -9.119 0.252 1.00 0.00 C ATOM 77 CE1 PHE A 9 -1.199 -9.232 3.011 1.00 0.00 C ATOM 78 CE2 PHE A 9 -1.481 -8.010 0.962 1.00 0.00 C ATOM 79 CZ PHE A 9 -1.434 -8.046 2.332 1.00 0.00 C ATOM 0 H PHE A 9 0.676 -13.643 -0.857 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.045 -12.875 1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.809 -11.532 0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.421 -11.263 -1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.718 -11.306 2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.954 -9.044 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.245 -9.262 4.090 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.824 -7.124 0.448 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.583 -7.135 2.892 1.00 0.00 H new ATOM 80 N ARG A 10 -2.879 -14.127 0.512 1.00 0.00 N ATOM 81 CA ARG A 10 -4.238 -14.035 1.085 1.00 0.00 C ATOM 82 C ARG A 10 -4.623 -12.744 1.828 1.00 0.00 C ATOM 83 O ARG A 10 -3.863 -12.171 2.614 1.00 0.00 O ATOM 84 CB ARG A 10 -4.722 -15.218 1.966 1.00 0.00 C ATOM 85 CG ARG A 10 -3.904 -15.585 3.212 1.00 0.00 C ATOM 86 CD ARG A 10 -4.696 -16.568 4.089 1.00 0.00 C ATOM 87 NE ARG A 10 -3.815 -17.143 5.135 1.00 0.00 N ATOM 88 CZ ARG A 10 -4.151 -18.119 5.966 1.00 0.00 C ATOM 89 NH1 ARG A 10 -5.307 -18.717 5.969 1.00 0.00 N ATOM 90 NH2 ARG A 10 -3.269 -18.495 6.821 1.00 0.00 N ATOM 0 H ARG A 10 -2.409 -15.007 0.725 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.756 -14.056 0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.739 -14.996 2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.776 -16.103 1.332 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.955 -16.032 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.669 -14.685 3.781 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.538 -16.055 4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.109 -17.366 3.472 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.875 -16.756 5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.026 -18.441 5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.494 -19.462 6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.354 -18.046 6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.484 -19.243 7.480 1.00 0.00 H new ATOM 91 N MET A 11 -5.858 -12.337 1.553 1.00 0.00 N ATOM 92 CA MET A 11 -6.402 -11.077 2.096 1.00 0.00 C ATOM 93 C MET A 11 -7.949 -11.213 2.337 1.00 0.00 C ATOM 94 O MET A 11 -8.627 -11.759 1.455 1.00 0.00 O ATOM 95 CB MET A 11 -6.057 -9.905 1.141 1.00 0.00 C ATOM 96 CG MET A 11 -4.589 -9.674 0.722 1.00 0.00 C ATOM 97 SD MET A 11 -4.460 -8.483 -0.624 1.00 0.00 S ATOM 98 CE MET A 11 -3.444 -9.429 -1.785 1.00 0.00 C ATOM 0 H MET A 11 -6.507 -12.853 0.960 1.00 0.00 H new ATOM 0 HA MET A 11 -5.945 -10.862 3.062 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.639 -10.044 0.230 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.412 -8.987 1.609 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.018 -9.318 1.579 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.145 -10.621 0.414 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.774 -8.753 -2.317 1.00 0.00 H new ATOM 0 HE2 MET A 11 -2.856 -10.166 -1.237 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.089 -9.939 -2.501 1.00 0.00 H new ATOM 99 N PRO A 12 -8.581 -10.722 3.455 1.00 0.00 N ATOM 100 CA PRO A 12 -10.065 -10.602 3.581 1.00 0.00 C ATOM 101 C PRO A 12 -10.827 -10.088 2.330 1.00 0.00 C ATOM 102 O PRO A 12 -10.295 -9.235 1.610 1.00 0.00 O ATOM 103 CB PRO A 12 -10.218 -9.649 4.783 1.00 0.00 C ATOM 104 CG PRO A 12 -8.976 -9.897 5.635 1.00 0.00 C ATOM 105 CD PRO A 12 -7.874 -10.160 4.614 1.00 0.00 C ATOM 0 HA PRO A 12 -10.521 -11.584 3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.275 -8.610 4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.130 -9.860 5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.743 -9.036 6.261 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.113 -10.748 6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.347 -9.243 4.352 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.130 -10.856 5.002 1.00 0.00 H new ATOM 106 N MET A 13 -12.030 -10.625 2.050 1.00 0.00 N ATOM 107 CA MET A 13 -12.699 -10.408 0.735 1.00 0.00 C ATOM 108 C MET A 13 -12.721 -8.972 0.102 1.00 0.00 C ATOM 109 O MET A 13 -12.531 -8.837 -1.106 1.00 0.00 O ATOM 110 CB MET A 13 -14.126 -11.013 0.775 1.00 0.00 C ATOM 111 CG MET A 13 -14.751 -11.317 -0.609 1.00 0.00 C ATOM 112 SD MET A 13 -14.167 -12.860 -1.356 1.00 0.00 S ATOM 113 CE MET A 13 -12.536 -12.461 -2.017 1.00 0.00 C ATOM 0 H MET A 13 -12.559 -11.205 2.701 1.00 0.00 H new ATOM 0 HA MET A 13 -12.034 -10.927 0.045 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.096 -11.936 1.353 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.781 -10.324 1.308 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.835 -11.363 -0.505 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.530 -10.491 -1.285 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.372 -13.016 -2.941 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.477 -11.392 -2.220 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.772 -12.734 -1.289 1.00 0.00 H new ATOM 114 N GLU A 14 -12.883 -7.914 0.910 1.00 0.00 N ATOM 115 CA GLU A 14 -12.653 -6.520 0.450 1.00 0.00 C ATOM 116 C GLU A 14 -11.216 -6.145 -0.024 1.00 0.00 C ATOM 117 O GLU A 14 -11.119 -5.580 -1.099 1.00 0.00 O ATOM 118 CB GLU A 14 -13.251 -5.522 1.482 1.00 0.00 C ATOM 119 CG GLU A 14 -12.537 -5.442 2.863 1.00 0.00 C ATOM 120 CD GLU A 14 -13.148 -4.459 3.855 1.00 0.00 C ATOM 121 OE1 GLU A 14 -14.365 -4.866 4.305 1.00 0.00 O ATOM 122 OE2 GLU A 14 -12.597 -3.431 4.231 1.00 0.00 O ATOM 0 H GLU A 14 -13.172 -7.988 1.885 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.193 -6.441 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.246 -4.527 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.294 -5.790 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.539 -6.435 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.495 -5.168 2.700 1.00 0.00 H new ATOM 123 N VAL A 15 -10.113 -6.462 0.670 1.00 0.00 N ATOM 124 CA VAL A 15 -8.724 -6.238 0.158 1.00 0.00 C ATOM 125 C VAL A 15 -8.385 -7.143 -1.051 1.00 0.00 C ATOM 126 O VAL A 15 -7.708 -6.648 -1.930 1.00 0.00 O ATOM 127 CB VAL A 15 -7.620 -6.427 1.256 1.00 0.00 C ATOM 128 CG1 VAL A 15 -6.542 -5.326 1.253 1.00 0.00 C ATOM 129 CG2 VAL A 15 -8.074 -6.658 2.724 1.00 0.00 C ATOM 0 H VAL A 15 -10.142 -6.880 1.600 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.718 -5.195 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.209 -7.379 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.815 -5.527 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.037 -5.314 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.010 -4.358 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.198 -6.771 3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.662 -5.804 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.681 -7.561 2.779 1.00 0.00 H new ATOM 130 N ARG A 16 -8.722 -8.439 -1.112 1.00 0.00 N ATOM 131 CA ARG A 16 -8.445 -9.234 -2.336 1.00 0.00 C ATOM 132 C ARG A 16 -9.436 -9.049 -3.515 1.00 0.00 C ATOM 133 O ARG A 16 -8.959 -9.084 -4.646 1.00 0.00 O ATOM 134 CB ARG A 16 -8.080 -10.708 -2.024 1.00 0.00 C ATOM 135 CG ARG A 16 -6.814 -11.157 -2.814 1.00 0.00 C ATOM 136 CD ARG A 16 -7.262 -11.953 -4.040 1.00 0.00 C ATOM 137 NE ARG A 16 -6.174 -12.167 -5.019 1.00 0.00 N ATOM 138 CZ ARG A 16 -6.127 -13.166 -5.897 1.00 0.00 C ATOM 139 NH1 ARG A 16 -6.938 -14.183 -5.906 1.00 0.00 N ATOM 140 NH2 ARG A 16 -5.222 -13.117 -6.808 1.00 0.00 N ATOM 0 H ARG A 16 -9.174 -8.955 -0.357 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.541 -8.780 -2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.904 -10.823 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.919 -11.355 -2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.231 -10.288 -3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.170 -11.767 -2.181 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.648 -12.920 -3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.084 -11.428 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.403 -11.500 -5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.675 -14.253 -5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.837 -14.910 -6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.572 -12.331 -6.840 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.153 -13.864 -7.499 1.00 0.00 H new ATOM 141 N GLU A 17 -10.734 -8.726 -3.349 1.00 0.00 N ATOM 142 CA GLU A 17 -11.474 -8.075 -4.466 1.00 0.00 C ATOM 143 C GLU A 17 -10.972 -6.635 -4.779 1.00 0.00 C ATOM 144 O GLU A 17 -10.805 -6.333 -5.956 1.00 0.00 O ATOM 145 CB GLU A 17 -13.006 -8.068 -4.280 1.00 0.00 C ATOM 146 CG GLU A 17 -13.707 -9.440 -4.427 1.00 0.00 C ATOM 147 CD GLU A 17 -15.229 -9.366 -4.457 1.00 0.00 C ATOM 148 OE1 GLU A 17 -15.693 -9.012 -5.689 1.00 0.00 O ATOM 149 OE2 GLU A 17 -15.943 -9.605 -3.489 1.00 0.00 O ATOM 0 H GLU A 17 -11.276 -8.891 -2.501 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.251 -8.707 -5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.231 -7.670 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.438 -7.380 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.360 -9.916 -5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.402 -10.081 -3.600 1.00 0.00 H new ATOM 150 N LYS A 18 -10.725 -5.749 -3.797 1.00 0.00 N ATOM 151 CA LYS A 18 -10.233 -4.376 -4.071 1.00 0.00 C ATOM 152 C LYS A 18 -8.742 -4.241 -4.499 1.00 0.00 C ATOM 153 O LYS A 18 -8.499 -3.403 -5.348 1.00 0.00 O ATOM 154 CB LYS A 18 -10.874 -3.308 -3.148 1.00 0.00 C ATOM 155 CG LYS A 18 -10.092 -2.911 -1.882 1.00 0.00 C ATOM 156 CD LYS A 18 -10.993 -2.373 -0.749 1.00 0.00 C ATOM 157 CE LYS A 18 -10.312 -2.431 0.626 1.00 0.00 C ATOM 158 NZ LYS A 18 -11.201 -1.821 1.635 1.00 0.00 N ATOM 0 H LYS A 18 -10.856 -5.954 -2.806 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.641 -4.089 -5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.040 -2.407 -3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.854 -3.672 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.541 -3.778 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.355 -2.151 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.271 -1.342 -0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.916 -2.952 -0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.094 -3.465 0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.360 -1.902 0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.686 -1.076 2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.030 -1.407 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.514 -2.550 2.308 1.00 0.00 H new ATOM 159 N LEU A 19 -7.782 -5.074 -4.063 1.00 0.00 N ATOM 160 CA LEU A 19 -6.448 -5.242 -4.709 1.00 0.00 C ATOM 161 C LEU A 19 -6.512 -5.943 -6.108 1.00 0.00 C ATOM 162 O LEU A 19 -5.858 -5.484 -7.044 1.00 0.00 O ATOM 163 CB LEU A 19 -5.416 -5.790 -3.656 1.00 0.00 C ATOM 164 CG LEU A 19 -3.983 -5.182 -3.714 1.00 0.00 C ATOM 165 CD1 LEU A 19 -3.156 -5.630 -2.504 1.00 0.00 C ATOM 166 CD2 LEU A 19 -3.154 -5.480 -4.972 1.00 0.00 C ATOM 0 H LEU A 19 -7.903 -5.664 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.052 -4.271 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.821 -5.618 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.335 -6.869 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.178 -4.110 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.159 -5.194 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.643 -5.298 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.077 -6.717 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.179 -5.000 -4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.021 -6.557 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.673 -5.094 -5.850 1.00 0.00 H new ATOM 167 N LYS A 20 -7.292 -7.024 -6.288 1.00 0.00 N ATOM 168 CA LYS A 20 -7.373 -7.767 -7.562 1.00 0.00 C ATOM 169 C LYS A 20 -8.241 -7.091 -8.671 1.00 0.00 C ATOM 170 O LYS A 20 -7.821 -7.117 -9.825 1.00 0.00 O ATOM 171 CB LYS A 20 -7.817 -9.221 -7.322 1.00 0.00 C ATOM 172 CG LYS A 20 -7.532 -10.173 -8.509 1.00 0.00 C ATOM 173 CD LYS A 20 -8.199 -11.567 -8.500 1.00 0.00 C ATOM 174 CE LYS A 20 -9.395 -11.740 -7.551 1.00 0.00 C ATOM 175 NZ LYS A 20 -10.051 -13.039 -7.782 1.00 0.00 N ATOM 0 H LYS A 20 -7.886 -7.409 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.358 -7.756 -7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.311 -9.602 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.886 -9.233 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.835 -9.664 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.453 -10.320 -8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.530 -11.795 -9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.443 -12.307 -8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.059 -11.674 -6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.110 -10.932 -7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.857 -13.141 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.389 -13.087 -8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.370 -13.807 -7.612 1.00 0.00 H new ATOM 176 N PHE A 21 -9.398 -6.458 -8.365 1.00 0.00 N ATOM 177 CA PHE A 21 -9.956 -5.369 -9.216 1.00 0.00 C ATOM 178 C PHE A 21 -8.934 -4.245 -9.401 1.00 0.00 C ATOM 179 O PHE A 21 -8.352 -4.294 -10.461 1.00 0.00 O ATOM 180 CB PHE A 21 -11.314 -4.798 -8.729 1.00 0.00 C ATOM 181 CG PHE A 21 -12.542 -5.614 -9.101 1.00 0.00 C ATOM 182 CD1 PHE A 21 -12.902 -5.789 -10.441 1.00 0.00 C ATOM 183 CD2 PHE A 21 -13.371 -6.101 -8.093 1.00 0.00 C ATOM 184 CE1 PHE A 21 -14.068 -6.472 -10.763 1.00 0.00 C ATOM 185 CE2 PHE A 21 -14.542 -6.774 -8.414 1.00 0.00 C ATOM 186 CZ PHE A 21 -14.892 -6.968 -9.751 1.00 0.00 C ATOM 0 H PHE A 21 -9.962 -6.677 -7.544 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.166 -5.837 -10.178 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.279 -4.702 -7.644 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.431 -3.793 -9.134 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.274 -5.393 -11.225 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.102 -5.954 -7.057 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.338 -6.620 -11.798 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.182 -7.148 -7.629 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.798 -7.500 -10.002 1.00 0.00 H new ATOM 187 N ARG A 22 -8.631 -3.300 -8.505 1.00 0.00 N ATOM 188 CA ARG A 22 -7.557 -2.278 -8.719 1.00 0.00 C ATOM 189 C ARG A 22 -6.336 -2.694 -9.647 1.00 0.00 C ATOM 190 O ARG A 22 -6.179 -2.086 -10.699 1.00 0.00 O ATOM 191 CB ARG A 22 -7.320 -1.776 -7.280 1.00 0.00 C ATOM 192 CG ARG A 22 -6.575 -0.474 -7.043 1.00 0.00 C ATOM 193 CD ARG A 22 -5.084 -0.764 -7.039 1.00 0.00 C ATOM 194 NE ARG A 22 -4.360 0.487 -6.791 1.00 0.00 N ATOM 195 CZ ARG A 22 -4.148 1.424 -7.694 1.00 0.00 C ATOM 196 NH1 ARG A 22 -4.429 1.315 -8.959 1.00 0.00 N ATOM 197 NH2 ARG A 22 -3.654 2.508 -7.269 1.00 0.00 N ATOM 0 H ARG A 22 -9.111 -3.207 -7.610 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.831 -1.452 -9.376 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.296 -1.682 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.781 -2.560 -6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.818 0.248 -7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.877 -0.032 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.844 -1.498 -6.269 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.780 -1.193 -7.994 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.994 0.644 -5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.845 0.455 -9.317 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.233 2.089 -9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.443 2.618 -6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.466 3.272 -7.918 1.00 0.00 H new ATOM 198 N ALA A 23 -5.697 -3.863 -9.458 1.00 0.00 N ATOM 199 CA ALA A 23 -4.998 -4.606 -10.550 1.00 0.00 C ATOM 200 C ALA A 23 -5.712 -4.848 -11.945 1.00 0.00 C ATOM 201 O ALA A 23 -5.380 -4.172 -12.926 1.00 0.00 O ATOM 202 CB ALA A 23 -4.440 -5.874 -9.878 1.00 0.00 C ATOM 0 H ALA A 23 -5.644 -4.327 -8.551 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.229 -3.943 -10.948 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.911 -6.475 -10.618 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.752 -5.591 -9.081 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.261 -6.455 -9.459 1.00 0.00 H new ATOM 203 N GLU A 24 -6.641 -5.815 -12.028 1.00 0.00 N ATOM 204 CA GLU A 24 -7.421 -6.163 -13.260 1.00 0.00 C ATOM 205 C GLU A 24 -8.411 -5.093 -13.852 1.00 0.00 C ATOM 206 O GLU A 24 -8.488 -4.923 -15.068 1.00 0.00 O ATOM 207 CB GLU A 24 -8.140 -7.527 -13.034 1.00 0.00 C ATOM 208 CG GLU A 24 -7.264 -8.775 -12.719 1.00 0.00 C ATOM 209 CD GLU A 24 -6.272 -9.200 -13.800 1.00 0.00 C ATOM 210 OE1 GLU A 24 -6.892 -9.626 -14.933 1.00 0.00 O ATOM 211 OE2 GLU A 24 -5.052 -9.179 -13.658 1.00 0.00 O ATOM 0 H GLU A 24 -6.887 -6.399 -11.229 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.665 -6.212 -14.043 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.846 -7.400 -12.213 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.725 -7.747 -13.927 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.707 -8.579 -11.803 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.928 -9.615 -12.515 1.00 0.00 H new ATOM 229 N ARG A 28 -2.313 -3.431 -13.994 1.00 0.00 N ATOM 230 CA ARG A 28 -1.141 -4.130 -13.372 1.00 0.00 C ATOM 231 C ARG A 28 -1.781 -5.458 -12.826 1.00 0.00 C ATOM 232 O ARG A 28 -2.944 -5.469 -12.445 1.00 0.00 O ATOM 233 CB ARG A 28 -0.345 -3.132 -12.451 1.00 0.00 C ATOM 234 CG ARG A 28 0.076 -1.736 -13.020 1.00 0.00 C ATOM 235 CD ARG A 28 1.065 -0.797 -12.248 1.00 0.00 C ATOM 236 NE ARG A 28 0.886 -0.342 -10.835 1.00 0.00 N ATOM 237 CZ ARG A 28 -0.173 0.214 -10.280 1.00 0.00 C ATOM 238 NH1 ARG A 28 -1.285 0.423 -10.893 1.00 0.00 N ATOM 239 NH2 ARG A 28 -0.080 0.560 -9.047 1.00 0.00 N ATOM 0 HA ARG A 28 -0.309 -4.441 -14.003 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.949 -2.955 -11.561 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.562 -3.640 -12.124 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.512 -1.914 -14.003 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.842 -1.169 -13.176 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.036 -1.291 -12.283 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.146 0.110 -12.847 1.00 0.00 H new ATOM 0 HE ARG A 28 1.688 -0.480 -10.220 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.387 0.153 -11.871 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.065 0.859 -10.401 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.789 0.401 -8.537 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.875 0.994 -8.578 1.00 0.00 H new ATOM 240 N SER A 29 -1.147 -6.635 -12.849 1.00 0.00 N ATOM 241 CA SER A 29 -1.877 -7.939 -12.641 1.00 0.00 C ATOM 242 C SER A 29 -1.357 -8.600 -11.345 1.00 0.00 C ATOM 243 O SER A 29 -0.171 -8.884 -11.297 1.00 0.00 O ATOM 244 CB SER A 29 -1.690 -8.813 -13.899 1.00 0.00 C ATOM 245 OG SER A 29 -2.501 -9.987 -13.820 1.00 0.00 O ATOM 0 H SER A 29 -0.144 -6.736 -13.006 1.00 0.00 H new ATOM 0 HA SER A 29 -2.949 -7.791 -12.511 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.954 -8.241 -14.789 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.642 -9.094 -14.001 1.00 0.00 H new ATOM 0 HG SER A 29 -3.431 -9.731 -13.646 1.00 0.00 H new ATOM 246 N MET A 30 -2.128 -8.743 -10.252 1.00 0.00 N ATOM 247 CA MET A 30 -1.635 -8.416 -8.873 1.00 0.00 C ATOM 248 C MET A 30 -0.194 -8.850 -8.448 1.00 0.00 C ATOM 249 O MET A 30 0.518 -8.035 -7.900 1.00 0.00 O ATOM 250 CB MET A 30 -2.516 -9.000 -7.762 1.00 0.00 C ATOM 251 CG MET A 30 -3.963 -8.619 -7.680 1.00 0.00 C ATOM 252 SD MET A 30 -4.733 -9.783 -6.545 1.00 0.00 S ATOM 253 CE MET A 30 -4.828 -8.747 -5.096 1.00 0.00 C ATOM 0 H MET A 30 -3.090 -9.079 -10.281 1.00 0.00 H new ATOM 0 HA MET A 30 -1.658 -7.330 -8.969 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.470 -10.086 -7.848 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.056 -8.736 -6.810 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.075 -7.596 -7.322 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.433 -8.666 -8.662 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.763 -8.941 -4.571 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.989 -8.967 -4.436 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.790 -7.699 -5.395 1.00 0.00 H new ATOM 254 N ASN A 31 0.351 -10.046 -8.667 1.00 0.00 N ATOM 255 CA ASN A 31 1.833 -10.228 -8.515 1.00 0.00 C ATOM 256 C ASN A 31 2.724 -9.107 -9.229 1.00 0.00 C ATOM 257 O ASN A 31 3.532 -8.485 -8.544 1.00 0.00 O ATOM 258 CB ASN A 31 2.188 -11.695 -8.851 1.00 0.00 C ATOM 259 CG ASN A 31 3.648 -12.065 -8.617 1.00 0.00 C ATOM 260 OD1 ASN A 31 4.400 -12.345 -9.540 1.00 0.00 O ATOM 261 ND2 ASN A 31 4.106 -12.017 -7.396 1.00 0.00 N ATOM 0 H ASN A 31 -0.166 -10.882 -8.939 1.00 0.00 H new ATOM 0 HA ASN A 31 2.107 -10.055 -7.474 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.560 -12.353 -8.251 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.942 -11.884 -9.896 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.090 -12.213 -7.212 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.480 -11.784 -6.625 1.00 0.00 H new ATOM 262 N SER A 32 2.399 -8.697 -10.475 1.00 0.00 N ATOM 263 CA SER A 32 2.544 -7.274 -10.934 1.00 0.00 C ATOM 264 C SER A 32 1.868 -6.166 -10.061 1.00 0.00 C ATOM 265 O SER A 32 2.622 -5.438 -9.425 1.00 0.00 O ATOM 266 CB SER A 32 2.280 -7.142 -12.459 1.00 0.00 C ATOM 267 OG SER A 32 2.121 -5.784 -12.887 1.00 0.00 O ATOM 0 H SER A 32 2.033 -9.324 -11.191 1.00 0.00 H new ATOM 0 HA SER A 32 3.594 -7.043 -10.756 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.108 -7.594 -13.005 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.383 -7.705 -12.716 1.00 0.00 H new ATOM 0 HG SER A 32 2.723 -5.206 -12.373 1.00 0.00 H new ATOM 268 N GLU A 33 0.538 -5.956 -9.990 1.00 0.00 N ATOM 269 CA GLU A 33 -0.001 -4.754 -9.264 1.00 0.00 C ATOM 270 C GLU A 33 0.141 -4.671 -7.739 1.00 0.00 C ATOM 271 O GLU A 33 0.451 -3.607 -7.245 1.00 0.00 O ATOM 272 CB GLU A 33 -1.509 -4.555 -9.406 1.00 0.00 C ATOM 273 CG GLU A 33 -1.935 -3.065 -9.332 1.00 0.00 C ATOM 274 CD GLU A 33 -2.486 -2.523 -8.035 1.00 0.00 C ATOM 275 OE1 GLU A 33 -3.042 -3.188 -7.170 1.00 0.00 O ATOM 276 OE2 GLU A 33 -2.337 -1.174 -7.978 1.00 0.00 O ATOM 0 H GLU A 33 -0.169 -6.565 -10.402 1.00 0.00 H new ATOM 0 HA GLU A 33 0.636 -4.023 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.837 -4.974 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.019 -5.112 -8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.067 -2.461 -9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.687 -2.899 -10.103 1.00 0.00 H new ATOM 277 N LEU A 34 -0.149 -5.728 -6.970 1.00 0.00 N ATOM 278 CA LEU A 34 0.406 -5.912 -5.620 1.00 0.00 C ATOM 279 C LEU A 34 1.909 -5.505 -5.647 1.00 0.00 C ATOM 280 O LEU A 34 2.194 -4.560 -4.943 1.00 0.00 O ATOM 281 CB LEU A 34 0.133 -7.355 -5.109 1.00 0.00 C ATOM 282 CG LEU A 34 -0.372 -7.651 -3.674 1.00 0.00 C ATOM 283 CD1 LEU A 34 0.010 -9.054 -3.165 1.00 0.00 C ATOM 284 CD2 LEU A 34 0.039 -6.685 -2.546 1.00 0.00 C ATOM 0 H LEU A 34 -0.773 -6.479 -7.264 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.087 -5.264 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.594 -7.795 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.063 -7.910 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.442 -7.533 -3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.376 -9.192 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.419 -9.809 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.095 -9.155 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.390 -7.023 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.126 -6.663 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.328 -5.684 -2.773 1.00 0.00 H new ATOM 285 N LEU A 35 2.860 -6.025 -6.476 1.00 0.00 N ATOM 286 CA LEU A 35 4.252 -5.488 -6.418 1.00 0.00 C ATOM 287 C LEU A 35 4.438 -3.996 -6.777 1.00 0.00 C ATOM 288 O LEU A 35 5.164 -3.293 -6.088 1.00 0.00 O ATOM 289 CB LEU A 35 5.282 -6.314 -7.221 1.00 0.00 C ATOM 290 CG LEU A 35 5.901 -7.528 -6.509 1.00 0.00 C ATOM 291 CD1 LEU A 35 7.027 -8.040 -7.400 1.00 0.00 C ATOM 292 CD2 LEU A 35 6.505 -7.107 -5.145 1.00 0.00 C ATOM 0 H LEU A 35 2.704 -6.771 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 35 4.448 -5.584 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.800 -6.664 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.090 -5.648 -7.523 1.00 0.00 H new ATOM 0 HG LEU A 35 5.140 -8.288 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.497 -8.905 -6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.621 -8.328 -8.370 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.769 -7.254 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.939 -7.978 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.280 -6.358 -5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.721 -6.688 -4.514 1.00 0.00 H new ATOM 293 N GLN A 36 3.828 -3.535 -7.857 1.00 0.00 N ATOM 294 CA GLN A 36 3.911 -2.120 -8.292 1.00 0.00 C ATOM 295 C GLN A 36 3.137 -1.151 -7.379 1.00 0.00 C ATOM 296 O GLN A 36 3.707 -0.122 -7.065 1.00 0.00 O ATOM 297 CB GLN A 36 3.488 -1.944 -9.767 1.00 0.00 C ATOM 298 CG GLN A 36 4.531 -2.311 -10.841 1.00 0.00 C ATOM 299 CD GLN A 36 4.712 -3.797 -11.123 1.00 0.00 C ATOM 300 OE1 GLN A 36 4.192 -4.375 -12.071 1.00 0.00 O ATOM 301 NE2 GLN A 36 5.427 -4.473 -10.272 1.00 0.00 N ATOM 0 H GLN A 36 3.257 -4.119 -8.468 1.00 0.00 H new ATOM 0 HA GLN A 36 4.964 -1.853 -8.205 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.597 -2.548 -9.939 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.200 -0.903 -9.915 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.252 -1.817 -11.772 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.494 -1.900 -10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.862 -3.998 -9.481 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.552 -5.478 -10.396 1.00 0.00 H new ATOM 302 N ILE A 37 1.932 -1.453 -6.878 1.00 0.00 N ATOM 303 CA ILE A 37 1.370 -0.758 -5.698 1.00 0.00 C ATOM 304 C ILE A 37 2.191 -0.914 -4.384 1.00 0.00 C ATOM 305 O ILE A 37 2.008 -0.043 -3.581 1.00 0.00 O ATOM 306 CB ILE A 37 -0.136 -1.155 -5.440 1.00 0.00 C ATOM 307 CG1 ILE A 37 -1.001 0.004 -4.891 1.00 0.00 C ATOM 308 CG2 ILE A 37 -0.299 -2.381 -4.521 1.00 0.00 C ATOM 309 CD1 ILE A 37 -2.395 -0.342 -4.336 1.00 0.00 C ATOM 0 H ILE A 37 1.323 -2.173 -7.267 1.00 0.00 H new ATOM 0 HA ILE A 37 1.430 0.296 -5.968 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.501 -1.414 -6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.438 0.496 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.130 0.733 -5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.359 -2.597 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.193 -3.242 -4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.154 -2.172 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.884 0.568 -3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.996 -0.799 -5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.293 -1.040 -3.505 1.00 0.00 H new ATOM 310 N VAL A 38 2.906 -2.002 -4.081 1.00 0.00 N ATOM 311 CA VAL A 38 3.607 -2.274 -2.782 1.00 0.00 C ATOM 312 C VAL A 38 5.029 -1.600 -2.760 1.00 0.00 C ATOM 313 O VAL A 38 5.371 -0.864 -1.839 1.00 0.00 O ATOM 314 CB VAL A 38 3.756 -3.821 -2.627 1.00 0.00 C ATOM 315 CG1 VAL A 38 4.866 -4.501 -1.807 1.00 0.00 C ATOM 316 CG2 VAL A 38 2.445 -4.472 -2.167 1.00 0.00 C ATOM 0 H VAL A 38 3.029 -2.762 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 38 3.025 -1.857 -1.960 1.00 0.00 H new ATOM 0 HB VAL A 38 4.076 -3.995 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.746 -5.583 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.839 -4.223 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.800 -4.179 -0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.588 -5.548 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.151 -4.057 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.663 -4.274 -2.901 1.00 0.00 H new ATOM 317 N GLN A 39 5.856 -1.853 -3.806 1.00 0.00 N ATOM 318 CA GLN A 39 6.959 -0.949 -4.240 1.00 0.00 C ATOM 319 C GLN A 39 6.522 0.549 -4.391 1.00 0.00 C ATOM 320 O GLN A 39 7.211 1.424 -3.863 1.00 0.00 O ATOM 321 CB GLN A 39 7.571 -1.495 -5.566 1.00 0.00 C ATOM 322 CG GLN A 39 8.263 -2.879 -5.501 1.00 0.00 C ATOM 323 CD GLN A 39 8.873 -3.397 -6.804 1.00 0.00 C ATOM 324 OE1 GLN A 39 10.071 -3.611 -6.930 1.00 0.00 O ATOM 325 NE2 GLN A 39 8.074 -3.644 -7.809 1.00 0.00 N ATOM 0 H GLN A 39 5.778 -2.694 -4.377 1.00 0.00 H new ATOM 0 HA GLN A 39 7.712 -0.948 -3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.776 -1.548 -6.310 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.299 -0.769 -5.928 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.052 -2.832 -4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.533 -3.609 -5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.073 -3.471 -7.719 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.452 -4.010 -8.683 1.00 0.00 H new ATOM 326 N ASP A 40 5.329 0.839 -4.960 1.00 0.00 N ATOM 327 CA ASP A 40 4.598 2.098 -4.645 1.00 0.00 C ATOM 328 C ASP A 40 4.400 2.438 -3.146 1.00 0.00 C ATOM 329 O ASP A 40 4.771 3.512 -2.673 1.00 0.00 O ATOM 330 CB ASP A 40 3.331 2.353 -5.478 1.00 0.00 C ATOM 331 CG ASP A 40 2.852 3.779 -5.578 1.00 0.00 C ATOM 332 OD1 ASP A 40 3.132 4.682 -4.804 1.00 0.00 O ATOM 333 OD2 ASP A 40 2.042 3.942 -6.642 1.00 0.00 O ATOM 0 H ASP A 40 4.855 0.233 -5.629 1.00 0.00 H new ATOM 0 HA ASP A 40 5.331 2.829 -4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.510 1.984 -6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.523 1.753 -5.058 1.00 0.00 H new ATOM 334 N ALA A 41 3.760 1.524 -2.434 1.00 0.00 N ATOM 335 CA ALA A 41 3.065 1.832 -1.179 1.00 0.00 C ATOM 336 C ALA A 41 3.953 2.070 0.070 1.00 0.00 C ATOM 337 O ALA A 41 3.637 2.916 0.905 1.00 0.00 O ATOM 338 CB ALA A 41 1.964 0.782 -0.983 1.00 0.00 C ATOM 0 H ALA A 41 3.704 0.542 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 41 2.625 2.824 -1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.428 0.985 -0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.268 0.824 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.412 -0.210 -0.933 1.00 0.00 H new ATOM 566 N PRO B 5 -9.391 -15.657 0.428 1.00 0.00 N ATOM 567 CA PRO B 5 -8.561 -16.446 -0.517 1.00 0.00 C ATOM 568 C PRO B 5 -7.097 -15.954 -0.712 1.00 0.00 C ATOM 569 O PRO B 5 -6.794 -14.759 -0.601 1.00 0.00 O ATOM 570 CB PRO B 5 -9.371 -16.328 -1.821 1.00 0.00 C ATOM 571 CG PRO B 5 -10.021 -14.957 -1.683 1.00 0.00 C ATOM 572 CD PRO B 5 -10.454 -14.893 -0.245 1.00 0.00 C ATOM 0 HA PRO B 5 -8.402 -17.460 -0.149 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -8.732 -16.387 -2.702 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -10.113 -17.122 -1.911 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -9.319 -14.158 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -10.869 -14.849 -2.359 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -10.512 -13.867 0.119 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -11.436 -15.341 -0.094 1.00 0.00 H new ATOM 573 N HIS B 6 -6.243 -16.924 -1.057 1.00 0.00 N ATOM 574 CA HIS B 6 -4.821 -16.699 -1.411 1.00 0.00 C ATOM 575 C HIS B 6 -4.594 -16.088 -2.825 1.00 0.00 C ATOM 576 O HIS B 6 -5.254 -16.462 -3.801 1.00 0.00 O ATOM 577 CB HIS B 6 -4.089 -18.074 -1.298 1.00 0.00 C ATOM 578 CG HIS B 6 -3.854 -18.617 0.111 1.00 0.00 C ATOM 579 ND1 HIS B 6 -4.620 -19.610 0.696 1.00 0.00 N ATOM 580 CD2 HIS B 6 -2.900 -18.135 1.015 1.00 0.00 C ATOM 581 CE1 HIS B 6 -4.043 -19.622 1.942 1.00 0.00 C ATOM 582 NE2 HIS B 6 -2.973 -18.818 2.212 1.00 0.00 N ATOM 0 H HIS B 6 -6.516 -17.906 -1.101 1.00 0.00 H new ATOM 0 HA HIS B 6 -4.422 -15.958 -0.719 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -4.666 -18.813 -1.855 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -3.122 -17.986 -1.793 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -2.202 -17.338 0.805 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -4.437 -20.270 2.711 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -2.397 -18.744 3.051 1.00 0.00 H new ATOM 583 N PHE B 7 -3.465 -15.386 -3.003 1.00 0.00 N ATOM 584 CA PHE B 7 -2.494 -15.838 -4.041 1.00 0.00 C ATOM 585 C PHE B 7 -1.036 -15.911 -3.498 1.00 0.00 C ATOM 586 O PHE B 7 -0.677 -15.285 -2.497 1.00 0.00 O ATOM 587 CB PHE B 7 -2.658 -15.022 -5.350 1.00 0.00 C ATOM 588 CG PHE B 7 -2.083 -13.604 -5.334 1.00 0.00 C ATOM 589 CD1 PHE B 7 -2.766 -12.573 -4.682 1.00 0.00 C ATOM 590 CD2 PHE B 7 -0.831 -13.339 -5.902 1.00 0.00 C ATOM 591 CE1 PHE B 7 -2.261 -11.290 -4.685 1.00 0.00 C ATOM 592 CE2 PHE B 7 -0.313 -12.059 -5.853 1.00 0.00 C ATOM 593 CZ PHE B 7 -1.081 -11.017 -5.372 1.00 0.00 C ATOM 0 H PHE B 7 -3.200 -14.550 -2.482 1.00 0.00 H new ATOM 0 HA PHE B 7 -2.730 -16.869 -4.305 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -2.185 -15.575 -6.161 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -3.721 -14.959 -5.585 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -3.695 -12.783 -4.173 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -0.272 -14.132 -6.377 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.778 -10.502 -4.158 1.00 0.00 H new ATOM 0 HE2 PHE B 7 0.695 -11.873 -6.192 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.768 -9.995 -5.528 1.00 0.00 H new ATOM 594 N ASN B 8 -0.169 -16.632 -4.220 1.00 0.00 N ATOM 595 CA ASN B 8 1.302 -16.553 -4.031 1.00 0.00 C ATOM 596 C ASN B 8 1.916 -15.138 -4.309 1.00 0.00 C ATOM 597 O ASN B 8 2.310 -14.844 -5.442 1.00 0.00 O ATOM 598 CB ASN B 8 1.964 -17.726 -4.810 1.00 0.00 C ATOM 599 CG ASN B 8 1.746 -17.816 -6.326 1.00 0.00 C ATOM 600 OD1 ASN B 8 0.726 -18.303 -6.798 1.00 0.00 O ATOM 601 ND2 ASN B 8 2.664 -17.353 -7.131 1.00 0.00 N ATOM 0 H ASN B 8 -0.455 -17.285 -4.949 1.00 0.00 H new ATOM 0 HA ASN B 8 1.530 -16.679 -2.973 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.038 -17.677 -4.632 1.00 0.00 H new ATOM 0 HB3 ASN B 8 1.610 -18.658 -4.369 1.00 0.00 H new ATOM 0 HD21 ASN B 8 2.527 -17.399 -8.141 1.00 0.00 H new ATOM 0 HD22 ASN B 8 3.518 -16.945 -6.750 1.00 0.00 H new ATOM 602 N PHE B 9 2.062 -14.263 -3.285 1.00 0.00 N ATOM 603 CA PHE B 9 3.089 -13.219 -3.331 1.00 0.00 C ATOM 604 C PHE B 9 4.476 -13.834 -2.954 1.00 0.00 C ATOM 605 O PHE B 9 4.682 -15.018 -2.662 1.00 0.00 O ATOM 606 CB PHE B 9 2.544 -11.990 -2.548 1.00 0.00 C ATOM 607 CG PHE B 9 2.988 -10.612 -3.069 1.00 0.00 C ATOM 608 CD1 PHE B 9 3.008 -10.301 -4.441 1.00 0.00 C ATOM 609 CD2 PHE B 9 3.086 -9.560 -2.154 1.00 0.00 C ATOM 610 CE1 PHE B 9 3.199 -9.001 -4.867 1.00 0.00 C ATOM 611 CE2 PHE B 9 3.306 -8.260 -2.578 1.00 0.00 C ATOM 612 CZ PHE B 9 3.293 -7.985 -3.928 1.00 0.00 C ATOM 0 H PHE B 9 1.491 -14.265 -2.440 1.00 0.00 H new ATOM 0 HA PHE B 9 3.298 -12.816 -4.322 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.455 -12.029 -2.562 1.00 0.00 H new ATOM 0 HB3 PHE B 9 2.853 -12.080 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.873 -11.087 -5.169 1.00 0.00 H new ATOM 0 HD2 PHE B 9 2.988 -9.764 -1.098 1.00 0.00 H new ATOM 0 HE1 PHE B 9 3.274 -8.778 -5.921 1.00 0.00 H new ATOM 0 HE2 PHE B 9 3.485 -7.473 -1.861 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.357 -6.960 -4.261 1.00 0.00 H new ATOM 613 N ARG B 10 5.464 -13.043 -3.283 1.00 0.00 N ATOM 614 CA ARG B 10 6.589 -13.444 -4.162 1.00 0.00 C ATOM 615 C ARG B 10 7.230 -12.104 -4.616 1.00 0.00 C ATOM 616 O ARG B 10 6.675 -11.373 -5.446 1.00 0.00 O ATOM 617 CB ARG B 10 6.199 -14.347 -5.378 1.00 0.00 C ATOM 618 CG ARG B 10 7.354 -15.217 -5.889 1.00 0.00 C ATOM 619 CD ARG B 10 8.432 -14.499 -6.709 1.00 0.00 C ATOM 620 NE ARG B 10 8.093 -14.444 -8.157 1.00 0.00 N ATOM 621 CZ ARG B 10 7.623 -13.392 -8.815 1.00 0.00 C ATOM 622 NH1 ARG B 10 7.415 -12.222 -8.294 1.00 0.00 N ATOM 623 NH2 ARG B 10 7.353 -13.554 -10.060 1.00 0.00 N ATOM 0 H ARG B 10 5.533 -12.080 -2.954 1.00 0.00 H new ATOM 0 HA ARG B 10 7.277 -14.086 -3.611 1.00 0.00 H new ATOM 0 HB2 ARG B 10 5.369 -14.992 -5.090 1.00 0.00 H new ATOM 0 HB3 ARG B 10 5.844 -13.714 -6.191 1.00 0.00 H new ATOM 0 HG2 ARG B 10 7.834 -15.688 -5.031 1.00 0.00 H new ATOM 0 HG3 ARG B 10 6.936 -16.017 -6.499 1.00 0.00 H new ATOM 0 HD2 ARG B 10 8.560 -13.486 -6.329 1.00 0.00 H new ATOM 0 HD3 ARG B 10 9.386 -15.011 -6.580 1.00 0.00 H new ATOM 0 HE ARG B 10 8.236 -15.298 -8.696 1.00 0.00 H new ATOM 0 HH11 ARG B 10 7.616 -12.060 -7.307 1.00 0.00 H new ATOM 0 HH12 ARG B 10 7.051 -11.464 -8.871 1.00 0.00 H new ATOM 0 HH21 ARG B 10 7.502 -14.462 -10.500 1.00 0.00 H new ATOM 0 HH22 ARG B 10 6.989 -12.775 -10.609 1.00 0.00 H new ATOM 624 N MET B 11 8.369 -11.757 -4.019 1.00 0.00 N ATOM 625 CA MET B 11 8.846 -10.353 -3.994 1.00 0.00 C ATOM 626 C MET B 11 10.397 -10.286 -4.210 1.00 0.00 C ATOM 627 O MET B 11 11.113 -10.957 -3.453 1.00 0.00 O ATOM 628 CB MET B 11 8.476 -9.762 -2.607 1.00 0.00 C ATOM 629 CG MET B 11 7.003 -9.481 -2.249 1.00 0.00 C ATOM 630 SD MET B 11 6.338 -10.941 -1.430 1.00 0.00 S ATOM 631 CE MET B 11 5.315 -10.227 -0.145 1.00 0.00 C ATOM 0 H MET B 11 8.985 -12.417 -3.545 1.00 0.00 H new ATOM 0 HA MET B 11 8.379 -9.784 -4.798 1.00 0.00 H new ATOM 0 HB2 MET B 11 8.867 -10.443 -1.851 1.00 0.00 H new ATOM 0 HB3 MET B 11 9.019 -8.823 -2.501 1.00 0.00 H new ATOM 0 HG2 MET B 11 6.929 -8.611 -1.596 1.00 0.00 H new ATOM 0 HG3 MET B 11 6.429 -9.254 -3.148 1.00 0.00 H new ATOM 0 HE1 MET B 11 4.385 -10.790 -0.066 1.00 0.00 H new ATOM 0 HE2 MET B 11 5.845 -10.267 0.806 1.00 0.00 H new ATOM 0 HE3 MET B 11 5.092 -9.189 -0.392 1.00 0.00 H new ATOM 632 N PRO B 12 11.003 -9.484 -5.143 1.00 0.00 N ATOM 633 CA PRO B 12 12.476 -9.274 -5.165 1.00 0.00 C ATOM 634 C PRO B 12 13.052 -8.654 -3.852 1.00 0.00 C ATOM 635 O PRO B 12 12.327 -8.059 -3.042 1.00 0.00 O ATOM 636 CB PRO B 12 12.698 -8.503 -6.479 1.00 0.00 C ATOM 637 CG PRO B 12 11.364 -7.833 -6.809 1.00 0.00 C ATOM 638 CD PRO B 12 10.289 -8.726 -6.185 1.00 0.00 C ATOM 0 HA PRO B 12 13.057 -10.196 -5.167 1.00 0.00 H new ATOM 0 HB2 PRO B 12 13.489 -7.762 -6.367 1.00 0.00 H new ATOM 0 HB3 PRO B 12 13.004 -9.177 -7.279 1.00 0.00 H new ATOM 0 HG2 PRO B 12 11.321 -6.824 -6.400 1.00 0.00 H new ATOM 0 HG3 PRO B 12 11.225 -7.747 -7.887 1.00 0.00 H new ATOM 0 HD2 PRO B 12 9.478 -8.134 -5.761 1.00 0.00 H new ATOM 0 HD3 PRO B 12 9.845 -9.391 -6.926 1.00 0.00 H new ATOM 639 N MET B 13 14.337 -8.935 -3.569 1.00 0.00 N ATOM 640 CA MET B 13 14.859 -8.903 -2.168 1.00 0.00 C ATOM 641 C MET B 13 14.712 -7.558 -1.386 1.00 0.00 C ATOM 642 O MET B 13 14.392 -7.574 -0.198 1.00 0.00 O ATOM 643 CB MET B 13 16.302 -9.479 -2.114 1.00 0.00 C ATOM 644 CG MET B 13 16.943 -9.652 -0.710 1.00 0.00 C ATOM 645 SD MET B 13 16.583 -11.223 0.122 1.00 0.00 S ATOM 646 CE MET B 13 14.792 -11.287 0.250 1.00 0.00 C ATOM 0 H MET B 13 15.033 -9.184 -4.272 1.00 0.00 H new ATOM 0 HA MET B 13 14.186 -9.554 -1.610 1.00 0.00 H new ATOM 0 HB2 MET B 13 16.296 -10.452 -2.605 1.00 0.00 H new ATOM 0 HB3 MET B 13 16.948 -8.828 -2.703 1.00 0.00 H new ATOM 0 HG2 MET B 13 18.024 -9.552 -0.808 1.00 0.00 H new ATOM 0 HG3 MET B 13 16.604 -8.836 -0.072 1.00 0.00 H new ATOM 0 HE1 MET B 13 14.506 -12.047 0.978 1.00 0.00 H new ATOM 0 HE2 MET B 13 14.415 -10.316 0.572 1.00 0.00 H new ATOM 0 HE3 MET B 13 14.366 -11.537 -0.722 1.00 0.00 H new ATOM 647 N GLU B 14 14.862 -6.411 -2.057 1.00 0.00 N ATOM 648 CA GLU B 14 14.445 -5.106 -1.497 1.00 0.00 C ATOM 649 C GLU B 14 12.934 -4.935 -1.136 1.00 0.00 C ATOM 650 O GLU B 14 12.680 -4.436 -0.052 1.00 0.00 O ATOM 651 CB GLU B 14 15.020 -3.967 -2.387 1.00 0.00 C ATOM 652 CG GLU B 14 14.434 -3.817 -3.821 1.00 0.00 C ATOM 653 CD GLU B 14 15.030 -4.745 -4.877 1.00 0.00 C ATOM 654 OE1 GLU B 14 14.606 -5.876 -5.098 1.00 0.00 O ATOM 655 OE2 GLU B 14 16.092 -4.182 -5.519 1.00 0.00 O ATOM 0 H GLU B 14 15.269 -6.352 -2.990 1.00 0.00 H new ATOM 0 HA GLU B 14 14.882 -5.050 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU B 14 14.874 -3.023 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.096 -4.119 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU B 14 13.359 -3.991 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU B 14 14.576 -2.787 -4.146 1.00 0.00 H new ATOM 656 N VAL B 15 11.929 -5.340 -1.932 1.00 0.00 N ATOM 657 CA VAL B 15 10.490 -5.309 -1.504 1.00 0.00 C ATOM 658 C VAL B 15 10.209 -6.233 -0.306 1.00 0.00 C ATOM 659 O VAL B 15 9.496 -5.800 0.582 1.00 0.00 O ATOM 660 CB VAL B 15 9.476 -5.702 -2.634 1.00 0.00 C ATOM 661 CG1 VAL B 15 8.176 -4.894 -2.516 1.00 0.00 C ATOM 662 CG2 VAL B 15 9.976 -5.623 -4.093 1.00 0.00 C ATOM 0 H VAL B 15 12.071 -5.695 -2.878 1.00 0.00 H new ATOM 0 HA VAL B 15 10.335 -4.265 -1.232 1.00 0.00 H new ATOM 0 HB VAL B 15 9.318 -6.764 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL B 15 7.492 -5.187 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.713 -5.089 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.399 -3.831 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.175 -5.921 -4.769 1.00 0.00 H new ATOM 0 HG22 VAL B 15 10.279 -4.601 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.827 -6.291 -4.223 1.00 0.00 H new ATOM 663 N ARG B 16 10.677 -7.485 -0.279 1.00 0.00 N ATOM 664 CA ARG B 16 10.453 -8.347 0.902 1.00 0.00 C ATOM 665 C ARG B 16 11.345 -8.064 2.136 1.00 0.00 C ATOM 666 O ARG B 16 10.831 -8.223 3.235 1.00 0.00 O ATOM 667 CB ARG B 16 10.376 -9.828 0.475 1.00 0.00 C ATOM 668 CG ARG B 16 9.141 -10.548 1.094 1.00 0.00 C ATOM 669 CD ARG B 16 9.617 -11.429 2.249 1.00 0.00 C ATOM 670 NE ARG B 16 8.501 -12.105 2.950 1.00 0.00 N ATOM 671 CZ ARG B 16 8.608 -13.253 3.617 1.00 0.00 C ATOM 672 NH1 ARG B 16 9.671 -14.002 3.636 1.00 0.00 N ATOM 673 NH2 ARG B 16 7.597 -13.643 4.305 1.00 0.00 N ATOM 0 H ARG B 16 11.201 -7.922 -1.037 1.00 0.00 H new ATOM 0 HA ARG B 16 9.478 -8.068 1.302 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.325 -9.890 -0.612 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.287 -10.342 0.781 1.00 0.00 H new ATOM 0 HG2 ARG B 16 8.416 -9.816 1.451 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.638 -11.153 0.339 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.308 -12.180 1.867 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.172 -10.818 2.962 1.00 0.00 H new ATOM 0 HE ARG B 16 7.584 -11.659 2.920 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.502 -13.722 3.114 1.00 0.00 H new ATOM 0 HH12 ARG B 16 9.674 -14.869 4.173 1.00 0.00 H new ATOM 0 HH21 ARG B 16 6.748 -13.079 4.328 1.00 0.00 H new ATOM 0 HH22 ARG B 16 7.643 -14.517 4.829 1.00 0.00 H new ATOM 674 N GLU B 17 12.576 -7.534 2.039 1.00 0.00 N ATOM 675 CA GLU B 17 13.176 -6.819 3.201 1.00 0.00 C ATOM 676 C GLU B 17 12.453 -5.480 3.556 1.00 0.00 C ATOM 677 O GLU B 17 12.180 -5.276 4.729 1.00 0.00 O ATOM 678 CB GLU B 17 14.688 -6.595 3.007 1.00 0.00 C ATOM 679 CG GLU B 17 15.573 -7.864 3.112 1.00 0.00 C ATOM 680 CD GLU B 17 17.068 -7.576 3.214 1.00 0.00 C ATOM 681 OE1 GLU B 17 17.407 -7.025 4.411 1.00 0.00 O ATOM 682 OE2 GLU B 17 17.881 -7.824 2.330 1.00 0.00 O ATOM 0 H GLU B 17 13.164 -7.578 1.207 1.00 0.00 H new ATOM 0 HA GLU B 17 13.030 -7.478 4.057 1.00 0.00 H new ATOM 0 HB2 GLU B 17 14.847 -6.143 2.028 1.00 0.00 H new ATOM 0 HB3 GLU B 17 15.028 -5.874 3.750 1.00 0.00 H new ATOM 0 HG2 GLU B 17 15.264 -8.438 3.986 1.00 0.00 H new ATOM 0 HG3 GLU B 17 15.394 -8.492 2.239 1.00 0.00 H new ATOM 683 N LYS B 18 12.085 -4.591 2.619 1.00 0.00 N ATOM 684 CA LYS B 18 11.233 -3.406 2.920 1.00 0.00 C ATOM 685 C LYS B 18 9.838 -3.738 3.532 1.00 0.00 C ATOM 686 O LYS B 18 9.556 -3.257 4.622 1.00 0.00 O ATOM 687 CB LYS B 18 11.189 -2.420 1.736 1.00 0.00 C ATOM 688 CG LYS B 18 12.501 -1.693 1.332 1.00 0.00 C ATOM 689 CD LYS B 18 12.390 -0.768 0.094 1.00 0.00 C ATOM 690 CE LYS B 18 12.037 -1.458 -1.233 1.00 0.00 C ATOM 691 NZ LYS B 18 12.078 -0.492 -2.348 1.00 0.00 N ATOM 0 H LYS B 18 12.361 -4.663 1.640 1.00 0.00 H new ATOM 0 HA LYS B 18 11.731 -2.884 3.738 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.829 -2.965 0.863 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.444 -1.658 1.966 1.00 0.00 H new ATOM 0 HG2 LYS B 18 12.844 -1.099 2.179 1.00 0.00 H new ATOM 0 HG3 LYS B 18 13.268 -2.443 1.137 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.634 -0.010 0.298 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.339 -0.247 -0.032 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.737 -2.271 -1.424 1.00 0.00 H new ATOM 0 HE3 LYS B 18 11.044 -1.902 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.837 -0.976 -3.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 11.393 0.270 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.033 -0.088 -2.422 1.00 0.00 H new ATOM 692 N LEU B 19 9.008 -4.576 2.900 1.00 0.00 N ATOM 693 CA LEU B 19 7.688 -5.030 3.413 1.00 0.00 C ATOM 694 C LEU B 19 7.741 -5.869 4.730 1.00 0.00 C ATOM 695 O LEU B 19 6.850 -5.740 5.570 1.00 0.00 O ATOM 696 CB LEU B 19 6.962 -5.666 2.183 1.00 0.00 C ATOM 697 CG LEU B 19 5.417 -5.742 2.168 1.00 0.00 C ATOM 698 CD1 LEU B 19 4.659 -4.404 2.248 1.00 0.00 C ATOM 699 CD2 LEU B 19 5.026 -6.524 0.891 1.00 0.00 C ATOM 0 H LEU B 19 9.233 -4.975 1.989 1.00 0.00 H new ATOM 0 HA LEU B 19 7.092 -4.198 3.789 1.00 0.00 H new ATOM 0 HB2 LEU B 19 7.271 -5.110 1.298 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.340 -6.682 2.069 1.00 0.00 H new ATOM 0 HG LEU B 19 5.111 -6.240 3.088 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.586 -4.592 2.229 1.00 0.00 H new ATOM 0 HD12 LEU B 19 4.921 -3.892 3.174 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.933 -3.779 1.398 1.00 0.00 H new ATOM 0 HD21 LEU B 19 3.941 -6.606 0.833 1.00 0.00 H new ATOM 0 HD22 LEU B 19 5.398 -5.996 0.013 1.00 0.00 H new ATOM 0 HD23 LEU B 19 5.464 -7.522 0.927 1.00 0.00 H new ATOM 700 N LYS B 20 8.772 -6.711 4.920 1.00 0.00 N ATOM 701 CA LYS B 20 8.984 -7.495 6.144 1.00 0.00 C ATOM 702 C LYS B 20 9.805 -6.748 7.257 1.00 0.00 C ATOM 703 O LYS B 20 9.660 -7.113 8.416 1.00 0.00 O ATOM 704 CB LYS B 20 9.650 -8.829 5.765 1.00 0.00 C ATOM 705 CG LYS B 20 9.508 -9.967 6.793 1.00 0.00 C ATOM 706 CD LYS B 20 10.293 -11.259 6.468 1.00 0.00 C ATOM 707 CE LYS B 20 11.619 -11.083 5.710 1.00 0.00 C ATOM 708 NZ LYS B 20 12.335 -12.368 5.617 1.00 0.00 N ATOM 0 H LYS B 20 9.492 -6.867 4.214 1.00 0.00 H new ATOM 0 HA LYS B 20 8.005 -7.666 6.592 1.00 0.00 H new ATOM 0 HB2 LYS B 20 9.230 -9.167 4.818 1.00 0.00 H new ATOM 0 HB3 LYS B 20 10.712 -8.648 5.596 1.00 0.00 H new ATOM 0 HG2 LYS B 20 9.836 -9.598 7.765 1.00 0.00 H new ATOM 0 HG3 LYS B 20 8.452 -10.218 6.887 1.00 0.00 H new ATOM 0 HD2 LYS B 20 10.501 -11.776 7.404 1.00 0.00 H new ATOM 0 HD3 LYS B 20 9.648 -11.912 5.880 1.00 0.00 H new ATOM 0 HE2 LYS B 20 11.424 -10.695 4.710 1.00 0.00 H new ATOM 0 HE3 LYS B 20 12.242 -10.349 6.221 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 13.228 -12.231 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 12.537 -12.723 6.573 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 11.745 -13.058 5.110 1.00 0.00 H new ATOM 709 N PHE B 21 10.643 -5.725 6.967 1.00 0.00 N ATOM 710 CA PHE B 21 11.013 -4.657 7.940 1.00 0.00 C ATOM 711 C PHE B 21 9.789 -3.828 8.320 1.00 0.00 C ATOM 712 O PHE B 21 9.334 -4.056 9.416 1.00 0.00 O ATOM 713 CB PHE B 21 12.141 -3.709 7.447 1.00 0.00 C ATOM 714 CG PHE B 21 13.553 -4.265 7.480 1.00 0.00 C ATOM 715 CD1 PHE B 21 14.035 -5.008 8.559 1.00 0.00 C ATOM 716 CD2 PHE B 21 14.372 -4.032 6.380 1.00 0.00 C ATOM 717 CE1 PHE B 21 15.282 -5.605 8.484 1.00 0.00 C ATOM 718 CE2 PHE B 21 15.623 -4.620 6.305 1.00 0.00 C ATOM 719 CZ PHE B 21 16.084 -5.419 7.355 1.00 0.00 C ATOM 0 H PHE B 21 11.084 -5.612 6.054 1.00 0.00 H new ATOM 0 HA PHE B 21 11.404 -5.185 8.810 1.00 0.00 H new ATOM 0 HB2 PHE B 21 11.915 -3.412 6.423 1.00 0.00 H new ATOM 0 HB3 PHE B 21 12.116 -2.804 8.054 1.00 0.00 H new ATOM 0 HD1 PHE B 21 13.436 -5.117 9.451 1.00 0.00 H new ATOM 0 HD2 PHE B 21 14.031 -3.390 5.581 1.00 0.00 H new ATOM 0 HE1 PHE B 21 15.636 -6.216 9.301 1.00 0.00 H new ATOM 0 HE2 PHE B 21 16.243 -4.461 5.435 1.00 0.00 H new ATOM 0 HZ PHE B 21 17.054 -5.890 7.294 1.00 0.00 H new ATOM 720 N ARG B 22 9.182 -2.958 7.511 1.00 0.00 N ATOM 721 CA ARG B 22 7.770 -2.477 7.699 1.00 0.00 C ATOM 722 C ARG B 22 6.863 -3.391 8.643 1.00 0.00 C ATOM 723 O ARG B 22 6.557 -2.979 9.760 1.00 0.00 O ATOM 724 CB ARG B 22 7.386 -2.155 6.213 1.00 0.00 C ATOM 725 CG ARG B 22 6.196 -1.293 5.746 1.00 0.00 C ATOM 726 CD ARG B 22 5.953 0.034 6.485 1.00 0.00 C ATOM 727 NE ARG B 22 5.785 1.154 5.522 1.00 0.00 N ATOM 728 CZ ARG B 22 6.780 1.926 5.077 1.00 0.00 C ATOM 729 NH1 ARG B 22 8.028 1.793 5.413 1.00 0.00 N ATOM 730 NH2 ARG B 22 6.494 2.867 4.255 1.00 0.00 N ATOM 0 H ARG B 22 9.640 -2.552 6.695 1.00 0.00 H new ATOM 0 HA ARG B 22 7.608 -1.594 8.317 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.271 -1.695 5.774 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.256 -3.122 5.728 1.00 0.00 H new ATOM 0 HG2 ARG B 22 6.336 -1.069 4.688 1.00 0.00 H new ATOM 0 HG3 ARG B 22 5.291 -1.895 5.827 1.00 0.00 H new ATOM 0 HD2 ARG B 22 5.064 -0.050 7.110 1.00 0.00 H new ATOM 0 HD3 ARG B 22 6.791 0.243 7.150 1.00 0.00 H new ATOM 0 HE ARG B 22 4.845 1.346 5.177 1.00 0.00 H new ATOM 0 HH11 ARG B 22 8.306 1.057 6.062 1.00 0.00 H new ATOM 0 HH12 ARG B 22 8.730 2.425 5.028 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.528 3.009 3.959 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.232 3.473 3.897 1.00 0.00 H new ATOM 731 N ALA B 23 6.762 -4.722 8.409 1.00 0.00 N ATOM 732 CA ALA B 23 6.437 -5.718 9.481 1.00 0.00 C ATOM 733 C ALA B 23 7.327 -5.799 10.791 1.00 0.00 C ATOM 734 O ALA B 23 6.913 -5.301 11.840 1.00 0.00 O ATOM 735 CB ALA B 23 6.120 -7.034 8.734 1.00 0.00 C ATOM 0 H ALA B 23 6.900 -5.140 7.489 1.00 0.00 H new ATOM 0 HA ALA B 23 5.574 -5.360 10.042 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.872 -7.812 9.456 1.00 0.00 H new ATOM 0 HB2 ALA B 23 5.274 -6.878 8.065 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.990 -7.342 8.154 1.00 0.00 H new ATOM 736 N GLU B 24 8.513 -6.415 10.757 1.00 0.00 N ATOM 737 CA GLU B 24 9.435 -6.583 11.931 1.00 0.00 C ATOM 738 C GLU B 24 10.156 -5.317 12.534 1.00 0.00 C ATOM 739 O GLU B 24 10.327 -5.229 13.750 1.00 0.00 O ATOM 740 CB GLU B 24 10.471 -7.693 11.576 1.00 0.00 C ATOM 741 CG GLU B 24 9.930 -9.116 11.249 1.00 0.00 C ATOM 742 CD GLU B 24 9.178 -9.813 12.381 1.00 0.00 C ATOM 743 OE1 GLU B 24 7.844 -9.549 12.359 1.00 0.00 O ATOM 744 OE2 GLU B 24 9.712 -10.534 13.216 1.00 0.00 O ATOM 0 H GLU B 24 8.885 -6.827 9.902 1.00 0.00 H new ATOM 0 HA GLU B 24 8.769 -6.849 12.752 1.00 0.00 H new ATOM 0 HB2 GLU B 24 11.049 -7.349 10.718 1.00 0.00 H new ATOM 0 HB3 GLU B 24 11.165 -7.783 12.412 1.00 0.00 H new ATOM 0 HG2 GLU B 24 9.267 -9.044 10.387 1.00 0.00 H new ATOM 0 HG3 GLU B 24 10.770 -9.745 10.953 1.00 0.00 H new ATOM 745 N ALA B 25 10.569 -4.349 11.703 1.00 0.00 N ATOM 746 CA ALA B 25 10.752 -2.921 12.088 1.00 0.00 C ATOM 747 C ALA B 25 9.626 -2.286 12.997 1.00 0.00 C ATOM 748 O ALA B 25 9.956 -1.646 13.998 1.00 0.00 O ATOM 749 CB ALA B 25 10.834 -2.054 10.809 1.00 0.00 C ATOM 0 H ALA B 25 10.792 -4.529 10.724 1.00 0.00 H new ATOM 0 HA ALA B 25 11.665 -2.926 12.683 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.968 -1.008 11.086 1.00 0.00 H new ATOM 0 HB2 ALA B 25 11.679 -2.380 10.202 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.913 -2.162 10.236 1.00 0.00 H new ATOM 750 N ASN B 26 8.320 -2.428 12.635 1.00 0.00 N ATOM 751 CA ASN B 26 7.200 -1.873 13.452 1.00 0.00 C ATOM 752 C ASN B 26 6.773 -2.779 14.663 1.00 0.00 C ATOM 753 O ASN B 26 6.682 -2.318 15.801 1.00 0.00 O ATOM 754 CB ASN B 26 5.979 -1.585 12.522 1.00 0.00 C ATOM 755 CG ASN B 26 6.142 -0.667 11.304 1.00 0.00 C ATOM 756 OD1 ASN B 26 7.202 -0.194 10.912 1.00 0.00 O ATOM 757 ND2 ASN B 26 5.111 -0.558 10.521 1.00 0.00 N ATOM 0 H ASN B 26 8.018 -2.917 11.792 1.00 0.00 H new ATOM 0 HA ASN B 26 7.567 -0.950 13.902 1.00 0.00 H new ATOM 0 HB2 ASN B 26 5.616 -2.546 12.157 1.00 0.00 H new ATOM 0 HB3 ASN B 26 5.191 -1.161 13.144 1.00 0.00 H new ATOM 0 HD21 ASN B 26 5.203 -0.092 9.618 1.00 0.00 H new ATOM 0 HD22 ASN B 26 4.209 -0.938 10.809 1.00 0.00 H new ATOM 758 N GLY B 27 6.449 -4.050 14.389 1.00 0.00 N ATOM 759 CA GLY B 27 5.501 -4.860 15.219 1.00 0.00 C ATOM 760 C GLY B 27 4.182 -5.346 14.550 1.00 0.00 C ATOM 761 O GLY B 27 3.213 -5.646 15.247 1.00 0.00 O ATOM 0 H GLY B 27 6.828 -4.559 13.590 1.00 0.00 H new ATOM 0 HA2 GLY B 27 6.037 -5.738 15.579 1.00 0.00 H new ATOM 0 HA3 GLY B 27 5.234 -4.269 16.095 1.00 0.00 H new ATOM 762 N ARG B 28 4.137 -5.469 13.217 1.00 0.00 N ATOM 763 CA ARG B 28 3.022 -6.099 12.456 1.00 0.00 C ATOM 764 C ARG B 28 3.712 -7.311 11.714 1.00 0.00 C ATOM 765 O ARG B 28 4.935 -7.374 11.569 1.00 0.00 O ATOM 766 CB ARG B 28 2.315 -4.932 11.688 1.00 0.00 C ATOM 767 CG ARG B 28 1.703 -3.748 12.513 1.00 0.00 C ATOM 768 CD ARG B 28 0.889 -2.651 11.769 1.00 0.00 C ATOM 769 NE ARG B 28 1.686 -1.827 10.814 1.00 0.00 N ATOM 770 CZ ARG B 28 1.249 -0.766 10.135 1.00 0.00 C ATOM 771 NH1 ARG B 28 0.058 -0.276 10.222 1.00 0.00 N ATOM 772 NH2 ARG B 28 2.061 -0.170 9.341 1.00 0.00 N ATOM 0 H ARG B 28 4.886 -5.129 12.614 1.00 0.00 H new ATOM 0 HA ARG B 28 2.180 -6.559 12.972 1.00 0.00 H new ATOM 0 HB2 ARG B 28 3.039 -4.509 10.991 1.00 0.00 H new ATOM 0 HB3 ARG B 28 1.514 -5.367 11.091 1.00 0.00 H new ATOM 0 HG2 ARG B 28 1.054 -4.179 13.275 1.00 0.00 H new ATOM 0 HG3 ARG B 28 2.522 -3.253 13.035 1.00 0.00 H new ATOM 0 HD2 ARG B 28 0.074 -3.128 11.225 1.00 0.00 H new ATOM 0 HD3 ARG B 28 0.435 -1.990 12.508 1.00 0.00 H new ATOM 0 HE ARG B 28 2.657 -2.101 10.667 1.00 0.00 H new ATOM 0 HH11 ARG B 28 -0.626 -0.705 10.845 1.00 0.00 H new ATOM 0 HH12 ARG B 28 -0.199 0.541 9.667 1.00 0.00 H new ATOM 0 HH21 ARG B 28 3.017 -0.510 9.240 1.00 0.00 H new ATOM 0 HH22 ARG B 28 1.750 0.644 8.810 1.00 0.00 H new ATOM 773 N SER B 29 3.002 -8.379 11.331 1.00 0.00 N ATOM 774 CA SER B 29 3.668 -9.660 10.900 1.00 0.00 C ATOM 775 C SER B 29 3.179 -9.982 9.477 1.00 0.00 C ATOM 776 O SER B 29 1.992 -10.245 9.355 1.00 0.00 O ATOM 777 CB SER B 29 3.383 -10.777 11.936 1.00 0.00 C ATOM 778 OG SER B 29 2.000 -11.137 12.002 1.00 0.00 O ATOM 0 H SER B 29 1.983 -8.404 11.303 1.00 0.00 H new ATOM 0 HA SER B 29 4.754 -9.568 10.866 1.00 0.00 H new ATOM 0 HB2 SER B 29 3.971 -11.659 11.682 1.00 0.00 H new ATOM 0 HB3 SER B 29 3.714 -10.446 12.920 1.00 0.00 H new ATOM 0 HG SER B 29 1.602 -11.070 11.109 1.00 0.00 H new ATOM 779 N MET B 30 3.974 -9.858 8.399 1.00 0.00 N ATOM 780 CA MET B 30 3.496 -9.261 7.109 1.00 0.00 C ATOM 781 C MET B 30 2.075 -9.610 6.596 1.00 0.00 C ATOM 782 O MET B 30 1.360 -8.686 6.266 1.00 0.00 O ATOM 783 CB MET B 30 4.419 -9.591 5.927 1.00 0.00 C ATOM 784 CG MET B 30 5.831 -9.077 5.919 1.00 0.00 C ATOM 785 SD MET B 30 6.735 -9.985 4.648 1.00 0.00 S ATOM 786 CE MET B 30 6.790 -8.719 3.384 1.00 0.00 C ATOM 0 H MET B 30 4.949 -10.158 8.381 1.00 0.00 H new ATOM 0 HA MET B 30 3.492 -8.213 7.410 1.00 0.00 H new ATOM 0 HB2 MET B 30 4.467 -10.677 5.845 1.00 0.00 H new ATOM 0 HB3 MET B 30 3.934 -9.224 5.023 1.00 0.00 H new ATOM 0 HG2 MET B 30 5.848 -8.007 5.710 1.00 0.00 H new ATOM 0 HG3 MET B 30 6.296 -9.219 6.895 1.00 0.00 H new ATOM 0 HE1 MET B 30 6.338 -9.099 2.468 1.00 0.00 H new ATOM 0 HE2 MET B 30 6.239 -7.842 3.724 1.00 0.00 H new ATOM 0 HE3 MET B 30 7.827 -8.444 3.189 1.00 0.00 H new ATOM 787 N ASN B 31 1.551 -10.838 6.557 1.00 0.00 N ATOM 788 CA ASN B 31 0.082 -11.000 6.316 1.00 0.00 C ATOM 789 C ASN B 31 -0.852 -10.073 7.228 1.00 0.00 C ATOM 790 O ASN B 31 -1.652 -9.322 6.680 1.00 0.00 O ATOM 791 CB ASN B 31 -0.316 -12.497 6.236 1.00 0.00 C ATOM 792 CG ASN B 31 -1.318 -12.821 5.128 1.00 0.00 C ATOM 793 OD1 ASN B 31 -1.047 -13.592 4.219 1.00 0.00 O ATOM 794 ND2 ASN B 31 -2.461 -12.192 5.105 1.00 0.00 N ATOM 0 H ASN B 31 2.075 -11.705 6.680 1.00 0.00 H new ATOM 0 HA ASN B 31 -0.124 -10.594 5.325 1.00 0.00 H new ATOM 0 HB2 ASN B 31 0.584 -13.093 6.082 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -0.739 -12.800 7.193 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -3.113 -12.347 4.336 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -2.702 -11.545 5.856 1.00 0.00 H new ATOM 795 N SER B 32 -0.572 -9.948 8.542 1.00 0.00 N ATOM 796 CA SER B 32 -0.791 -8.683 9.334 1.00 0.00 C ATOM 797 C SER B 32 -0.184 -7.331 8.829 1.00 0.00 C ATOM 798 O SER B 32 -0.976 -6.427 8.555 1.00 0.00 O ATOM 799 CB SER B 32 -0.562 -8.956 10.838 1.00 0.00 C ATOM 800 OG SER B 32 -1.496 -9.914 11.335 1.00 0.00 O ATOM 0 H SER B 32 -0.187 -10.711 9.099 1.00 0.00 H new ATOM 0 HA SER B 32 -1.838 -8.450 9.141 1.00 0.00 H new ATOM 0 HB2 SER B 32 0.454 -9.319 10.994 1.00 0.00 H new ATOM 0 HB3 SER B 32 -0.658 -8.026 11.398 1.00 0.00 H new ATOM 0 HG SER B 32 -1.329 -10.070 12.288 1.00 0.00 H new ATOM 801 N GLU B 33 1.139 -7.105 8.708 1.00 0.00 N ATOM 802 CA GLU B 33 1.640 -5.766 8.242 1.00 0.00 C ATOM 803 C GLU B 33 1.418 -5.358 6.773 1.00 0.00 C ATOM 804 O GLU B 33 0.913 -4.269 6.536 1.00 0.00 O ATOM 805 CB GLU B 33 3.139 -5.576 8.428 1.00 0.00 C ATOM 806 CG GLU B 33 3.489 -4.069 8.570 1.00 0.00 C ATOM 807 CD GLU B 33 3.779 -3.286 7.308 1.00 0.00 C ATOM 808 OE1 GLU B 33 4.059 -3.783 6.221 1.00 0.00 O ATOM 809 OE2 GLU B 33 3.686 -1.953 7.531 1.00 0.00 O ATOM 0 H GLU B 33 1.866 -7.791 8.913 1.00 0.00 H new ATOM 0 HA GLU B 33 1.014 -5.148 8.885 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.472 -6.117 9.314 1.00 0.00 H new ATOM 0 HB3 GLU B 33 3.672 -6.000 7.577 1.00 0.00 H new ATOM 0 HG2 GLU B 33 2.661 -3.581 9.083 1.00 0.00 H new ATOM 0 HG3 GLU B 33 4.360 -3.988 9.221 1.00 0.00 H new ATOM 810 N LEU B 34 1.855 -6.177 5.792 1.00 0.00 N ATOM 811 CA LEU B 34 1.377 -6.127 4.398 1.00 0.00 C ATOM 812 C LEU B 34 -0.139 -5.786 4.402 1.00 0.00 C ATOM 813 O LEU B 34 -0.453 -4.761 3.828 1.00 0.00 O ATOM 814 CB LEU B 34 1.723 -7.470 3.681 1.00 0.00 C ATOM 815 CG LEU B 34 2.187 -7.461 2.209 1.00 0.00 C ATOM 816 CD1 LEU B 34 2.039 -8.774 1.419 1.00 0.00 C ATOM 817 CD2 LEU B 34 1.547 -6.393 1.316 1.00 0.00 C ATOM 0 H LEU B 34 2.558 -6.899 5.950 1.00 0.00 H new ATOM 0 HA LEU B 34 1.877 -5.343 3.830 1.00 0.00 H new ATOM 0 HB2 LEU B 34 2.504 -7.957 4.264 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.839 -8.105 3.739 1.00 0.00 H new ATOM 0 HG LEU B 34 3.241 -7.252 2.393 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.402 -8.629 0.401 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.621 -9.558 1.904 1.00 0.00 H new ATOM 0 HD13 LEU B 34 0.989 -9.066 1.392 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.945 -6.478 0.305 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.467 -6.537 1.294 1.00 0.00 H new ATOM 0 HD23 LEU B 34 1.773 -5.403 1.713 1.00 0.00 H new ATOM 818 N LEU B 35 -1.069 -6.470 5.137 1.00 0.00 N ATOM 819 CA LEU B 35 -2.474 -5.987 5.178 1.00 0.00 C ATOM 820 C LEU B 35 -2.700 -4.594 5.793 1.00 0.00 C ATOM 821 O LEU B 35 -3.411 -3.788 5.211 1.00 0.00 O ATOM 822 CB LEU B 35 -3.441 -6.991 5.838 1.00 0.00 C ATOM 823 CG LEU B 35 -3.908 -8.130 4.924 1.00 0.00 C ATOM 824 CD1 LEU B 35 -4.874 -9.012 5.693 1.00 0.00 C ATOM 825 CD2 LEU B 35 -4.595 -7.566 3.663 1.00 0.00 C ATOM 0 H LEU B 35 -0.881 -7.313 5.680 1.00 0.00 H new ATOM 0 HA LEU B 35 -2.702 -5.893 4.116 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -2.954 -7.422 6.712 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -4.316 -6.449 6.196 1.00 0.00 H new ATOM 0 HG LEU B 35 -3.045 -8.715 4.607 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -5.213 -9.826 5.052 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -4.372 -9.424 6.568 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -5.732 -8.420 6.012 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -4.920 -8.389 3.027 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -5.460 -6.971 3.955 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -3.892 -6.939 3.115 1.00 0.00 H new ATOM 826 N GLN B 36 -2.125 -4.312 6.950 1.00 0.00 N ATOM 827 CA GLN B 36 -2.284 -2.984 7.607 1.00 0.00 C ATOM 828 C GLN B 36 -1.595 -1.783 6.906 1.00 0.00 C ATOM 829 O GLN B 36 -2.180 -0.705 6.933 1.00 0.00 O ATOM 830 CB GLN B 36 -1.959 -3.101 9.118 1.00 0.00 C ATOM 831 CG GLN B 36 -3.200 -3.299 10.030 1.00 0.00 C ATOM 832 CD GLN B 36 -4.167 -4.452 9.734 1.00 0.00 C ATOM 833 OE1 GLN B 36 -5.377 -4.349 9.892 1.00 0.00 O ATOM 834 NE2 GLN B 36 -3.696 -5.583 9.284 1.00 0.00 N ATOM 0 H GLN B 36 -1.542 -4.969 7.468 1.00 0.00 H new ATOM 0 HA GLN B 36 -3.335 -2.718 7.493 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -1.277 -3.939 9.266 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -1.431 -2.201 9.434 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -2.840 -3.426 11.051 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -3.775 -2.374 10.007 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -2.692 -5.697 9.143 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -4.332 -6.353 9.074 1.00 0.00 H new ATOM 835 N ILE B 37 -0.458 -1.950 6.212 1.00 0.00 N ATOM 836 CA ILE B 37 -0.007 -0.979 5.183 1.00 0.00 C ATOM 837 C ILE B 37 -0.832 -1.032 3.858 1.00 0.00 C ATOM 838 O ILE B 37 -0.896 0.006 3.259 1.00 0.00 O ATOM 839 CB ILE B 37 1.535 -1.155 4.925 1.00 0.00 C ATOM 840 CG1 ILE B 37 2.365 0.111 4.584 1.00 0.00 C ATOM 841 CG2 ILE B 37 1.839 -2.245 3.881 1.00 0.00 C ATOM 842 CD1 ILE B 37 2.137 0.788 3.216 1.00 0.00 C ATOM 0 H ILE B 37 0.170 -2.744 6.339 1.00 0.00 H new ATOM 0 HA ILE B 37 -0.192 0.019 5.581 1.00 0.00 H new ATOM 0 HB ILE B 37 1.870 -1.453 5.919 1.00 0.00 H new ATOM 0 HG12 ILE B 37 2.173 0.853 5.359 1.00 0.00 H new ATOM 0 HG13 ILE B 37 3.420 -0.155 4.652 1.00 0.00 H new ATOM 0 HG21 ILE B 37 2.917 -2.325 3.741 1.00 0.00 H new ATOM 0 HG22 ILE B 37 1.446 -3.201 4.228 1.00 0.00 H new ATOM 0 HG23 ILE B 37 1.369 -1.982 2.933 1.00 0.00 H new ATOM 0 HD11 ILE B 37 2.789 1.657 3.127 1.00 0.00 H new ATOM 0 HD12 ILE B 37 2.364 0.081 2.418 1.00 0.00 H new ATOM 0 HD13 ILE B 37 1.097 1.105 3.136 1.00 0.00 H new ATOM 843 N VAL B 38 -1.349 -2.159 3.340 1.00 0.00 N ATOM 844 CA VAL B 38 -2.090 -2.287 2.036 1.00 0.00 C ATOM 845 C VAL B 38 -3.559 -1.744 2.126 1.00 0.00 C ATOM 846 O VAL B 38 -4.024 -0.989 1.275 1.00 0.00 O ATOM 847 CB VAL B 38 -2.135 -3.789 1.614 1.00 0.00 C ATOM 848 CG1 VAL B 38 -3.245 -4.381 0.717 1.00 0.00 C ATOM 849 CG2 VAL B 38 -0.786 -4.187 0.992 1.00 0.00 C ATOM 0 H VAL B 38 -1.268 -3.053 3.825 1.00 0.00 H new ATOM 0 HA VAL B 38 -1.556 -1.687 1.299 1.00 0.00 H new ATOM 0 HB VAL B 38 -2.389 -4.223 2.581 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -3.060 -5.444 0.563 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -4.213 -4.247 1.200 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -3.246 -3.870 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -0.817 -5.236 0.697 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -0.593 -3.569 0.115 1.00 0.00 H new ATOM 0 HG23 VAL B 38 0.009 -4.039 1.722 1.00 0.00 H new ATOM 850 N GLN B 39 -4.296 -2.184 3.165 1.00 0.00 N ATOM 851 CA GLN B 39 -5.463 -1.464 3.720 1.00 0.00 C ATOM 852 C GLN B 39 -5.128 0.012 4.139 1.00 0.00 C ATOM 853 O GLN B 39 -5.909 0.895 3.790 1.00 0.00 O ATOM 854 CB GLN B 39 -6.055 -2.301 4.890 1.00 0.00 C ATOM 855 CG GLN B 39 -6.543 -3.745 4.589 1.00 0.00 C ATOM 856 CD GLN B 39 -7.117 -4.527 5.774 1.00 0.00 C ATOM 857 OE1 GLN B 39 -8.244 -5.003 5.761 1.00 0.00 O ATOM 858 NE2 GLN B 39 -6.370 -4.707 6.832 1.00 0.00 N ATOM 0 H GLN B 39 -4.097 -3.059 3.649 1.00 0.00 H new ATOM 0 HA GLN B 39 -6.217 -1.361 2.939 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -5.298 -2.362 5.672 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -6.896 -1.745 5.304 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -7.305 -3.694 3.811 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -5.706 -4.311 4.179 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -5.427 -4.318 6.863 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -6.730 -5.236 7.626 1.00 0.00 H new ATOM 859 N ASP B 40 -3.943 0.336 4.730 1.00 0.00 N ATOM 860 CA ASP B 40 -3.391 1.730 4.610 1.00 0.00 C ATOM 861 C ASP B 40 -3.269 2.314 3.171 1.00 0.00 C ATOM 862 O ASP B 40 -3.608 3.474 2.935 1.00 0.00 O ATOM 863 CB ASP B 40 -2.169 2.100 5.495 1.00 0.00 C ATOM 864 CG ASP B 40 -1.940 3.553 5.951 1.00 0.00 C ATOM 865 OD1 ASP B 40 -2.358 4.505 5.064 1.00 0.00 O ATOM 866 OD2 ASP B 40 -1.385 3.812 7.014 1.00 0.00 O ATOM 0 H ASP B 40 -3.369 -0.311 5.272 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.227 2.257 5.070 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -2.227 1.487 6.394 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -1.275 1.789 4.954 1.00 0.00 H new ATOM 867 N ALA B 41 -2.753 1.521 2.241 1.00 0.00 N ATOM 868 CA ALA B 41 -2.209 2.021 0.981 1.00 0.00 C ATOM 869 C ALA B 41 -3.242 2.262 -0.153 1.00 0.00 C ATOM 870 O ALA B 41 -3.352 3.385 -0.646 1.00 0.00 O ATOM 871 CB ALA B 41 -0.985 1.150 0.709 1.00 0.00 C ATOM 0 H ALA B 41 -2.699 0.507 2.338 1.00 0.00 H new ATOM 0 HA ALA B 41 -1.885 3.060 1.044 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -0.516 1.462 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -0.272 1.258 1.527 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -1.291 0.107 0.630 1.00 0.00 H new ATOM 872 N LEU B 42 -4.056 1.259 -0.501 1.00 0.00 N ATOM 873 CA LEU B 42 -5.321 1.514 -1.254 1.00 0.00 C ATOM 874 C LEU B 42 -6.573 1.954 -0.425 1.00 0.00 C ATOM 875 O LEU B 42 -7.442 2.592 -1.031 1.00 0.00 O ATOM 876 CB LEU B 42 -5.614 0.415 -2.313 1.00 0.00 C ATOM 877 CG LEU B 42 -5.776 -1.073 -1.918 1.00 0.00 C ATOM 878 CD1 LEU B 42 -6.965 -1.331 -0.987 1.00 0.00 C ATOM 879 CD2 LEU B 42 -5.983 -1.902 -3.199 1.00 0.00 C ATOM 0 H LEU B 42 -3.880 0.278 -0.286 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.102 2.433 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -6.530 0.707 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -4.809 0.461 -3.047 1.00 0.00 H new ATOM 0 HG LEU B 42 -4.872 -1.358 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -7.018 -2.394 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -6.837 -0.761 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -7.887 -1.022 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -6.099 -2.954 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -6.878 -1.556 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -5.119 -1.784 -3.852 1.00 0.00 H new