USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 985 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 GLN :FLIP amide:sc= -0.537 F(o=-1.2,f=-0.54) USER MOD Set 1.2: A 100 LYS NZ :NH3+ 171:sc= 0 (180deg=0) USER MOD Set 2.1: A 19 GLN :FLIP amide:sc=0.000591 F(o=-2.4,f=-0.55) USER MOD Set 2.2: A 70 GLN : amide:sc= -0.548 K(o=-0.55,f=-2.4!) USER MOD Set 3.1: A 18 SER OG : rot -80:sc= 1.85 USER MOD Set 3.2: A 71 THR OG1 : rot 76:sc= -0.243 USER MOD Set 3.3: A 74 ASN : amide:sc= 0.355 K(o=2,f=-1.7!) USER MOD Set 4.1: A 9 ASN : amide:sc= -0.53 X(o=-1.6,f=-1.2) USER MOD Set 4.2: A 12 GLN : amide:sc= -1.11 K(o=-1.6,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 149:sc= -0.523 (180deg=-2.22!) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.122 (180deg=-0.122) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -145:sc= 0.547 USER MOD Single : A 20 SER OG : rot 75:sc= 0.857 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 35 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.19) USER MOD Single : A 36 GLN : amide:sc=-0.00297 K(o=-0.003,f=-0.83) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 43 SER OG : rot 77:sc= 0.626 USER MOD Single : A 46 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 48 MET CE :methyl -139:sc= -0.49 (180deg=-2.73!) USER MOD Single : A 50 LYS NZ :NH3+ 140:sc= 0.193 (180deg=0.0232) USER MOD Single : A 51 GLN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 52 THR OG1 : rot -57:sc= -0.54 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.33 K(o=0.33,f=-3) USER MOD Single : A 63 MET CE :methyl 173:sc= -1.03 (180deg=-1.25) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= 0.206 (180deg=0.0381) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 170:sc= -0.7 (180deg=-0.742) USER MOD Single : A 83 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.15) USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 150:sc= -0.255 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.997 USER MOD Single : A 101 SER OG : rot -114:sc= 1.11 USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.0529 F(o=-1.2,f=-0.053) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -173:sc= -0.438 (180deg=-0.579) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.915 3.189 21.638 1.00 43.11 N ATOM 2 CA MET A 1 2.043 2.410 20.388 1.00 4.25 C ATOM 3 C MET A 1 1.034 2.909 19.317 1.00 52.53 C ATOM 4 O MET A 1 1.061 2.430 18.181 1.00 23.44 O ATOM 5 CB MET A 1 1.862 0.886 20.698 1.00 15.34 C ATOM 6 CG MET A 1 2.040 -0.056 19.490 1.00 62.21 C ATOM 7 SD MET A 1 1.717 -1.784 19.874 1.00 13.31 S ATOM 8 CE MET A 1 1.665 -2.507 18.234 1.00 55.20 C ATOM 0 H1 MET A 1 2.599 2.837 22.338 1.00 43.11 H new ATOM 0 H2 MET A 1 2.105 4.193 21.443 1.00 43.11 H new ATOM 0 H3 MET A 1 0.951 3.086 22.014 1.00 43.11 H new ATOM 0 HA MET A 1 3.040 2.557 19.973 1.00 4.25 H new ATOM 0 HB2 MET A 1 2.578 0.601 21.469 1.00 15.34 H new ATOM 0 HB3 MET A 1 0.867 0.732 21.115 1.00 15.34 H new ATOM 0 HG2 MET A 1 1.371 0.261 18.690 1.00 62.21 H new ATOM 0 HG3 MET A 1 3.058 0.040 19.111 1.00 62.21 H new ATOM 0 HE1 MET A 1 2.019 -3.537 18.279 1.00 55.20 H new ATOM 0 HE2 MET A 1 0.641 -2.491 17.862 1.00 55.20 H new ATOM 0 HE3 MET A 1 2.304 -1.933 17.563 1.00 55.20 H new ATOM 20 N THR A 2 0.193 3.920 19.669 1.00 41.52 N ATOM 21 CA THR A 2 -0.900 4.427 18.799 1.00 35.43 C ATOM 22 C THR A 2 -0.414 4.775 17.377 1.00 13.10 C ATOM 23 O THR A 2 -1.099 4.458 16.401 1.00 14.43 O ATOM 24 CB THR A 2 -1.595 5.687 19.424 1.00 53.33 C ATOM 25 OG1 THR A 2 -0.602 6.679 19.735 1.00 21.11 O ATOM 26 CG2 THR A 2 -2.399 5.346 20.683 1.00 71.32 C ATOM 0 H THR A 2 0.256 4.405 20.564 1.00 41.52 H new ATOM 0 HA THR A 2 -1.620 3.612 18.726 1.00 35.43 H new ATOM 0 HB THR A 2 -2.298 6.074 18.686 1.00 53.33 H new ATOM 0 HG1 THR A 2 -1.037 7.467 20.124 1.00 21.11 H new ATOM 0 HG21 THR A 2 -2.860 6.252 21.077 1.00 71.32 H new ATOM 0 HG22 THR A 2 -3.175 4.622 20.434 1.00 71.32 H new ATOM 0 HG23 THR A 2 -1.734 4.921 21.435 1.00 71.32 H new ATOM 34 N SER A 3 0.790 5.392 17.277 1.00 65.11 N ATOM 35 CA SER A 3 1.364 5.817 15.989 1.00 22.24 C ATOM 36 C SER A 3 1.665 4.596 15.107 1.00 64.12 C ATOM 37 O SER A 3 1.377 4.612 13.908 1.00 73.24 O ATOM 38 CB SER A 3 2.635 6.673 16.211 1.00 52.12 C ATOM 39 OG SER A 3 3.630 5.955 16.914 1.00 54.21 O ATOM 0 H SER A 3 1.380 5.604 18.082 1.00 65.11 H new ATOM 0 HA SER A 3 0.632 6.437 15.471 1.00 22.24 H new ATOM 0 HB2 SER A 3 3.030 6.995 15.248 1.00 52.12 H new ATOM 0 HB3 SER A 3 2.375 7.574 16.766 1.00 52.12 H new ATOM 0 HG SER A 3 4.419 6.523 17.036 1.00 54.21 H new ATOM 45 N THR A 4 2.220 3.528 15.732 1.00 1.13 N ATOM 46 CA THR A 4 2.550 2.271 15.037 1.00 70.44 C ATOM 47 C THR A 4 1.276 1.535 14.577 1.00 24.23 C ATOM 48 O THR A 4 1.202 1.123 13.427 1.00 35.42 O ATOM 49 CB THR A 4 3.416 1.318 15.931 1.00 70.14 C ATOM 50 OG1 THR A 4 4.571 2.019 16.407 1.00 42.24 O ATOM 51 CG2 THR A 4 3.875 0.058 15.167 1.00 51.24 C ATOM 0 H THR A 4 2.448 3.519 16.726 1.00 1.13 H new ATOM 0 HA THR A 4 3.137 2.545 14.160 1.00 70.44 H new ATOM 0 HB THR A 4 2.790 0.999 16.764 1.00 70.14 H new ATOM 0 HG1 THR A 4 5.330 1.401 16.460 1.00 42.24 H new ATOM 0 HG21 THR A 4 4.472 -0.571 15.828 1.00 51.24 H new ATOM 0 HG22 THR A 4 3.002 -0.499 14.826 1.00 51.24 H new ATOM 0 HG23 THR A 4 4.476 0.353 14.307 1.00 51.24 H new ATOM 59 N VAL A 5 0.278 1.408 15.484 1.00 22.45 N ATOM 60 CA VAL A 5 -1.000 0.700 15.206 1.00 53.12 C ATOM 61 C VAL A 5 -1.751 1.369 14.036 1.00 71.20 C ATOM 62 O VAL A 5 -2.259 0.693 13.133 1.00 14.25 O ATOM 63 CB VAL A 5 -1.939 0.673 16.478 1.00 21.34 C ATOM 64 CG1 VAL A 5 -3.279 -0.062 16.197 1.00 34.45 C ATOM 65 CG2 VAL A 5 -1.210 0.044 17.690 1.00 43.13 C ATOM 0 H VAL A 5 0.333 1.792 16.427 1.00 22.45 H new ATOM 0 HA VAL A 5 -0.746 -0.326 14.938 1.00 53.12 H new ATOM 0 HB VAL A 5 -2.182 1.708 16.721 1.00 21.34 H new ATOM 0 HG11 VAL A 5 -3.893 -0.057 17.098 1.00 34.45 H new ATOM 0 HG12 VAL A 5 -3.811 0.446 15.392 1.00 34.45 H new ATOM 0 HG13 VAL A 5 -3.075 -1.092 15.903 1.00 34.45 H new ATOM 0 HG21 VAL A 5 -1.877 0.037 18.552 1.00 43.13 H new ATOM 0 HG22 VAL A 5 -0.918 -0.978 17.449 1.00 43.13 H new ATOM 0 HG23 VAL A 5 -0.321 0.630 17.924 1.00 43.13 H new ATOM 75 N GLU A 6 -1.767 2.710 14.073 1.00 75.10 N ATOM 76 CA GLU A 6 -2.457 3.549 13.088 1.00 1.24 C ATOM 77 C GLU A 6 -1.698 3.513 11.748 1.00 11.42 C ATOM 78 O GLU A 6 -2.317 3.519 10.690 1.00 72.30 O ATOM 79 CB GLU A 6 -2.615 4.994 13.667 1.00 71.42 C ATOM 80 CG GLU A 6 -3.668 5.902 12.973 1.00 45.51 C ATOM 81 CD GLU A 6 -3.155 6.624 11.718 1.00 43.40 C ATOM 82 OE1 GLU A 6 -2.309 7.523 11.855 1.00 31.44 O ATOM 83 OE2 GLU A 6 -3.610 6.327 10.596 1.00 61.23 O ATOM 0 H GLU A 6 -1.294 3.247 14.799 1.00 75.10 H new ATOM 0 HA GLU A 6 -3.459 3.168 12.888 1.00 1.24 H new ATOM 0 HB2 GLU A 6 -2.875 4.913 14.722 1.00 71.42 H new ATOM 0 HB3 GLU A 6 -1.647 5.491 13.615 1.00 71.42 H new ATOM 0 HG2 GLU A 6 -4.531 5.294 12.700 1.00 45.51 H new ATOM 0 HG3 GLU A 6 -4.016 6.647 13.689 1.00 45.51 H new ATOM 90 N PHE A 7 -0.352 3.417 11.823 1.00 34.42 N ATOM 91 CA PHE A 7 0.527 3.296 10.639 1.00 60.15 C ATOM 92 C PHE A 7 0.315 1.930 9.932 1.00 3.11 C ATOM 93 O PHE A 7 0.304 1.855 8.693 1.00 42.41 O ATOM 94 CB PHE A 7 2.003 3.471 11.076 1.00 14.23 C ATOM 95 CG PHE A 7 3.019 3.547 9.943 1.00 74.33 C ATOM 96 CD1 PHE A 7 3.041 4.647 9.080 1.00 71.23 C ATOM 97 CD2 PHE A 7 3.967 2.540 9.753 1.00 42.43 C ATOM 98 CE1 PHE A 7 3.972 4.732 8.068 1.00 21.12 C ATOM 99 CE2 PHE A 7 4.894 2.629 8.737 1.00 41.15 C ATOM 100 CZ PHE A 7 4.898 3.724 7.895 1.00 70.12 C ATOM 0 H PHE A 7 0.156 3.421 12.708 1.00 34.42 H new ATOM 0 HA PHE A 7 0.273 4.078 9.923 1.00 60.15 H new ATOM 0 HB2 PHE A 7 2.082 4.380 11.672 1.00 14.23 H new ATOM 0 HB3 PHE A 7 2.272 2.639 11.726 1.00 14.23 H new ATOM 0 HD1 PHE A 7 2.319 5.440 9.208 1.00 71.23 H new ATOM 0 HD2 PHE A 7 3.974 1.682 10.409 1.00 42.43 H new ATOM 0 HE1 PHE A 7 3.977 5.588 7.410 1.00 21.12 H new ATOM 0 HE2 PHE A 7 5.619 1.841 8.599 1.00 41.15 H new ATOM 0 HZ PHE A 7 5.627 3.791 7.101 1.00 70.12 H new ATOM 110 N ILE A 8 0.134 0.858 10.743 1.00 44.34 N ATOM 111 CA ILE A 8 -0.207 -0.490 10.241 1.00 74.13 C ATOM 112 C ILE A 8 -1.584 -0.441 9.572 1.00 5.13 C ATOM 113 O ILE A 8 -1.786 -1.045 8.523 1.00 2.13 O ATOM 114 CB ILE A 8 -0.222 -1.572 11.393 1.00 32.34 C ATOM 115 CG1 ILE A 8 1.178 -1.685 12.071 1.00 52.44 C ATOM 116 CG2 ILE A 8 -0.702 -2.961 10.878 1.00 54.54 C ATOM 117 CD1 ILE A 8 1.193 -2.517 13.346 1.00 20.32 C ATOM 0 H ILE A 8 0.221 0.906 11.758 1.00 44.34 H new ATOM 0 HA ILE A 8 0.561 -0.784 9.525 1.00 74.13 H new ATOM 0 HB ILE A 8 -0.940 -1.237 12.142 1.00 32.34 H new ATOM 0 HG12 ILE A 8 1.879 -2.120 11.359 1.00 52.44 H new ATOM 0 HG13 ILE A 8 1.539 -0.683 12.301 1.00 52.44 H new ATOM 0 HG21 ILE A 8 -0.698 -3.676 11.701 1.00 54.54 H new ATOM 0 HG22 ILE A 8 -1.713 -2.872 10.480 1.00 54.54 H new ATOM 0 HG23 ILE A 8 -0.032 -3.309 10.092 1.00 54.54 H new ATOM 0 HD11 ILE A 8 2.204 -2.543 13.751 1.00 20.32 H new ATOM 0 HD12 ILE A 8 0.520 -2.072 14.079 1.00 20.32 H new ATOM 0 HD13 ILE A 8 0.865 -3.532 13.122 1.00 20.32 H new ATOM 129 N ASN A 9 -2.513 0.321 10.196 1.00 2.34 N ATOM 130 CA ASN A 9 -3.884 0.495 9.692 1.00 53.53 C ATOM 131 C ASN A 9 -3.877 1.271 8.360 1.00 4.42 C ATOM 132 O ASN A 9 -4.744 1.048 7.502 1.00 44.44 O ATOM 133 CB ASN A 9 -4.783 1.203 10.749 1.00 44.24 C ATOM 134 CG ASN A 9 -6.287 1.169 10.424 1.00 24.25 C ATOM 135 OD1 ASN A 9 -7.016 2.124 10.695 1.00 52.13 O ATOM 136 ND2 ASN A 9 -6.778 0.055 9.883 1.00 53.41 N ATOM 0 H ASN A 9 -2.328 0.829 11.061 1.00 2.34 H new ATOM 0 HA ASN A 9 -4.307 -0.493 9.507 1.00 53.53 H new ATOM 0 HB2 ASN A 9 -4.622 0.733 11.719 1.00 44.24 H new ATOM 0 HB3 ASN A 9 -4.466 2.242 10.841 1.00 44.24 H new ATOM 0 HD21 ASN A 9 -7.776 -0.019 9.685 1.00 53.41 H new ATOM 0 HD22 ASN A 9 -6.156 -0.724 9.667 1.00 53.41 H new ATOM 143 N ARG A 10 -2.880 2.173 8.197 1.00 0.54 N ATOM 144 CA ARG A 10 -2.642 2.896 6.931 1.00 22.14 C ATOM 145 C ARG A 10 -2.240 1.900 5.832 1.00 1.02 C ATOM 146 O ARG A 10 -2.748 1.969 4.712 1.00 23.12 O ATOM 147 CB ARG A 10 -1.530 3.961 7.077 1.00 10.41 C ATOM 148 CG ARG A 10 -1.850 5.136 8.012 1.00 41.03 C ATOM 149 CD ARG A 10 -0.684 6.141 8.105 1.00 52.21 C ATOM 150 NE ARG A 10 -0.934 7.172 9.119 1.00 62.31 N ATOM 151 CZ ARG A 10 -0.382 8.397 9.147 1.00 10.35 C ATOM 152 NH1 ARG A 10 0.475 8.791 8.204 1.00 24.13 N ATOM 153 NH2 ARG A 10 -0.696 9.224 10.129 1.00 14.01 N ATOM 0 H ARG A 10 -2.222 2.417 8.938 1.00 0.54 H new ATOM 0 HA ARG A 10 -3.569 3.404 6.664 1.00 22.14 H new ATOM 0 HB2 ARG A 10 -0.627 3.469 7.438 1.00 10.41 H new ATOM 0 HB3 ARG A 10 -1.302 4.359 6.088 1.00 10.41 H new ATOM 0 HG2 ARG A 10 -2.742 5.650 7.655 1.00 41.03 H new ATOM 0 HG3 ARG A 10 -2.079 4.754 9.007 1.00 41.03 H new ATOM 0 HD2 ARG A 10 0.236 5.609 8.346 1.00 52.21 H new ATOM 0 HD3 ARG A 10 -0.533 6.614 7.135 1.00 52.21 H new ATOM 0 HE ARG A 10 -1.584 6.938 9.869 1.00 62.31 H new ATOM 0 HH11 ARG A 10 0.722 8.158 7.443 1.00 24.13 H new ATOM 0 HH12 ARG A 10 0.883 9.725 8.244 1.00 24.13 H new ATOM 0 HH21 ARG A 10 -1.350 8.930 10.854 1.00 14.01 H new ATOM 0 HH22 ARG A 10 -0.284 10.157 10.162 1.00 14.01 H new ATOM 167 N TRP A 11 -1.308 0.983 6.176 1.00 24.34 N ATOM 168 CA TRP A 11 -0.866 -0.090 5.258 1.00 53.23 C ATOM 169 C TRP A 11 -1.995 -1.082 4.949 1.00 52.01 C ATOM 170 O TRP A 11 -2.030 -1.645 3.851 1.00 73.01 O ATOM 171 CB TRP A 11 0.364 -0.846 5.813 1.00 72.23 C ATOM 172 CG TRP A 11 1.643 -0.058 5.720 1.00 51.24 C ATOM 173 CD1 TRP A 11 2.384 0.442 6.747 1.00 34.31 C ATOM 174 CD2 TRP A 11 2.313 0.346 4.508 1.00 60.54 C ATOM 175 NE1 TRP A 11 3.499 1.065 6.254 1.00 21.22 N ATOM 176 CE2 TRP A 11 3.472 1.036 4.891 1.00 71.25 C ATOM 177 CE3 TRP A 11 2.051 0.176 3.139 1.00 41.31 C ATOM 178 CZ2 TRP A 11 4.375 1.556 3.969 1.00 14.22 C ATOM 179 CZ3 TRP A 11 2.941 0.703 2.220 1.00 15.23 C ATOM 180 CH2 TRP A 11 4.095 1.385 2.641 1.00 31.31 C ATOM 0 H TRP A 11 -0.847 0.965 7.085 1.00 24.34 H new ATOM 0 HA TRP A 11 -0.580 0.401 4.328 1.00 53.23 H new ATOM 0 HB2 TRP A 11 0.181 -1.106 6.856 1.00 72.23 H new ATOM 0 HB3 TRP A 11 0.482 -1.782 5.267 1.00 72.23 H new ATOM 0 HD1 TRP A 11 2.130 0.360 7.794 1.00 34.31 H new ATOM 0 HE1 TRP A 11 4.236 1.486 6.819 1.00 21.22 H new ATOM 0 HE3 TRP A 11 1.171 -0.356 2.809 1.00 41.31 H new ATOM 0 HZ2 TRP A 11 5.265 2.076 4.290 1.00 14.22 H new ATOM 0 HZ3 TRP A 11 2.746 0.588 1.164 1.00 15.23 H new ATOM 0 HH2 TRP A 11 4.774 1.782 1.901 1.00 31.31 H new ATOM 191 N GLN A 12 -2.903 -1.292 5.931 1.00 70.43 N ATOM 192 CA GLN A 12 -4.123 -2.090 5.732 1.00 53.34 C ATOM 193 C GLN A 12 -4.975 -1.421 4.656 1.00 42.23 C ATOM 194 O GLN A 12 -5.415 -2.077 3.722 1.00 44.44 O ATOM 195 CB GLN A 12 -4.942 -2.241 7.050 1.00 71.41 C ATOM 196 CG GLN A 12 -4.260 -3.100 8.128 1.00 22.32 C ATOM 197 CD GLN A 12 -5.071 -3.224 9.412 1.00 73.44 C ATOM 198 OE1 GLN A 12 -4.908 -2.437 10.331 1.00 51.21 O ATOM 199 NE2 GLN A 12 -5.966 -4.192 9.478 1.00 71.14 N ATOM 0 H GLN A 12 -2.807 -0.914 6.874 1.00 70.43 H new ATOM 0 HA GLN A 12 -3.834 -3.093 5.419 1.00 53.34 H new ATOM 0 HB2 GLN A 12 -5.133 -1.249 7.460 1.00 71.41 H new ATOM 0 HB3 GLN A 12 -5.911 -2.680 6.813 1.00 71.41 H new ATOM 0 HG2 GLN A 12 -4.078 -4.096 7.725 1.00 22.32 H new ATOM 0 HG3 GLN A 12 -3.287 -2.668 8.363 1.00 22.32 H new ATOM 0 HE21 GLN A 12 -6.080 -4.835 8.695 1.00 71.14 H new ATOM 0 HE22 GLN A 12 -6.543 -4.297 10.312 1.00 71.14 H new ATOM 208 N ARG A 13 -5.128 -0.087 4.774 1.00 51.32 N ATOM 209 CA ARG A 13 -5.943 0.713 3.854 1.00 31.23 C ATOM 210 C ARG A 13 -5.394 0.625 2.412 1.00 61.04 C ATOM 211 O ARG A 13 -6.158 0.330 1.506 1.00 73.14 O ATOM 212 CB ARG A 13 -6.015 2.187 4.317 1.00 4.04 C ATOM 213 CG ARG A 13 -6.957 3.083 3.473 1.00 34.45 C ATOM 214 CD ARG A 13 -8.456 2.714 3.616 1.00 54.23 C ATOM 215 NE ARG A 13 -9.334 3.562 2.780 1.00 25.33 N ATOM 216 CZ ARG A 13 -9.584 4.874 2.981 1.00 35.45 C ATOM 217 NH1 ARG A 13 -9.047 5.531 3.990 1.00 51.32 N ATOM 218 NH2 ARG A 13 -10.390 5.526 2.176 1.00 51.11 N ATOM 0 H ARG A 13 -4.687 0.461 5.513 1.00 51.32 H new ATOM 0 HA ARG A 13 -6.953 0.303 3.861 1.00 31.23 H new ATOM 0 HB2 ARG A 13 -6.345 2.212 5.355 1.00 4.04 H new ATOM 0 HB3 ARG A 13 -5.011 2.612 4.291 1.00 4.04 H new ATOM 0 HG2 ARG A 13 -6.817 4.123 3.769 1.00 34.45 H new ATOM 0 HG3 ARG A 13 -6.672 3.009 2.424 1.00 34.45 H new ATOM 0 HD2 ARG A 13 -8.597 1.669 3.340 1.00 54.23 H new ATOM 0 HD3 ARG A 13 -8.752 2.810 4.661 1.00 54.23 H new ATOM 0 HE ARG A 13 -9.790 3.117 1.983 1.00 25.33 H new ATOM 0 HH11 ARG A 13 -8.427 5.049 4.641 1.00 51.32 H new ATOM 0 HH12 ARG A 13 -9.252 6.522 4.120 1.00 51.32 H new ATOM 0 HH21 ARG A 13 -10.831 5.042 1.394 1.00 51.11 H new ATOM 0 HH22 ARG A 13 -10.575 6.517 2.332 1.00 51.11 H new ATOM 232 N ILE A 14 -4.064 0.840 2.226 1.00 2.31 N ATOM 233 CA ILE A 14 -3.426 0.808 0.883 1.00 21.52 C ATOM 234 C ILE A 14 -3.558 -0.598 0.252 1.00 71.42 C ATOM 235 O ILE A 14 -3.967 -0.725 -0.905 1.00 22.24 O ATOM 236 CB ILE A 14 -1.895 1.200 0.919 1.00 60.12 C ATOM 237 CG1 ILE A 14 -1.666 2.568 1.630 1.00 35.41 C ATOM 238 CG2 ILE A 14 -1.295 1.234 -0.517 1.00 22.31 C ATOM 239 CD1 ILE A 14 -0.200 2.961 1.765 1.00 53.41 C ATOM 0 H ILE A 14 -3.415 1.037 2.988 1.00 2.31 H new ATOM 0 HA ILE A 14 -3.953 1.550 0.282 1.00 21.52 H new ATOM 0 HB ILE A 14 -1.381 0.431 1.496 1.00 60.12 H new ATOM 0 HG12 ILE A 14 -2.190 3.346 1.075 1.00 35.41 H new ATOM 0 HG13 ILE A 14 -2.113 2.529 2.623 1.00 35.41 H new ATOM 0 HG21 ILE A 14 -0.241 1.506 -0.465 1.00 22.31 H new ATOM 0 HG22 ILE A 14 -1.393 0.250 -0.976 1.00 22.31 H new ATOM 0 HG23 ILE A 14 -1.830 1.970 -1.118 1.00 22.31 H new ATOM 0 HD11 ILE A 14 -0.127 3.924 2.270 1.00 53.41 H new ATOM 0 HD12 ILE A 14 0.327 2.205 2.347 1.00 53.41 H new ATOM 0 HD13 ILE A 14 0.249 3.035 0.775 1.00 53.41 H new ATOM 251 N ALA A 15 -3.221 -1.633 1.058 1.00 41.42 N ATOM 252 CA ALA A 15 -3.240 -3.050 0.640 1.00 72.11 C ATOM 253 C ALA A 15 -4.639 -3.479 0.181 1.00 73.44 C ATOM 254 O ALA A 15 -4.791 -4.098 -0.872 1.00 1.14 O ATOM 255 CB ALA A 15 -2.762 -3.953 1.793 1.00 41.23 C ATOM 0 H ALA A 15 -2.926 -1.503 2.026 1.00 41.42 H new ATOM 0 HA ALA A 15 -2.560 -3.158 -0.205 1.00 72.11 H new ATOM 0 HB1 ALA A 15 -2.781 -4.994 1.471 1.00 41.23 H new ATOM 0 HB2 ALA A 15 -1.745 -3.678 2.073 1.00 41.23 H new ATOM 0 HB3 ALA A 15 -3.421 -3.826 2.652 1.00 41.23 H new ATOM 261 N LEU A 16 -5.642 -3.094 0.984 1.00 50.00 N ATOM 262 CA LEU A 16 -7.059 -3.476 0.775 1.00 72.44 C ATOM 263 C LEU A 16 -7.699 -2.664 -0.359 1.00 50.11 C ATOM 264 O LEU A 16 -8.572 -3.182 -1.064 1.00 3.21 O ATOM 265 CB LEU A 16 -7.898 -3.303 2.077 1.00 50.42 C ATOM 266 CG LEU A 16 -7.528 -4.235 3.272 1.00 64.20 C ATOM 267 CD1 LEU A 16 -8.383 -3.908 4.516 1.00 43.34 C ATOM 268 CD2 LEU A 16 -7.631 -5.725 2.882 1.00 60.04 C ATOM 0 H LEU A 16 -5.499 -2.505 1.804 1.00 50.00 H new ATOM 0 HA LEU A 16 -7.060 -4.530 0.496 1.00 72.44 H new ATOM 0 HB2 LEU A 16 -7.804 -2.269 2.409 1.00 50.42 H new ATOM 0 HB3 LEU A 16 -8.947 -3.464 1.831 1.00 50.42 H new ATOM 0 HG LEU A 16 -6.486 -4.045 3.531 1.00 64.20 H new ATOM 0 HD11 LEU A 16 -8.104 -4.572 5.334 1.00 43.34 H new ATOM 0 HD12 LEU A 16 -8.211 -2.874 4.814 1.00 43.34 H new ATOM 0 HD13 LEU A 16 -9.438 -4.047 4.279 1.00 43.34 H new ATOM 0 HD21 LEU A 16 -7.366 -6.345 3.739 1.00 60.04 H new ATOM 0 HD22 LEU A 16 -8.652 -5.950 2.573 1.00 60.04 H new ATOM 0 HD23 LEU A 16 -6.948 -5.934 2.059 1.00 60.04 H new ATOM 280 N LEU A 17 -7.286 -1.383 -0.506 1.00 63.20 N ATOM 281 CA LEU A 17 -7.767 -0.510 -1.595 1.00 61.23 C ATOM 282 C LEU A 17 -7.316 -1.081 -2.932 1.00 31.43 C ATOM 283 O LEU A 17 -8.152 -1.399 -3.761 1.00 3.12 O ATOM 284 CB LEU A 17 -7.289 0.969 -1.443 1.00 14.30 C ATOM 285 CG LEU A 17 -8.060 1.837 -0.401 1.00 23.32 C ATOM 286 CD1 LEU A 17 -7.447 3.247 -0.280 1.00 72.04 C ATOM 287 CD2 LEU A 17 -9.563 1.901 -0.743 1.00 51.43 C ATOM 0 H LEU A 17 -6.618 -0.933 0.120 1.00 63.20 H new ATOM 0 HA LEU A 17 -8.856 -0.487 -1.544 1.00 61.23 H new ATOM 0 HB2 LEU A 17 -6.234 0.962 -1.170 1.00 14.30 H new ATOM 0 HB3 LEU A 17 -7.363 1.455 -2.416 1.00 14.30 H new ATOM 0 HG LEU A 17 -7.961 1.358 0.573 1.00 23.32 H new ATOM 0 HD11 LEU A 17 -8.008 3.826 0.454 1.00 72.04 H new ATOM 0 HD12 LEU A 17 -6.408 3.166 0.039 1.00 72.04 H new ATOM 0 HD13 LEU A 17 -7.492 3.747 -1.247 1.00 72.04 H new ATOM 0 HD21 LEU A 17 -10.079 2.512 -0.002 1.00 51.43 H new ATOM 0 HD22 LEU A 17 -9.693 2.342 -1.731 1.00 51.43 H new ATOM 0 HD23 LEU A 17 -9.981 0.894 -0.738 1.00 51.43 H new ATOM 299 N SER A 18 -5.992 -1.264 -3.084 1.00 54.44 N ATOM 300 CA SER A 18 -5.377 -1.782 -4.320 1.00 25.22 C ATOM 301 C SER A 18 -5.843 -3.221 -4.626 1.00 1.01 C ATOM 302 O SER A 18 -5.921 -3.606 -5.794 1.00 10.03 O ATOM 303 CB SER A 18 -3.846 -1.731 -4.192 1.00 5.04 C ATOM 304 OG SER A 18 -3.414 -2.470 -3.066 1.00 54.50 O ATOM 0 H SER A 18 -5.315 -1.056 -2.350 1.00 54.44 H new ATOM 0 HA SER A 18 -5.695 -1.152 -5.151 1.00 25.22 H new ATOM 0 HB2 SER A 18 -3.387 -2.133 -5.095 1.00 5.04 H new ATOM 0 HB3 SER A 18 -3.518 -0.696 -4.101 1.00 5.04 H new ATOM 0 HG SER A 18 -3.534 -1.932 -2.256 1.00 54.50 H new ATOM 310 N GLN A 19 -6.117 -4.006 -3.553 1.00 75.32 N ATOM 311 CA GLN A 19 -6.720 -5.352 -3.655 1.00 44.35 C ATOM 312 C GLN A 19 -8.089 -5.259 -4.339 1.00 45.30 C ATOM 313 O GLN A 19 -8.342 -5.949 -5.332 1.00 33.24 O ATOM 314 CB GLN A 19 -6.865 -5.981 -2.240 1.00 64.24 C ATOM 315 CG GLN A 19 -7.464 -7.400 -2.195 1.00 60.54 C ATOM 316 CD GLN A 19 -6.630 -8.434 -2.947 1.00 64.23 C ATOM 317 OE1 GLN A 19 -5.652 -9.011 -2.273 1.00 52.12 O flip ATOM 318 NE2 GLN A 19 -6.844 -8.692 -4.127 1.00 53.14 N flip ATOM 0 H GLN A 19 -5.924 -3.719 -2.593 1.00 75.32 H new ATOM 0 HA GLN A 19 -6.070 -5.989 -4.254 1.00 44.35 H new ATOM 0 HB2 GLN A 19 -5.881 -6.008 -1.772 1.00 64.24 H new ATOM 0 HB3 GLN A 19 -7.489 -5.324 -1.633 1.00 64.24 H new ATOM 0 HG2 GLN A 19 -7.564 -7.711 -1.155 1.00 60.54 H new ATOM 0 HG3 GLN A 19 -8.468 -7.376 -2.619 1.00 60.54 H new ATOM 0 HE21 GLN A 19 -7.608 -8.229 -4.620 1.00 53.14 H new ATOM 0 HE22 GLN A 19 -6.258 -9.369 -4.615 1.00 53.14 H new ATOM 327 N SER A 20 -8.942 -4.354 -3.805 1.00 74.31 N ATOM 328 CA SER A 20 -10.274 -4.074 -4.358 1.00 2.15 C ATOM 329 C SER A 20 -10.156 -3.568 -5.798 1.00 4.25 C ATOM 330 O SER A 20 -10.891 -4.010 -6.658 1.00 52.14 O ATOM 331 CB SER A 20 -11.026 -3.030 -3.495 1.00 74.43 C ATOM 332 OG SER A 20 -11.195 -3.485 -2.169 1.00 70.55 O ATOM 0 H SER A 20 -8.719 -3.800 -2.978 1.00 74.31 H new ATOM 0 HA SER A 20 -10.843 -5.004 -4.350 1.00 2.15 H new ATOM 0 HB2 SER A 20 -10.472 -2.091 -3.492 1.00 74.43 H new ATOM 0 HB3 SER A 20 -12.000 -2.823 -3.938 1.00 74.43 H new ATOM 0 HG SER A 20 -10.341 -3.425 -1.691 1.00 70.55 H new ATOM 338 N LEU A 21 -9.170 -2.683 -6.047 1.00 74.53 N ATOM 339 CA LEU A 21 -8.975 -2.049 -7.358 1.00 42.30 C ATOM 340 C LEU A 21 -8.532 -3.078 -8.400 1.00 52.33 C ATOM 341 O LEU A 21 -8.898 -2.953 -9.557 1.00 10.43 O ATOM 342 CB LEU A 21 -7.949 -0.875 -7.296 1.00 44.41 C ATOM 343 CG LEU A 21 -8.297 0.317 -6.352 1.00 23.44 C ATOM 344 CD1 LEU A 21 -7.343 1.514 -6.557 1.00 75.23 C ATOM 345 CD2 LEU A 21 -9.772 0.727 -6.487 1.00 64.52 C ATOM 0 H LEU A 21 -8.491 -2.391 -5.345 1.00 74.53 H new ATOM 0 HA LEU A 21 -9.938 -1.633 -7.655 1.00 42.30 H new ATOM 0 HB2 LEU A 21 -6.986 -1.282 -6.988 1.00 44.41 H new ATOM 0 HB3 LEU A 21 -7.821 -0.483 -8.305 1.00 44.41 H new ATOM 0 HG LEU A 21 -8.150 -0.027 -5.328 1.00 23.44 H new ATOM 0 HD11 LEU A 21 -7.622 2.321 -5.880 1.00 75.23 H new ATOM 0 HD12 LEU A 21 -6.319 1.203 -6.349 1.00 75.23 H new ATOM 0 HD13 LEU A 21 -7.414 1.864 -7.587 1.00 75.23 H new ATOM 0 HD21 LEU A 21 -9.981 1.560 -5.816 1.00 64.52 H new ATOM 0 HD22 LEU A 21 -9.973 1.030 -7.515 1.00 64.52 H new ATOM 0 HD23 LEU A 21 -10.410 -0.118 -6.227 1.00 64.52 H new ATOM 357 N LEU A 22 -7.754 -4.092 -7.965 1.00 63.23 N ATOM 358 CA LEU A 22 -7.268 -5.167 -8.846 1.00 54.24 C ATOM 359 C LEU A 22 -8.437 -6.069 -9.265 1.00 13.21 C ATOM 360 O LEU A 22 -8.636 -6.328 -10.465 1.00 54.43 O ATOM 361 CB LEU A 22 -6.150 -5.989 -8.146 1.00 44.14 C ATOM 362 CG LEU A 22 -5.505 -7.134 -9.000 1.00 14.23 C ATOM 363 CD1 LEU A 22 -4.909 -6.594 -10.317 1.00 74.22 C ATOM 364 CD2 LEU A 22 -4.452 -7.911 -8.187 1.00 43.34 C ATOM 0 H LEU A 22 -7.448 -4.185 -6.996 1.00 63.23 H new ATOM 0 HA LEU A 22 -6.838 -4.720 -9.742 1.00 54.24 H new ATOM 0 HB2 LEU A 22 -5.361 -5.303 -7.838 1.00 44.14 H new ATOM 0 HB3 LEU A 22 -6.563 -6.428 -7.238 1.00 44.14 H new ATOM 0 HG LEU A 22 -6.301 -7.830 -9.265 1.00 14.23 H new ATOM 0 HD11 LEU A 22 -4.471 -7.417 -10.882 1.00 74.22 H new ATOM 0 HD12 LEU A 22 -5.697 -6.126 -10.908 1.00 74.22 H new ATOM 0 HD13 LEU A 22 -4.138 -5.857 -10.092 1.00 74.22 H new ATOM 0 HD21 LEU A 22 -4.023 -8.698 -8.806 1.00 43.34 H new ATOM 0 HD22 LEU A 22 -3.663 -7.230 -7.868 1.00 43.34 H new ATOM 0 HD23 LEU A 22 -4.924 -8.355 -7.311 1.00 43.34 H new ATOM 376 N GLU A 23 -9.218 -6.508 -8.253 1.00 41.52 N ATOM 377 CA GLU A 23 -10.425 -7.328 -8.447 1.00 23.35 C ATOM 378 C GLU A 23 -11.396 -6.630 -9.408 1.00 21.54 C ATOM 379 O GLU A 23 -11.665 -7.134 -10.494 1.00 71.12 O ATOM 380 CB GLU A 23 -11.120 -7.586 -7.085 1.00 70.13 C ATOM 381 CG GLU A 23 -10.289 -8.411 -6.095 1.00 31.40 C ATOM 382 CD GLU A 23 -10.980 -8.570 -4.741 1.00 11.14 C ATOM 383 OE1 GLU A 23 -10.613 -7.869 -3.777 1.00 10.30 O ATOM 384 OE2 GLU A 23 -11.926 -9.376 -4.645 1.00 34.14 O ATOM 0 H GLU A 23 -9.023 -6.299 -7.274 1.00 41.52 H new ATOM 0 HA GLU A 23 -10.130 -8.284 -8.881 1.00 23.35 H new ATOM 0 HB2 GLU A 23 -11.361 -6.627 -6.627 1.00 70.13 H new ATOM 0 HB3 GLU A 23 -12.064 -8.100 -7.265 1.00 70.13 H new ATOM 0 HG2 GLU A 23 -10.097 -9.397 -6.519 1.00 31.40 H new ATOM 0 HG3 GLU A 23 -9.321 -7.932 -5.951 1.00 31.40 H new ATOM 391 N LEU A 24 -11.835 -5.428 -9.001 1.00 51.25 N ATOM 392 CA LEU A 24 -12.824 -4.611 -9.721 1.00 51.10 C ATOM 393 C LEU A 24 -12.330 -4.220 -11.128 1.00 74.24 C ATOM 394 O LEU A 24 -13.137 -4.121 -12.043 1.00 22.12 O ATOM 395 CB LEU A 24 -13.179 -3.348 -8.881 1.00 13.22 C ATOM 396 CG LEU A 24 -13.813 -3.631 -7.478 1.00 74.22 C ATOM 397 CD1 LEU A 24 -13.927 -2.344 -6.633 1.00 65.00 C ATOM 398 CD2 LEU A 24 -15.170 -4.353 -7.611 1.00 50.21 C ATOM 0 H LEU A 24 -11.504 -4.988 -8.142 1.00 51.25 H new ATOM 0 HA LEU A 24 -13.724 -5.210 -9.858 1.00 51.10 H new ATOM 0 HB2 LEU A 24 -12.272 -2.760 -8.739 1.00 13.22 H new ATOM 0 HB3 LEU A 24 -13.871 -2.733 -9.456 1.00 13.22 H new ATOM 0 HG LEU A 24 -13.140 -4.302 -6.944 1.00 74.22 H new ATOM 0 HD11 LEU A 24 -14.372 -2.581 -5.667 1.00 65.00 H new ATOM 0 HD12 LEU A 24 -12.935 -1.919 -6.481 1.00 65.00 H new ATOM 0 HD13 LEU A 24 -14.555 -1.621 -7.154 1.00 65.00 H new ATOM 0 HD21 LEU A 24 -15.584 -4.535 -6.619 1.00 50.21 H new ATOM 0 HD22 LEU A 24 -15.858 -3.731 -8.183 1.00 50.21 H new ATOM 0 HD23 LEU A 24 -15.027 -5.304 -8.125 1.00 50.21 H new ATOM 410 N ALA A 25 -11.001 -4.035 -11.296 1.00 64.41 N ATOM 411 CA ALA A 25 -10.395 -3.766 -12.621 1.00 62.43 C ATOM 412 C ALA A 25 -10.656 -4.940 -13.570 1.00 1.22 C ATOM 413 O ALA A 25 -11.123 -4.751 -14.701 1.00 70.43 O ATOM 414 CB ALA A 25 -8.884 -3.531 -12.502 1.00 32.50 C ATOM 0 H ALA A 25 -10.327 -4.067 -10.531 1.00 64.41 H new ATOM 0 HA ALA A 25 -10.856 -2.863 -13.021 1.00 62.43 H new ATOM 0 HB1 ALA A 25 -8.467 -3.336 -13.490 1.00 32.50 H new ATOM 0 HB2 ALA A 25 -8.699 -2.674 -11.855 1.00 32.50 H new ATOM 0 HB3 ALA A 25 -8.411 -4.416 -12.076 1.00 32.50 H new ATOM 420 N GLN A 26 -10.368 -6.154 -13.066 1.00 5.41 N ATOM 421 CA GLN A 26 -10.532 -7.412 -13.823 1.00 41.52 C ATOM 422 C GLN A 26 -12.025 -7.784 -14.002 1.00 1.30 C ATOM 423 O GLN A 26 -12.382 -8.518 -14.932 1.00 13.51 O ATOM 424 CB GLN A 26 -9.739 -8.543 -13.118 1.00 54.11 C ATOM 425 CG GLN A 26 -8.223 -8.252 -13.007 1.00 14.31 C ATOM 426 CD GLN A 26 -7.437 -9.292 -12.215 1.00 4.32 C ATOM 427 OE1 GLN A 26 -7.965 -9.919 -11.298 1.00 22.35 O ATOM 428 NE2 GLN A 26 -6.166 -9.475 -12.546 1.00 24.34 N ATOM 0 H GLN A 26 -10.014 -6.292 -12.119 1.00 5.41 H new ATOM 0 HA GLN A 26 -10.130 -7.273 -14.826 1.00 41.52 H new ATOM 0 HB2 GLN A 26 -10.147 -8.694 -12.119 1.00 54.11 H new ATOM 0 HB3 GLN A 26 -9.884 -9.474 -13.666 1.00 54.11 H new ATOM 0 HG2 GLN A 26 -7.804 -8.185 -14.011 1.00 14.31 H new ATOM 0 HG3 GLN A 26 -8.086 -7.277 -12.539 1.00 14.31 H new ATOM 0 HE21 GLN A 26 -5.756 -8.940 -13.312 1.00 24.34 H new ATOM 0 HE22 GLN A 26 -5.598 -10.151 -12.035 1.00 24.34 H new ATOM 437 N ARG A 27 -12.890 -7.259 -13.104 1.00 11.13 N ATOM 438 CA ARG A 27 -14.365 -7.408 -13.198 1.00 12.10 C ATOM 439 C ARG A 27 -14.960 -6.394 -14.201 1.00 24.11 C ATOM 440 O ARG A 27 -16.145 -6.481 -14.538 1.00 21.30 O ATOM 441 CB ARG A 27 -15.026 -7.209 -11.798 1.00 25.34 C ATOM 442 CG ARG A 27 -14.565 -8.211 -10.714 1.00 35.22 C ATOM 443 CD ARG A 27 -15.139 -7.891 -9.315 1.00 1.23 C ATOM 444 NE ARG A 27 -14.372 -8.546 -8.233 1.00 51.41 N ATOM 445 CZ ARG A 27 -14.820 -9.505 -7.407 1.00 45.30 C ATOM 446 NH1 ARG A 27 -16.056 -9.977 -7.504 1.00 3.31 N ATOM 447 NH2 ARG A 27 -14.027 -9.988 -6.475 1.00 63.54 N ATOM 0 H ARG A 27 -12.587 -6.720 -12.293 1.00 11.13 H new ATOM 0 HA ARG A 27 -14.576 -8.417 -13.553 1.00 12.10 H new ATOM 0 HB2 ARG A 27 -14.813 -6.198 -11.452 1.00 25.34 H new ATOM 0 HB3 ARG A 27 -16.108 -7.287 -11.908 1.00 25.34 H new ATOM 0 HG2 ARG A 27 -14.868 -9.217 -11.004 1.00 35.22 H new ATOM 0 HG3 ARG A 27 -13.476 -8.208 -10.664 1.00 35.22 H new ATOM 0 HD2 ARG A 27 -15.134 -6.812 -9.160 1.00 1.23 H new ATOM 0 HD3 ARG A 27 -16.179 -8.215 -9.268 1.00 1.23 H new ATOM 0 HE ARG A 27 -13.408 -8.239 -8.102 1.00 51.41 H new ATOM 0 HH11 ARG A 27 -16.687 -9.611 -8.217 1.00 3.31 H new ATOM 0 HH12 ARG A 27 -16.375 -10.706 -6.866 1.00 3.31 H new ATOM 0 HH21 ARG A 27 -13.075 -9.634 -6.382 1.00 63.54 H new ATOM 0 HH22 ARG A 27 -14.364 -10.717 -5.846 1.00 63.54 H new ATOM 461 N GLY A 28 -14.137 -5.429 -14.658 1.00 24.20 N ATOM 462 CA GLY A 28 -14.580 -4.386 -15.595 1.00 64.13 C ATOM 463 C GLY A 28 -15.267 -3.209 -14.908 1.00 72.11 C ATOM 464 O GLY A 28 -15.830 -2.341 -15.575 1.00 2.25 O ATOM 0 H GLY A 28 -13.156 -5.354 -14.389 1.00 24.20 H new ATOM 0 HA2 GLY A 28 -13.719 -4.019 -16.153 1.00 64.13 H new ATOM 0 HA3 GLY A 28 -15.266 -4.826 -16.319 1.00 64.13 H new ATOM 468 N GLU A 29 -15.206 -3.192 -13.570 1.00 20.13 N ATOM 469 CA GLU A 29 -15.776 -2.143 -12.704 1.00 13.34 C ATOM 470 C GLU A 29 -14.773 -0.980 -12.518 1.00 2.14 C ATOM 471 O GLU A 29 -14.451 -0.593 -11.386 1.00 22.51 O ATOM 472 CB GLU A 29 -16.146 -2.774 -11.329 1.00 3.34 C ATOM 473 CG GLU A 29 -17.151 -3.939 -11.387 1.00 51.22 C ATOM 474 CD GLU A 29 -18.533 -3.506 -11.891 1.00 32.33 C ATOM 475 OE1 GLU A 29 -19.324 -2.961 -11.093 1.00 33.33 O ATOM 476 OE2 GLU A 29 -18.836 -3.695 -13.091 1.00 23.22 O ATOM 0 H GLU A 29 -14.744 -3.931 -13.040 1.00 20.13 H new ATOM 0 HA GLU A 29 -16.672 -1.733 -13.171 1.00 13.34 H new ATOM 0 HB2 GLU A 29 -15.232 -3.128 -10.853 1.00 3.34 H new ATOM 0 HB3 GLU A 29 -16.557 -1.993 -10.689 1.00 3.34 H new ATOM 0 HG2 GLU A 29 -16.759 -4.719 -12.040 1.00 51.22 H new ATOM 0 HG3 GLU A 29 -17.252 -4.376 -10.393 1.00 51.22 H new ATOM 483 N TRP A 30 -14.312 -0.413 -13.651 1.00 54.53 N ATOM 484 CA TRP A 30 -13.310 0.677 -13.675 1.00 33.51 C ATOM 485 C TRP A 30 -13.846 1.945 -12.986 1.00 52.45 C ATOM 486 O TRP A 30 -13.064 2.724 -12.431 1.00 22.13 O ATOM 487 CB TRP A 30 -12.890 1.009 -15.128 1.00 12.42 C ATOM 488 CG TRP A 30 -12.312 -0.164 -15.887 1.00 42.23 C ATOM 489 CD1 TRP A 30 -12.947 -0.943 -16.818 1.00 54.30 C ATOM 490 CD2 TRP A 30 -10.983 -0.693 -15.769 1.00 22.13 C ATOM 491 NE1 TRP A 30 -12.096 -1.911 -17.286 1.00 31.20 N ATOM 492 CE2 TRP A 30 -10.886 -1.777 -16.661 1.00 25.24 C ATOM 493 CE3 TRP A 30 -9.864 -0.347 -15.002 1.00 41.23 C ATOM 494 CZ2 TRP A 30 -9.721 -2.516 -16.802 1.00 31.13 C ATOM 495 CZ3 TRP A 30 -8.712 -1.087 -15.144 1.00 52.10 C ATOM 496 CH2 TRP A 30 -8.646 -2.156 -16.038 1.00 13.10 C ATOM 0 H TRP A 30 -14.624 -0.698 -14.579 1.00 54.53 H new ATOM 0 HA TRP A 30 -12.436 0.327 -13.125 1.00 33.51 H new ATOM 0 HB2 TRP A 30 -13.758 1.386 -15.669 1.00 12.42 H new ATOM 0 HB3 TRP A 30 -12.154 1.813 -15.107 1.00 12.42 H new ATOM 0 HD1 TRP A 30 -13.971 -0.813 -17.137 1.00 54.30 H new ATOM 0 HE1 TRP A 30 -12.327 -2.616 -17.986 1.00 31.20 H new ATOM 0 HE3 TRP A 30 -9.904 0.484 -14.313 1.00 41.23 H new ATOM 0 HZ2 TRP A 30 -9.665 -3.346 -17.491 1.00 31.13 H new ATOM 0 HZ3 TRP A 30 -7.844 -0.836 -14.553 1.00 52.10 H new ATOM 0 HH2 TRP A 30 -7.724 -2.712 -16.129 1.00 13.10 H new ATOM 507 N ASP A 31 -15.190 2.127 -13.030 1.00 63.14 N ATOM 508 CA ASP A 31 -15.890 3.234 -12.340 1.00 72.10 C ATOM 509 C ASP A 31 -15.513 3.252 -10.855 1.00 3.35 C ATOM 510 O ASP A 31 -15.094 4.284 -10.318 1.00 64.41 O ATOM 511 CB ASP A 31 -17.434 3.094 -12.460 1.00 30.00 C ATOM 512 CG ASP A 31 -17.927 3.034 -13.912 1.00 53.02 C ATOM 513 OD1 ASP A 31 -18.028 4.094 -14.566 1.00 11.53 O ATOM 514 OD2 ASP A 31 -18.236 1.927 -14.405 1.00 2.25 O ATOM 0 H ASP A 31 -15.817 1.509 -13.546 1.00 63.14 H new ATOM 0 HA ASP A 31 -15.582 4.163 -12.819 1.00 72.10 H new ATOM 0 HB2 ASP A 31 -17.752 2.191 -11.938 1.00 30.00 H new ATOM 0 HB3 ASP A 31 -17.908 3.937 -11.957 1.00 30.00 H new ATOM 519 N LEU A 32 -15.601 2.063 -10.229 1.00 35.33 N ATOM 520 CA LEU A 32 -15.360 1.888 -8.790 1.00 0.15 C ATOM 521 C LEU A 32 -13.899 2.223 -8.428 1.00 0.45 C ATOM 522 O LEU A 32 -13.635 2.706 -7.327 1.00 41.22 O ATOM 523 CB LEU A 32 -15.734 0.449 -8.344 1.00 64.20 C ATOM 524 CG LEU A 32 -17.183 -0.032 -8.703 1.00 50.32 C ATOM 525 CD1 LEU A 32 -17.501 -1.394 -8.057 1.00 13.14 C ATOM 526 CD2 LEU A 32 -18.249 1.027 -8.340 1.00 44.40 C ATOM 0 H LEU A 32 -15.842 1.197 -10.711 1.00 35.33 H new ATOM 0 HA LEU A 32 -16.001 2.585 -8.250 1.00 0.15 H new ATOM 0 HB2 LEU A 32 -15.022 -0.244 -8.792 1.00 64.20 H new ATOM 0 HB3 LEU A 32 -15.608 0.382 -7.263 1.00 64.20 H new ATOM 0 HG LEU A 32 -17.217 -0.164 -9.784 1.00 50.32 H new ATOM 0 HD11 LEU A 32 -18.513 -1.697 -8.326 1.00 13.14 H new ATOM 0 HD12 LEU A 32 -16.791 -2.140 -8.414 1.00 13.14 H new ATOM 0 HD13 LEU A 32 -17.424 -1.309 -6.973 1.00 13.14 H new ATOM 0 HD21 LEU A 32 -19.238 0.653 -8.605 1.00 44.40 H new ATOM 0 HD22 LEU A 32 -18.212 1.228 -7.269 1.00 44.40 H new ATOM 0 HD23 LEU A 32 -18.050 1.947 -8.889 1.00 44.40 H new ATOM 538 N LEU A 33 -12.968 1.985 -9.386 1.00 50.33 N ATOM 539 CA LEU A 33 -11.563 2.424 -9.262 1.00 15.11 C ATOM 540 C LEU A 33 -11.489 3.960 -9.223 1.00 12.21 C ATOM 541 O LEU A 33 -10.798 4.524 -8.382 1.00 1.52 O ATOM 542 CB LEU A 33 -10.659 1.880 -10.418 1.00 3.53 C ATOM 543 CG LEU A 33 -10.184 0.392 -10.305 1.00 2.44 C ATOM 544 CD1 LEU A 33 -11.344 -0.603 -10.474 1.00 4.02 C ATOM 545 CD2 LEU A 33 -9.024 0.093 -11.284 1.00 75.03 C ATOM 0 H LEU A 33 -13.170 1.489 -10.254 1.00 50.33 H new ATOM 0 HA LEU A 33 -11.182 2.010 -8.329 1.00 15.11 H new ATOM 0 HB2 LEU A 33 -11.203 1.992 -11.356 1.00 3.53 H new ATOM 0 HB3 LEU A 33 -9.775 2.514 -10.485 1.00 3.53 H new ATOM 0 HG LEU A 33 -9.802 0.256 -9.293 1.00 2.44 H new ATOM 0 HD11 LEU A 33 -10.965 -1.621 -10.388 1.00 4.02 H new ATOM 0 HD12 LEU A 33 -12.090 -0.427 -9.699 1.00 4.02 H new ATOM 0 HD13 LEU A 33 -11.800 -0.467 -11.455 1.00 4.02 H new ATOM 0 HD21 LEU A 33 -8.719 -0.948 -11.179 1.00 75.03 H new ATOM 0 HD22 LEU A 33 -9.355 0.273 -12.307 1.00 75.03 H new ATOM 0 HD23 LEU A 33 -8.179 0.743 -11.057 1.00 75.03 H new ATOM 557 N LEU A 34 -12.221 4.613 -10.146 1.00 35.45 N ATOM 558 CA LEU A 34 -12.232 6.091 -10.283 1.00 4.12 C ATOM 559 C LEU A 34 -12.801 6.793 -9.021 1.00 72.04 C ATOM 560 O LEU A 34 -12.401 7.924 -8.706 1.00 32.34 O ATOM 561 CB LEU A 34 -13.037 6.495 -11.549 1.00 15.52 C ATOM 562 CG LEU A 34 -12.546 5.851 -12.886 1.00 11.33 C ATOM 563 CD1 LEU A 34 -13.489 6.180 -14.059 1.00 22.44 C ATOM 564 CD2 LEU A 34 -11.084 6.243 -13.203 1.00 14.01 C ATOM 0 H LEU A 34 -12.822 4.136 -10.819 1.00 35.45 H new ATOM 0 HA LEU A 34 -11.200 6.424 -10.390 1.00 4.12 H new ATOM 0 HB2 LEU A 34 -14.082 6.225 -11.397 1.00 15.52 H new ATOM 0 HB3 LEU A 34 -13.000 7.579 -11.652 1.00 15.52 H new ATOM 0 HG LEU A 34 -12.570 4.770 -12.749 1.00 11.33 H new ATOM 0 HD11 LEU A 34 -13.113 5.714 -14.970 1.00 22.44 H new ATOM 0 HD12 LEU A 34 -14.487 5.799 -13.842 1.00 22.44 H new ATOM 0 HD13 LEU A 34 -13.535 7.260 -14.196 1.00 22.44 H new ATOM 0 HD21 LEU A 34 -10.777 5.777 -14.139 1.00 14.01 H new ATOM 0 HD22 LEU A 34 -11.010 7.327 -13.296 1.00 14.01 H new ATOM 0 HD23 LEU A 34 -10.433 5.902 -12.398 1.00 14.01 H new ATOM 576 N GLN A 35 -13.741 6.125 -8.312 1.00 55.34 N ATOM 577 CA GLN A 35 -14.267 6.623 -7.016 1.00 73.11 C ATOM 578 C GLN A 35 -13.234 6.430 -5.890 1.00 51.55 C ATOM 579 O GLN A 35 -12.934 7.372 -5.139 1.00 70.44 O ATOM 580 CB GLN A 35 -15.628 5.962 -6.637 1.00 71.22 C ATOM 581 CG GLN A 35 -16.860 6.549 -7.366 1.00 31.13 C ATOM 582 CD GLN A 35 -16.962 6.147 -8.834 1.00 2.13 C ATOM 583 OE1 GLN A 35 -17.608 5.153 -9.175 1.00 12.14 O ATOM 584 NE2 GLN A 35 -16.314 6.894 -9.713 1.00 2.33 N ATOM 0 H GLN A 35 -14.151 5.241 -8.614 1.00 55.34 H new ATOM 0 HA GLN A 35 -14.451 7.690 -7.138 1.00 73.11 H new ATOM 0 HB2 GLN A 35 -15.570 4.895 -6.853 1.00 71.22 H new ATOM 0 HB3 GLN A 35 -15.778 6.062 -5.562 1.00 71.22 H new ATOM 0 HG2 GLN A 35 -17.763 6.227 -6.848 1.00 31.13 H new ATOM 0 HG3 GLN A 35 -16.825 7.636 -7.299 1.00 31.13 H new ATOM 0 HE21 GLN A 35 -15.788 7.710 -9.400 1.00 2.33 H new ATOM 0 HE22 GLN A 35 -16.340 6.654 -10.704 1.00 2.33 H new ATOM 593 N GLN A 36 -12.681 5.209 -5.800 1.00 11.00 N ATOM 594 CA GLN A 36 -11.666 4.847 -4.786 1.00 74.23 C ATOM 595 C GLN A 36 -10.314 5.553 -5.043 1.00 14.14 C ATOM 596 O GLN A 36 -9.452 5.541 -4.165 1.00 62.13 O ATOM 597 CB GLN A 36 -11.462 3.309 -4.735 1.00 10.11 C ATOM 598 CG GLN A 36 -12.695 2.492 -4.295 1.00 55.11 C ATOM 599 CD GLN A 36 -13.139 2.778 -2.857 1.00 14.03 C ATOM 600 OE1 GLN A 36 -12.332 3.116 -1.993 1.00 63.20 O ATOM 601 NE2 GLN A 36 -14.423 2.640 -2.587 1.00 11.34 N ATOM 0 H GLN A 36 -12.923 4.442 -6.427 1.00 11.00 H new ATOM 0 HA GLN A 36 -12.042 5.188 -3.822 1.00 74.23 H new ATOM 0 HB2 GLN A 36 -11.155 2.967 -5.723 1.00 10.11 H new ATOM 0 HB3 GLN A 36 -10.640 3.091 -4.053 1.00 10.11 H new ATOM 0 HG2 GLN A 36 -13.523 2.706 -4.971 1.00 55.11 H new ATOM 0 HG3 GLN A 36 -12.470 1.430 -4.393 1.00 55.11 H new ATOM 0 HE21 GLN A 36 -15.071 2.358 -3.322 1.00 11.34 H new ATOM 0 HE22 GLN A 36 -14.767 2.815 -1.643 1.00 11.34 H new ATOM 610 N GLU A 37 -10.149 6.124 -6.263 1.00 0.52 N ATOM 611 CA GLU A 37 -8.945 6.871 -6.693 1.00 52.00 C ATOM 612 C GLU A 37 -8.509 7.904 -5.646 1.00 61.44 C ATOM 613 O GLU A 37 -7.378 7.867 -5.185 1.00 34.04 O ATOM 614 CB GLU A 37 -9.224 7.594 -8.034 1.00 63.45 C ATOM 615 CG GLU A 37 -8.057 8.451 -8.584 1.00 1.23 C ATOM 616 CD GLU A 37 -8.474 9.347 -9.758 1.00 25.54 C ATOM 617 OE1 GLU A 37 -8.590 8.841 -10.894 1.00 42.12 O ATOM 618 OE2 GLU A 37 -8.723 10.555 -9.548 1.00 65.33 O ATOM 0 H GLU A 37 -10.865 6.076 -6.988 1.00 0.52 H new ATOM 0 HA GLU A 37 -8.138 6.148 -6.815 1.00 52.00 H new ATOM 0 HB2 GLU A 37 -9.487 6.846 -8.782 1.00 63.45 H new ATOM 0 HB3 GLU A 37 -10.095 8.237 -7.906 1.00 63.45 H new ATOM 0 HG2 GLU A 37 -7.661 9.073 -7.782 1.00 1.23 H new ATOM 0 HG3 GLU A 37 -7.250 7.793 -8.905 1.00 1.23 H new ATOM 625 N VAL A 38 -9.453 8.789 -5.262 1.00 74.03 N ATOM 626 CA VAL A 38 -9.207 9.904 -4.322 1.00 14.20 C ATOM 627 C VAL A 38 -8.668 9.373 -2.971 1.00 43.25 C ATOM 628 O VAL A 38 -7.670 9.880 -2.432 1.00 3.00 O ATOM 629 CB VAL A 38 -10.531 10.735 -4.100 1.00 60.52 C ATOM 630 CG1 VAL A 38 -10.294 11.936 -3.152 1.00 10.52 C ATOM 631 CG2 VAL A 38 -11.126 11.205 -5.457 1.00 21.03 C ATOM 0 H VAL A 38 -10.415 8.750 -5.598 1.00 74.03 H new ATOM 0 HA VAL A 38 -8.452 10.560 -4.756 1.00 14.20 H new ATOM 0 HB VAL A 38 -11.257 10.077 -3.622 1.00 60.52 H new ATOM 0 HG11 VAL A 38 -11.226 12.486 -3.021 1.00 10.52 H new ATOM 0 HG12 VAL A 38 -9.948 11.573 -2.184 1.00 10.52 H new ATOM 0 HG13 VAL A 38 -9.541 12.596 -3.582 1.00 10.52 H new ATOM 0 HG21 VAL A 38 -12.037 11.775 -5.277 1.00 21.03 H new ATOM 0 HG22 VAL A 38 -10.401 11.834 -5.974 1.00 21.03 H new ATOM 0 HG23 VAL A 38 -11.358 10.336 -6.073 1.00 21.03 H new ATOM 641 N SER A 39 -9.322 8.311 -2.484 1.00 22.42 N ATOM 642 CA SER A 39 -8.969 7.634 -1.230 1.00 54.02 C ATOM 643 C SER A 39 -7.601 6.931 -1.336 1.00 52.32 C ATOM 644 O SER A 39 -6.826 6.935 -0.378 1.00 44.14 O ATOM 645 CB SER A 39 -10.075 6.616 -0.889 1.00 65.21 C ATOM 646 OG SER A 39 -11.336 7.259 -0.798 1.00 15.41 O ATOM 0 H SER A 39 -10.123 7.892 -2.957 1.00 22.42 H new ATOM 0 HA SER A 39 -8.889 8.376 -0.436 1.00 54.02 H new ATOM 0 HB2 SER A 39 -10.111 5.840 -1.654 1.00 65.21 H new ATOM 0 HB3 SER A 39 -9.844 6.122 0.055 1.00 65.21 H new ATOM 0 HG SER A 39 -12.026 6.597 -0.583 1.00 15.41 H new ATOM 652 N TYR A 40 -7.313 6.360 -2.528 1.00 33.21 N ATOM 653 CA TYR A 40 -6.088 5.577 -2.788 1.00 72.51 C ATOM 654 C TYR A 40 -4.859 6.495 -2.784 1.00 1.25 C ATOM 655 O TYR A 40 -3.848 6.183 -2.139 1.00 23.41 O ATOM 656 CB TYR A 40 -6.203 4.821 -4.141 1.00 44.51 C ATOM 657 CG TYR A 40 -5.007 3.909 -4.460 1.00 62.42 C ATOM 658 CD1 TYR A 40 -4.807 2.729 -3.741 1.00 1.11 C ATOM 659 CD2 TYR A 40 -4.078 4.227 -5.463 1.00 40.11 C ATOM 660 CE1 TYR A 40 -3.743 1.898 -4.010 1.00 1.11 C ATOM 661 CE2 TYR A 40 -3.008 3.393 -5.733 1.00 32.50 C ATOM 662 CZ TYR A 40 -2.843 2.231 -5.000 1.00 10.22 C ATOM 663 OH TYR A 40 -1.785 1.388 -5.270 1.00 14.22 O ATOM 0 H TYR A 40 -7.928 6.431 -3.339 1.00 33.21 H new ATOM 0 HA TYR A 40 -5.971 4.840 -1.994 1.00 72.51 H new ATOM 0 HB2 TYR A 40 -7.112 4.219 -4.131 1.00 44.51 H new ATOM 0 HB3 TYR A 40 -6.313 5.551 -4.943 1.00 44.51 H new ATOM 0 HD1 TYR A 40 -5.501 2.463 -2.958 1.00 1.11 H new ATOM 0 HD2 TYR A 40 -4.200 5.136 -6.032 1.00 40.11 H new ATOM 0 HE1 TYR A 40 -3.613 0.986 -3.446 1.00 1.11 H new ATOM 0 HE2 TYR A 40 -2.305 3.648 -6.512 1.00 32.50 H new ATOM 0 HH TYR A 40 -1.244 1.764 -5.995 1.00 14.22 H new ATOM 673 N LEU A 41 -4.992 7.634 -3.505 1.00 33.13 N ATOM 674 CA LEU A 41 -3.964 8.686 -3.582 1.00 22.44 C ATOM 675 C LEU A 41 -3.665 9.199 -2.172 1.00 42.32 C ATOM 676 O LEU A 41 -2.521 9.179 -1.741 1.00 13.31 O ATOM 677 CB LEU A 41 -4.428 9.872 -4.481 1.00 42.24 C ATOM 678 CG LEU A 41 -4.846 9.531 -5.945 1.00 53.14 C ATOM 679 CD1 LEU A 41 -5.375 10.781 -6.672 1.00 34.14 C ATOM 680 CD2 LEU A 41 -3.702 8.859 -6.735 1.00 32.45 C ATOM 0 H LEU A 41 -5.826 7.845 -4.053 1.00 33.13 H new ATOM 0 HA LEU A 41 -3.066 8.258 -4.028 1.00 22.44 H new ATOM 0 HB2 LEU A 41 -5.273 10.357 -3.992 1.00 42.24 H new ATOM 0 HB3 LEU A 41 -3.620 10.603 -4.521 1.00 42.24 H new ATOM 0 HG LEU A 41 -5.657 8.805 -5.890 1.00 53.14 H new ATOM 0 HD11 LEU A 41 -5.660 10.516 -7.690 1.00 34.14 H new ATOM 0 HD12 LEU A 41 -6.244 11.170 -6.142 1.00 34.14 H new ATOM 0 HD13 LEU A 41 -4.596 11.543 -6.699 1.00 34.14 H new ATOM 0 HD21 LEU A 41 -4.039 8.640 -7.748 1.00 32.45 H new ATOM 0 HD22 LEU A 41 -2.844 9.530 -6.775 1.00 32.45 H new ATOM 0 HD23 LEU A 41 -3.414 7.932 -6.240 1.00 32.45 H new ATOM 692 N GLN A 42 -4.741 9.584 -1.446 1.00 41.20 N ATOM 693 CA GLN A 42 -4.641 10.139 -0.084 1.00 15.00 C ATOM 694 C GLN A 42 -3.863 9.193 0.857 1.00 13.24 C ATOM 695 O GLN A 42 -2.947 9.632 1.541 1.00 43.04 O ATOM 696 CB GLN A 42 -6.052 10.417 0.496 1.00 45.34 C ATOM 697 CG GLN A 42 -6.047 11.088 1.893 1.00 45.10 C ATOM 698 CD GLN A 42 -7.439 11.260 2.504 1.00 75.11 C ATOM 699 OE1 GLN A 42 -8.437 11.400 1.796 1.00 0.30 O ATOM 700 NE2 GLN A 42 -7.510 11.248 3.827 1.00 60.12 N ATOM 0 H GLN A 42 -5.699 9.517 -1.791 1.00 41.20 H new ATOM 0 HA GLN A 42 -4.091 11.078 -0.153 1.00 15.00 H new ATOM 0 HB2 GLN A 42 -6.598 11.055 -0.199 1.00 45.34 H new ATOM 0 HB3 GLN A 42 -6.598 9.476 0.560 1.00 45.34 H new ATOM 0 HG2 GLN A 42 -5.435 10.491 2.570 1.00 45.10 H new ATOM 0 HG3 GLN A 42 -5.573 12.066 1.814 1.00 45.10 H new ATOM 0 HE21 GLN A 42 -6.663 11.130 4.382 1.00 60.12 H new ATOM 0 HE22 GLN A 42 -8.412 11.357 4.290 1.00 60.12 H new ATOM 709 N SER A 43 -4.227 7.894 0.843 1.00 1.14 N ATOM 710 CA SER A 43 -3.607 6.876 1.709 1.00 0.52 C ATOM 711 C SER A 43 -2.096 6.738 1.418 1.00 23.45 C ATOM 712 O SER A 43 -1.270 7.027 2.296 1.00 44.22 O ATOM 713 CB SER A 43 -4.331 5.520 1.543 1.00 33.22 C ATOM 714 OG SER A 43 -5.682 5.613 1.961 1.00 13.45 O ATOM 0 H SER A 43 -4.956 7.525 0.233 1.00 1.14 H new ATOM 0 HA SER A 43 -3.711 7.199 2.745 1.00 0.52 H new ATOM 0 HB2 SER A 43 -4.290 5.207 0.500 1.00 33.22 H new ATOM 0 HB3 SER A 43 -3.818 4.755 2.126 1.00 33.22 H new ATOM 0 HG SER A 43 -6.208 6.064 1.268 1.00 13.45 H new ATOM 720 N ILE A 44 -1.760 6.381 0.154 1.00 51.41 N ATOM 721 CA ILE A 44 -0.373 6.057 -0.255 1.00 42.43 C ATOM 722 C ILE A 44 0.581 7.262 -0.022 1.00 22.21 C ATOM 723 O ILE A 44 1.708 7.084 0.469 1.00 30.11 O ATOM 724 CB ILE A 44 -0.312 5.533 -1.755 1.00 45.40 C ATOM 725 CG1 ILE A 44 1.082 4.900 -2.078 1.00 13.22 C ATOM 726 CG2 ILE A 44 -0.680 6.636 -2.782 1.00 0.21 C ATOM 727 CD1 ILE A 44 1.225 4.335 -3.489 1.00 74.35 C ATOM 0 H ILE A 44 -2.438 6.310 -0.605 1.00 51.41 H new ATOM 0 HA ILE A 44 -0.025 5.242 0.380 1.00 42.43 H new ATOM 0 HB ILE A 44 -1.067 4.752 -1.847 1.00 45.40 H new ATOM 0 HG12 ILE A 44 1.851 5.657 -1.927 1.00 13.22 H new ATOM 0 HG13 ILE A 44 1.276 4.101 -1.362 1.00 13.22 H new ATOM 0 HG21 ILE A 44 -0.623 6.227 -3.791 1.00 0.21 H new ATOM 0 HG22 ILE A 44 -1.693 6.989 -2.590 1.00 0.21 H new ATOM 0 HG23 ILE A 44 0.018 7.468 -2.688 1.00 0.21 H new ATOM 0 HD11 ILE A 44 2.225 3.919 -3.615 1.00 74.35 H new ATOM 0 HD12 ILE A 44 0.484 3.551 -3.644 1.00 74.35 H new ATOM 0 HD13 ILE A 44 1.069 5.131 -4.217 1.00 74.35 H new ATOM 739 N GLU A 45 0.080 8.484 -0.310 1.00 73.00 N ATOM 740 CA GLU A 45 0.825 9.740 -0.103 1.00 73.12 C ATOM 741 C GLU A 45 1.088 9.981 1.391 1.00 23.31 C ATOM 742 O GLU A 45 2.243 10.113 1.788 1.00 4.33 O ATOM 743 CB GLU A 45 0.060 10.939 -0.729 1.00 32.30 C ATOM 744 CG GLU A 45 -0.034 10.895 -2.274 1.00 2.22 C ATOM 745 CD GLU A 45 1.324 11.072 -2.976 1.00 24.04 C ATOM 746 OE1 GLU A 45 1.723 12.235 -3.212 1.00 1.41 O ATOM 747 OE2 GLU A 45 2.005 10.060 -3.272 1.00 71.34 O ATOM 0 H GLU A 45 -0.855 8.624 -0.693 1.00 73.00 H new ATOM 0 HA GLU A 45 1.789 9.650 -0.604 1.00 73.12 H new ATOM 0 HB2 GLU A 45 -0.948 10.968 -0.316 1.00 32.30 H new ATOM 0 HB3 GLU A 45 0.553 11.865 -0.432 1.00 32.30 H new ATOM 0 HG2 GLU A 45 -0.469 9.943 -2.577 1.00 2.22 H new ATOM 0 HG3 GLU A 45 -0.713 11.678 -2.611 1.00 2.22 H new ATOM 754 N THR A 46 0.006 9.967 2.208 1.00 43.21 N ATOM 755 CA THR A 46 0.079 10.229 3.672 1.00 5.24 C ATOM 756 C THR A 46 1.059 9.264 4.384 1.00 5.51 C ATOM 757 O THR A 46 1.695 9.630 5.367 1.00 11.14 O ATOM 758 CB THR A 46 -1.346 10.144 4.338 1.00 35.33 C ATOM 759 OG1 THR A 46 -2.226 11.082 3.693 1.00 13.54 O ATOM 760 CG2 THR A 46 -1.328 10.446 5.851 1.00 23.01 C ATOM 0 H THR A 46 -0.939 9.775 1.875 1.00 43.21 H new ATOM 0 HA THR A 46 0.460 11.243 3.792 1.00 5.24 H new ATOM 0 HB THR A 46 -1.693 9.118 4.213 1.00 35.33 H new ATOM 0 HG1 THR A 46 -2.676 10.644 2.940 1.00 13.54 H new ATOM 0 HG21 THR A 46 -2.340 10.371 6.249 1.00 23.01 H new ATOM 0 HG22 THR A 46 -0.684 9.727 6.358 1.00 23.01 H new ATOM 0 HG23 THR A 46 -0.947 11.454 6.016 1.00 23.01 H new ATOM 768 N VAL A 47 1.181 8.038 3.867 1.00 45.20 N ATOM 769 CA VAL A 47 2.122 7.048 4.417 1.00 25.33 C ATOM 770 C VAL A 47 3.576 7.364 3.996 1.00 20.31 C ATOM 771 O VAL A 47 4.479 7.360 4.841 1.00 74.35 O ATOM 772 CB VAL A 47 1.724 5.598 3.985 1.00 54.10 C ATOM 773 CG1 VAL A 47 2.682 4.541 4.578 1.00 21.15 C ATOM 774 CG2 VAL A 47 0.268 5.309 4.394 1.00 62.43 C ATOM 0 H VAL A 47 0.642 7.704 3.068 1.00 45.20 H new ATOM 0 HA VAL A 47 2.067 7.107 5.504 1.00 25.33 H new ATOM 0 HB VAL A 47 1.807 5.534 2.900 1.00 54.10 H new ATOM 0 HG11 VAL A 47 2.372 3.547 4.255 1.00 21.15 H new ATOM 0 HG12 VAL A 47 3.697 4.735 4.232 1.00 21.15 H new ATOM 0 HG13 VAL A 47 2.654 4.594 5.666 1.00 21.15 H new ATOM 0 HG21 VAL A 47 -0.001 4.298 4.090 1.00 62.43 H new ATOM 0 HG22 VAL A 47 0.169 5.401 5.476 1.00 62.43 H new ATOM 0 HG23 VAL A 47 -0.395 6.023 3.907 1.00 62.43 H new ATOM 784 N MET A 48 3.790 7.665 2.694 1.00 72.14 N ATOM 785 CA MET A 48 5.151 7.899 2.143 1.00 75.24 C ATOM 786 C MET A 48 5.738 9.273 2.555 1.00 23.52 C ATOM 787 O MET A 48 6.959 9.460 2.500 1.00 3.10 O ATOM 788 CB MET A 48 5.160 7.745 0.596 1.00 60.20 C ATOM 789 CG MET A 48 4.824 6.330 0.097 1.00 61.34 C ATOM 790 SD MET A 48 5.024 6.143 -1.693 1.00 45.11 S ATOM 791 CE MET A 48 3.871 7.357 -2.328 1.00 4.12 C ATOM 0 H MET A 48 3.043 7.752 2.005 1.00 72.14 H new ATOM 0 HA MET A 48 5.795 7.135 2.578 1.00 75.24 H new ATOM 0 HB2 MET A 48 4.444 8.447 0.169 1.00 60.20 H new ATOM 0 HB3 MET A 48 6.144 8.025 0.221 1.00 60.20 H new ATOM 0 HG2 MET A 48 5.465 5.610 0.606 1.00 61.34 H new ATOM 0 HG3 MET A 48 3.796 6.090 0.369 1.00 61.34 H new ATOM 0 HE1 MET A 48 3.344 6.943 -3.188 1.00 4.12 H new ATOM 0 HE2 MET A 48 3.151 7.616 -1.552 1.00 4.12 H new ATOM 0 HE3 MET A 48 4.415 8.251 -2.632 1.00 4.12 H new ATOM 801 N GLU A 49 4.868 10.231 2.944 1.00 12.41 N ATOM 802 CA GLU A 49 5.307 11.574 3.411 1.00 1.43 C ATOM 803 C GLU A 49 5.697 11.542 4.899 1.00 54.15 C ATOM 804 O GLU A 49 6.642 12.214 5.320 1.00 44.34 O ATOM 805 CB GLU A 49 4.171 12.620 3.248 1.00 53.12 C ATOM 806 CG GLU A 49 3.712 12.891 1.811 1.00 75.23 C ATOM 807 CD GLU A 49 2.516 13.857 1.755 1.00 4.52 C ATOM 808 OE1 GLU A 49 2.660 14.993 1.240 1.00 30.40 O ATOM 809 OE2 GLU A 49 1.431 13.496 2.271 1.00 63.13 O ATOM 0 H GLU A 49 3.856 10.103 2.945 1.00 12.41 H new ATOM 0 HA GLU A 49 6.167 11.852 2.801 1.00 1.43 H new ATOM 0 HB2 GLU A 49 3.310 12.286 3.827 1.00 53.12 H new ATOM 0 HB3 GLU A 49 4.504 13.561 3.686 1.00 53.12 H new ATOM 0 HG2 GLU A 49 4.541 13.308 1.239 1.00 75.23 H new ATOM 0 HG3 GLU A 49 3.439 11.949 1.335 1.00 75.23 H new ATOM 816 N LYS A 50 4.944 10.754 5.680 1.00 21.14 N ATOM 817 CA LYS A 50 5.038 10.754 7.152 1.00 32.34 C ATOM 818 C LYS A 50 6.052 9.703 7.613 1.00 64.52 C ATOM 819 O LYS A 50 6.213 8.651 6.978 1.00 24.40 O ATOM 820 CB LYS A 50 3.634 10.543 7.807 1.00 40.34 C ATOM 821 CG LYS A 50 2.731 11.814 7.855 1.00 43.52 C ATOM 822 CD LYS A 50 2.440 12.440 6.466 1.00 5.03 C ATOM 823 CE LYS A 50 1.472 13.623 6.504 1.00 20.53 C ATOM 824 NZ LYS A 50 1.263 14.208 5.154 1.00 12.41 N ATOM 0 H LYS A 50 4.253 10.099 5.313 1.00 21.14 H new ATOM 0 HA LYS A 50 5.394 11.730 7.482 1.00 32.34 H new ATOM 0 HB2 LYS A 50 3.107 9.762 7.258 1.00 40.34 H new ATOM 0 HB3 LYS A 50 3.776 10.178 8.824 1.00 40.34 H new ATOM 0 HG2 LYS A 50 1.785 11.556 8.330 1.00 43.52 H new ATOM 0 HG3 LYS A 50 3.210 12.563 8.485 1.00 43.52 H new ATOM 0 HD2 LYS A 50 3.380 12.768 6.023 1.00 5.03 H new ATOM 0 HD3 LYS A 50 2.031 11.671 5.811 1.00 5.03 H new ATOM 0 HE2 LYS A 50 0.515 13.297 6.911 1.00 20.53 H new ATOM 0 HE3 LYS A 50 1.860 14.389 7.176 1.00 20.53 H new ATOM 0 HZ1 LYS A 50 0.261 14.460 5.036 1.00 12.41 H new ATOM 0 HZ2 LYS A 50 1.849 15.061 5.051 1.00 12.41 H new ATOM 0 HZ3 LYS A 50 1.533 13.513 4.429 1.00 12.41 H new ATOM 838 N GLN A 51 6.731 10.020 8.721 1.00 4.54 N ATOM 839 CA GLN A 51 7.834 9.217 9.247 1.00 25.41 C ATOM 840 C GLN A 51 7.311 7.903 9.854 1.00 35.41 C ATOM 841 O GLN A 51 6.292 7.893 10.559 1.00 54.11 O ATOM 842 CB GLN A 51 8.612 10.023 10.320 1.00 73.33 C ATOM 843 CG GLN A 51 9.915 9.351 10.824 1.00 73.40 C ATOM 844 CD GLN A 51 10.559 10.031 12.043 1.00 4.33 C ATOM 845 OE1 GLN A 51 11.239 9.377 12.833 1.00 14.31 O ATOM 846 NE2 GLN A 51 10.362 11.332 12.220 1.00 62.24 N ATOM 0 H GLN A 51 6.527 10.848 9.280 1.00 4.54 H new ATOM 0 HA GLN A 51 8.506 8.973 8.424 1.00 25.41 H new ATOM 0 HB2 GLN A 51 8.861 11.001 9.909 1.00 73.33 H new ATOM 0 HB3 GLN A 51 7.955 10.193 11.173 1.00 73.33 H new ATOM 0 HG2 GLN A 51 9.698 8.313 11.077 1.00 73.40 H new ATOM 0 HG3 GLN A 51 10.639 9.336 10.009 1.00 73.40 H new ATOM 0 HE21 GLN A 51 9.795 11.857 11.554 1.00 62.24 H new ATOM 0 HE22 GLN A 51 10.777 11.806 13.022 1.00 62.24 H new ATOM 855 N THR A 52 8.019 6.810 9.546 1.00 40.33 N ATOM 856 CA THR A 52 7.774 5.491 10.132 1.00 63.45 C ATOM 857 C THR A 52 8.203 5.482 11.627 1.00 74.14 C ATOM 858 O THR A 52 9.292 5.995 11.939 1.00 51.14 O ATOM 859 CB THR A 52 8.567 4.408 9.332 1.00 5.31 C ATOM 860 OG1 THR A 52 8.198 4.476 7.943 1.00 33.53 O ATOM 861 CG2 THR A 52 8.302 2.992 9.861 1.00 42.41 C ATOM 0 H THR A 52 8.787 6.819 8.875 1.00 40.33 H new ATOM 0 HA THR A 52 6.709 5.265 10.077 1.00 63.45 H new ATOM 0 HB THR A 52 9.630 4.615 9.455 1.00 5.31 H new ATOM 0 HG1 THR A 52 7.229 4.361 7.856 1.00 33.53 H new ATOM 0 HG21 THR A 52 8.874 2.272 9.275 1.00 42.41 H new ATOM 0 HG22 THR A 52 8.605 2.932 10.906 1.00 42.41 H new ATOM 0 HG23 THR A 52 7.239 2.765 9.777 1.00 42.41 H new ATOM 869 N PRO A 53 7.349 4.942 12.571 1.00 45.34 N ATOM 870 CA PRO A 53 7.710 4.850 14.014 1.00 22.44 C ATOM 871 C PRO A 53 9.004 4.023 14.270 1.00 50.21 C ATOM 872 O PRO A 53 9.321 3.118 13.488 1.00 73.12 O ATOM 873 CB PRO A 53 6.467 4.161 14.654 1.00 11.44 C ATOM 874 CG PRO A 53 5.344 4.436 13.698 1.00 52.21 C ATOM 875 CD PRO A 53 5.972 4.431 12.322 1.00 72.02 C ATOM 0 HA PRO A 53 7.934 5.829 14.437 1.00 22.44 H new ATOM 0 HB2 PRO A 53 6.628 3.090 14.778 1.00 11.44 H new ATOM 0 HB3 PRO A 53 6.254 4.568 15.643 1.00 11.44 H new ATOM 0 HG2 PRO A 53 4.567 3.676 13.777 1.00 52.21 H new ATOM 0 HG3 PRO A 53 4.874 5.396 13.911 1.00 52.21 H new ATOM 0 HD2 PRO A 53 5.986 3.430 11.890 1.00 72.02 H new ATOM 0 HD3 PRO A 53 5.425 5.070 11.628 1.00 72.02 H new ATOM 883 N PRO A 54 9.757 4.324 15.381 1.00 63.11 N ATOM 884 CA PRO A 54 10.919 3.510 15.813 1.00 70.23 C ATOM 885 C PRO A 54 10.466 2.128 16.323 1.00 33.42 C ATOM 886 O PRO A 54 11.044 1.095 15.954 1.00 71.24 O ATOM 887 CB PRO A 54 11.572 4.365 16.947 1.00 33.43 C ATOM 888 CG PRO A 54 10.961 5.734 16.811 1.00 33.50 C ATOM 889 CD PRO A 54 9.567 5.495 16.283 1.00 51.43 C ATOM 0 HA PRO A 54 11.617 3.299 15.003 1.00 70.23 H new ATOM 0 HB2 PRO A 54 11.368 3.938 17.929 1.00 33.43 H new ATOM 0 HB3 PRO A 54 12.656 4.405 16.836 1.00 33.43 H new ATOM 0 HG2 PRO A 54 10.935 6.251 17.770 1.00 33.50 H new ATOM 0 HG3 PRO A 54 11.539 6.357 16.129 1.00 33.50 H new ATOM 0 HD2 PRO A 54 8.861 5.278 17.085 1.00 51.43 H new ATOM 0 HD3 PRO A 54 9.183 6.362 15.746 1.00 51.43 H new ATOM 897 N GLY A 55 9.428 2.152 17.184 1.00 70.32 N ATOM 898 CA GLY A 55 8.861 0.956 17.794 1.00 63.44 C ATOM 899 C GLY A 55 8.127 0.063 16.795 1.00 30.42 C ATOM 900 O GLY A 55 6.918 0.201 16.587 1.00 15.45 O ATOM 0 H GLY A 55 8.964 3.014 17.470 1.00 70.32 H new ATOM 0 HA2 GLY A 55 9.659 0.383 18.266 1.00 63.44 H new ATOM 0 HA3 GLY A 55 8.170 1.251 18.584 1.00 63.44 H new ATOM 904 N ILE A 56 8.889 -0.833 16.156 1.00 12.24 N ATOM 905 CA ILE A 56 8.374 -1.874 15.252 1.00 45.25 C ATOM 906 C ILE A 56 8.947 -3.225 15.708 1.00 52.45 C ATOM 907 O ILE A 56 10.172 -3.374 15.824 1.00 15.32 O ATOM 908 CB ILE A 56 8.788 -1.598 13.756 1.00 0.53 C ATOM 909 CG1 ILE A 56 8.191 -0.251 13.249 1.00 22.13 C ATOM 910 CG2 ILE A 56 8.405 -2.771 12.811 1.00 2.32 C ATOM 911 CD1 ILE A 56 8.614 0.122 11.844 1.00 53.21 C ATOM 0 H ILE A 56 9.904 -0.857 16.254 1.00 12.24 H new ATOM 0 HA ILE A 56 7.285 -1.878 15.294 1.00 45.25 H new ATOM 0 HB ILE A 56 9.875 -1.518 13.737 1.00 0.53 H new ATOM 0 HG12 ILE A 56 7.103 -0.311 13.286 1.00 22.13 H new ATOM 0 HG13 ILE A 56 8.489 0.546 13.930 1.00 22.13 H new ATOM 0 HG21 ILE A 56 8.711 -2.532 11.792 1.00 2.32 H new ATOM 0 HG22 ILE A 56 8.909 -3.681 13.138 1.00 2.32 H new ATOM 0 HG23 ILE A 56 7.326 -2.924 12.839 1.00 2.32 H new ATOM 0 HD11 ILE A 56 8.156 1.071 11.566 1.00 53.21 H new ATOM 0 HD12 ILE A 56 9.699 0.217 11.804 1.00 53.21 H new ATOM 0 HD13 ILE A 56 8.292 -0.653 11.149 1.00 53.21 H new ATOM 923 N THR A 57 8.063 -4.191 15.986 1.00 31.42 N ATOM 924 CA THR A 57 8.465 -5.559 16.356 1.00 54.24 C ATOM 925 C THR A 57 8.701 -6.384 15.077 1.00 41.03 C ATOM 926 O THR A 57 8.537 -5.874 13.958 1.00 21.55 O ATOM 927 CB THR A 57 7.373 -6.253 17.241 1.00 61.44 C ATOM 928 OG1 THR A 57 6.202 -6.523 16.453 1.00 22.43 O ATOM 929 CG2 THR A 57 6.983 -5.395 18.461 1.00 61.34 C ATOM 0 H THR A 57 7.053 -4.050 15.962 1.00 31.42 H new ATOM 0 HA THR A 57 9.385 -5.503 16.938 1.00 54.24 H new ATOM 0 HB THR A 57 7.800 -7.185 17.611 1.00 61.44 H new ATOM 0 HG1 THR A 57 5.525 -6.958 17.012 1.00 22.43 H new ATOM 0 HG21 THR A 57 6.224 -5.916 19.045 1.00 61.34 H new ATOM 0 HG22 THR A 57 7.863 -5.223 19.081 1.00 61.34 H new ATOM 0 HG23 THR A 57 6.586 -4.438 18.121 1.00 61.34 H new ATOM 937 N ARG A 58 9.090 -7.653 15.255 1.00 22.34 N ATOM 938 CA ARG A 58 9.277 -8.592 14.145 1.00 35.00 C ATOM 939 C ARG A 58 7.928 -8.848 13.446 1.00 54.33 C ATOM 940 O ARG A 58 7.834 -8.769 12.218 1.00 61.12 O ATOM 941 CB ARG A 58 9.877 -9.921 14.668 1.00 72.00 C ATOM 942 CG ARG A 58 10.220 -10.950 13.570 1.00 51.15 C ATOM 943 CD ARG A 58 11.298 -10.440 12.601 1.00 14.43 C ATOM 944 NE ARG A 58 11.605 -11.441 11.569 1.00 73.30 N ATOM 945 CZ ARG A 58 11.177 -11.407 10.299 1.00 73.44 C ATOM 946 NH1 ARG A 58 10.411 -10.408 9.860 1.00 71.55 N ATOM 947 NH2 ARG A 58 11.482 -12.397 9.482 1.00 10.12 N ATOM 0 H ARG A 58 9.283 -8.056 16.172 1.00 22.34 H new ATOM 0 HA ARG A 58 9.970 -8.160 13.423 1.00 35.00 H new ATOM 0 HB2 ARG A 58 10.782 -9.698 15.233 1.00 72.00 H new ATOM 0 HB3 ARG A 58 9.170 -10.374 15.363 1.00 72.00 H new ATOM 0 HG2 ARG A 58 10.563 -11.873 14.037 1.00 51.15 H new ATOM 0 HG3 ARG A 58 9.317 -11.192 13.009 1.00 51.15 H new ATOM 0 HD2 ARG A 58 10.958 -9.519 12.128 1.00 14.43 H new ATOM 0 HD3 ARG A 58 12.204 -10.197 13.156 1.00 14.43 H new ATOM 0 HE ARG A 58 12.193 -12.228 11.842 1.00 73.30 H new ATOM 0 HH11 ARG A 58 10.142 -9.655 10.493 1.00 71.55 H new ATOM 0 HH12 ARG A 58 10.094 -10.397 8.891 1.00 71.55 H new ATOM 0 HH21 ARG A 58 12.040 -13.182 9.818 1.00 10.12 H new ATOM 0 HH22 ARG A 58 11.160 -12.378 8.514 1.00 10.12 H new ATOM 961 N SER A 59 6.884 -9.113 14.267 1.00 34.11 N ATOM 962 CA SER A 59 5.513 -9.374 13.789 1.00 11.43 C ATOM 963 C SER A 59 4.949 -8.166 13.015 1.00 52.05 C ATOM 964 O SER A 59 4.305 -8.339 11.977 1.00 45.25 O ATOM 965 CB SER A 59 4.594 -9.699 14.988 1.00 2.52 C ATOM 966 OG SER A 59 5.133 -10.741 15.783 1.00 11.34 O ATOM 0 H SER A 59 6.974 -9.151 15.282 1.00 34.11 H new ATOM 0 HA SER A 59 5.548 -10.226 13.110 1.00 11.43 H new ATOM 0 HB2 SER A 59 4.459 -8.806 15.598 1.00 2.52 H new ATOM 0 HB3 SER A 59 3.608 -9.989 14.625 1.00 2.52 H new ATOM 0 HG SER A 59 4.531 -10.924 16.535 1.00 11.34 H new ATOM 972 N ILE A 60 5.211 -6.947 13.541 1.00 1.51 N ATOM 973 CA ILE A 60 4.787 -5.682 12.905 1.00 72.21 C ATOM 974 C ILE A 60 5.487 -5.502 11.552 1.00 34.31 C ATOM 975 O ILE A 60 4.843 -5.121 10.581 1.00 33.11 O ATOM 976 CB ILE A 60 5.047 -4.434 13.834 1.00 71.01 C ATOM 977 CG1 ILE A 60 4.175 -4.529 15.124 1.00 65.23 C ATOM 978 CG2 ILE A 60 4.790 -3.091 13.091 1.00 64.30 C ATOM 979 CD1 ILE A 60 4.474 -3.472 16.175 1.00 65.02 C ATOM 0 H ILE A 60 5.720 -6.815 14.415 1.00 1.51 H new ATOM 0 HA ILE A 60 3.711 -5.744 12.742 1.00 72.21 H new ATOM 0 HB ILE A 60 6.099 -4.447 14.117 1.00 71.01 H new ATOM 0 HG12 ILE A 60 3.125 -4.454 14.842 1.00 65.23 H new ATOM 0 HG13 ILE A 60 4.316 -5.514 15.569 1.00 65.23 H new ATOM 0 HG21 ILE A 60 4.981 -2.258 13.768 1.00 64.30 H new ATOM 0 HG22 ILE A 60 5.455 -3.019 12.230 1.00 64.30 H new ATOM 0 HG23 ILE A 60 3.754 -3.054 12.754 1.00 64.30 H new ATOM 0 HD11 ILE A 60 3.820 -3.618 17.034 1.00 65.02 H new ATOM 0 HD12 ILE A 60 5.513 -3.558 16.492 1.00 65.02 H new ATOM 0 HD13 ILE A 60 4.304 -2.481 15.753 1.00 65.02 H new ATOM 991 N GLN A 61 6.794 -5.823 11.505 1.00 13.44 N ATOM 992 CA GLN A 61 7.587 -5.780 10.264 1.00 35.11 C ATOM 993 C GLN A 61 6.966 -6.701 9.192 1.00 72.34 C ATOM 994 O GLN A 61 6.880 -6.325 8.029 1.00 74.14 O ATOM 995 CB GLN A 61 9.048 -6.210 10.545 1.00 21.23 C ATOM 996 CG GLN A 61 9.948 -6.299 9.289 1.00 72.52 C ATOM 997 CD GLN A 61 11.299 -6.944 9.551 1.00 53.03 C ATOM 998 OE1 GLN A 61 11.438 -7.780 10.449 1.00 61.02 O ATOM 999 NE2 GLN A 61 12.296 -6.595 8.753 1.00 70.10 N ATOM 0 H GLN A 61 7.327 -6.118 12.323 1.00 13.44 H new ATOM 0 HA GLN A 61 7.584 -4.756 9.891 1.00 35.11 H new ATOM 0 HB2 GLN A 61 9.493 -5.502 11.245 1.00 21.23 H new ATOM 0 HB3 GLN A 61 9.038 -7.182 11.038 1.00 21.23 H new ATOM 0 HG2 GLN A 61 9.427 -6.868 8.519 1.00 72.52 H new ATOM 0 HG3 GLN A 61 10.105 -5.296 8.893 1.00 72.52 H new ATOM 0 HE21 GLN A 61 12.145 -5.901 8.021 1.00 70.10 H new ATOM 0 HE22 GLN A 61 13.216 -7.021 8.870 1.00 70.10 H new ATOM 1008 N ASP A 62 6.530 -7.903 9.617 1.00 64.43 N ATOM 1009 CA ASP A 62 5.918 -8.907 8.719 1.00 34.12 C ATOM 1010 C ASP A 62 4.539 -8.460 8.207 1.00 11.12 C ATOM 1011 O ASP A 62 4.209 -8.700 7.038 1.00 5.42 O ATOM 1012 CB ASP A 62 5.806 -10.285 9.428 1.00 43.33 C ATOM 1013 CG ASP A 62 7.170 -10.975 9.592 1.00 72.40 C ATOM 1014 OD1 ASP A 62 7.795 -11.296 8.556 1.00 5.14 O ATOM 1015 OD2 ASP A 62 7.614 -11.223 10.736 1.00 13.02 O ATOM 0 H ASP A 62 6.591 -8.206 10.589 1.00 64.43 H new ATOM 0 HA ASP A 62 6.575 -9.005 7.855 1.00 34.12 H new ATOM 0 HB2 ASP A 62 5.351 -10.149 10.409 1.00 43.33 H new ATOM 0 HB3 ASP A 62 5.142 -10.932 8.855 1.00 43.33 H new ATOM 1020 N MET A 63 3.736 -7.824 9.090 1.00 54.45 N ATOM 1021 CA MET A 63 2.380 -7.342 8.734 1.00 63.45 C ATOM 1022 C MET A 63 2.463 -6.171 7.740 1.00 34.04 C ATOM 1023 O MET A 63 1.757 -6.156 6.721 1.00 42.01 O ATOM 1024 CB MET A 63 1.569 -6.929 9.998 1.00 0.21 C ATOM 1025 CG MET A 63 1.257 -8.093 10.951 1.00 4.31 C ATOM 1026 SD MET A 63 0.183 -7.623 12.326 1.00 44.14 S ATOM 1027 CE MET A 63 1.144 -6.371 13.161 1.00 53.43 C ATOM 0 H MET A 63 4.003 -7.632 10.055 1.00 54.45 H new ATOM 0 HA MET A 63 1.853 -8.168 8.257 1.00 63.45 H new ATOM 0 HB2 MET A 63 2.128 -6.168 10.542 1.00 0.21 H new ATOM 0 HB3 MET A 63 0.632 -6.471 9.682 1.00 0.21 H new ATOM 0 HG2 MET A 63 0.784 -8.897 10.388 1.00 4.31 H new ATOM 0 HG3 MET A 63 2.192 -8.489 11.348 1.00 4.31 H new ATOM 0 HE1 MET A 63 0.543 -5.916 13.948 1.00 53.43 H new ATOM 0 HE2 MET A 63 2.032 -6.826 13.600 1.00 53.43 H new ATOM 0 HE3 MET A 63 1.444 -5.606 12.446 1.00 53.43 H new ATOM 1037 N VAL A 64 3.361 -5.219 8.051 1.00 54.10 N ATOM 1038 CA VAL A 64 3.612 -4.036 7.224 1.00 5.10 C ATOM 1039 C VAL A 64 4.180 -4.462 5.858 1.00 50.44 C ATOM 1040 O VAL A 64 3.524 -4.237 4.852 1.00 31.41 O ATOM 1041 CB VAL A 64 4.558 -3.005 7.962 1.00 21.34 C ATOM 1042 CG1 VAL A 64 4.997 -1.849 7.029 1.00 12.13 C ATOM 1043 CG2 VAL A 64 3.860 -2.445 9.233 1.00 51.03 C ATOM 0 H VAL A 64 3.936 -5.254 8.893 1.00 54.10 H new ATOM 0 HA VAL A 64 2.666 -3.522 7.053 1.00 5.10 H new ATOM 0 HB VAL A 64 5.459 -3.542 8.258 1.00 21.34 H new ATOM 0 HG11 VAL A 64 5.645 -1.165 7.577 1.00 12.13 H new ATOM 0 HG12 VAL A 64 5.538 -2.256 6.175 1.00 12.13 H new ATOM 0 HG13 VAL A 64 4.117 -1.311 6.677 1.00 12.13 H new ATOM 0 HG21 VAL A 64 4.523 -1.737 9.730 1.00 51.03 H new ATOM 0 HG22 VAL A 64 2.937 -1.940 8.948 1.00 51.03 H new ATOM 0 HG23 VAL A 64 3.630 -3.265 9.913 1.00 51.03 H new ATOM 1053 N ALA A 65 5.354 -5.152 5.849 1.00 53.24 N ATOM 1054 CA ALA A 65 6.027 -5.608 4.597 1.00 14.00 C ATOM 1055 C ALA A 65 5.151 -6.572 3.793 1.00 2.23 C ATOM 1056 O ALA A 65 5.280 -6.641 2.573 1.00 51.20 O ATOM 1057 CB ALA A 65 7.393 -6.273 4.877 1.00 41.31 C ATOM 0 H ALA A 65 5.857 -5.406 6.699 1.00 53.24 H new ATOM 0 HA ALA A 65 6.193 -4.707 4.006 1.00 14.00 H new ATOM 0 HB1 ALA A 65 7.844 -6.588 3.936 1.00 41.31 H new ATOM 0 HB2 ALA A 65 8.050 -5.559 5.373 1.00 41.31 H new ATOM 0 HB3 ALA A 65 7.250 -7.142 5.519 1.00 41.31 H new ATOM 1063 N GLY A 66 4.291 -7.331 4.496 1.00 33.25 N ATOM 1064 CA GLY A 66 3.338 -8.230 3.852 1.00 35.01 C ATOM 1065 C GLY A 66 2.277 -7.467 3.066 1.00 65.42 C ATOM 1066 O GLY A 66 1.928 -7.853 1.949 1.00 61.42 O ATOM 0 H GLY A 66 4.243 -7.334 5.515 1.00 33.25 H new ATOM 0 HA2 GLY A 66 3.871 -8.904 3.182 1.00 35.01 H new ATOM 0 HA3 GLY A 66 2.855 -8.849 4.608 1.00 35.01 H new ATOM 1070 N TYR A 67 1.776 -6.368 3.664 1.00 72.11 N ATOM 1071 CA TYR A 67 0.788 -5.484 3.022 1.00 12.30 C ATOM 1072 C TYR A 67 1.417 -4.588 1.963 1.00 13.42 C ATOM 1073 O TYR A 67 0.735 -4.239 0.991 1.00 45.51 O ATOM 1074 CB TYR A 67 0.014 -4.661 4.080 1.00 62.53 C ATOM 1075 CG TYR A 67 -1.053 -5.468 4.840 1.00 70.24 C ATOM 1076 CD1 TYR A 67 -1.611 -6.646 4.304 1.00 24.21 C ATOM 1077 CD2 TYR A 67 -1.523 -5.039 6.070 1.00 4.10 C ATOM 1078 CE1 TYR A 67 -2.594 -7.344 4.969 1.00 71.41 C ATOM 1079 CE2 TYR A 67 -2.499 -5.742 6.732 1.00 74.22 C ATOM 1080 CZ TYR A 67 -3.032 -6.891 6.185 1.00 64.54 C ATOM 1081 OH TYR A 67 -4.018 -7.575 6.865 1.00 60.42 O ATOM 0 H TYR A 67 2.045 -6.071 4.602 1.00 72.11 H new ATOM 0 HA TYR A 67 0.073 -6.121 2.502 1.00 12.30 H new ATOM 0 HB2 TYR A 67 0.724 -4.251 4.798 1.00 62.53 H new ATOM 0 HB3 TYR A 67 -0.466 -3.815 3.588 1.00 62.53 H new ATOM 0 HD1 TYR A 67 -1.259 -7.010 3.350 1.00 24.21 H new ATOM 0 HD2 TYR A 67 -1.117 -4.142 6.513 1.00 4.10 H new ATOM 0 HE1 TYR A 67 -3.015 -8.239 4.536 1.00 71.41 H new ATOM 0 HE2 TYR A 67 -2.853 -5.392 7.690 1.00 74.22 H new ATOM 0 HH TYR A 67 -4.209 -7.118 7.711 1.00 60.42 H new ATOM 1091 N ILE A 68 2.715 -4.238 2.136 1.00 11.22 N ATOM 1092 CA ILE A 68 3.470 -3.520 1.103 1.00 73.35 C ATOM 1093 C ILE A 68 3.565 -4.444 -0.115 1.00 33.14 C ATOM 1094 O ILE A 68 3.179 -4.049 -1.199 1.00 35.30 O ATOM 1095 CB ILE A 68 4.920 -3.054 1.532 1.00 1.44 C ATOM 1096 CG1 ILE A 68 4.903 -2.260 2.871 1.00 32.41 C ATOM 1097 CG2 ILE A 68 5.559 -2.189 0.409 1.00 61.00 C ATOM 1098 CD1 ILE A 68 6.273 -1.827 3.385 1.00 21.45 C ATOM 0 H ILE A 68 3.250 -4.444 2.979 1.00 11.22 H new ATOM 0 HA ILE A 68 2.932 -2.595 0.894 1.00 73.35 H new ATOM 0 HB ILE A 68 5.520 -3.951 1.687 1.00 1.44 H new ATOM 0 HG12 ILE A 68 4.284 -1.372 2.741 1.00 32.41 H new ATOM 0 HG13 ILE A 68 4.424 -2.874 3.633 1.00 32.41 H new ATOM 0 HG21 ILE A 68 6.557 -1.874 0.715 1.00 61.00 H new ATOM 0 HG22 ILE A 68 5.629 -2.776 -0.507 1.00 61.00 H new ATOM 0 HG23 ILE A 68 4.940 -1.310 0.230 1.00 61.00 H new ATOM 0 HD11 ILE A 68 6.155 -1.282 4.321 1.00 21.45 H new ATOM 0 HD12 ILE A 68 6.893 -2.707 3.554 1.00 21.45 H new ATOM 0 HD13 ILE A 68 6.751 -1.182 2.648 1.00 21.45 H new ATOM 1110 N LYS A 69 3.991 -5.711 0.126 1.00 13.53 N ATOM 1111 CA LYS A 69 4.074 -6.767 -0.909 1.00 55.11 C ATOM 1112 C LYS A 69 2.750 -6.907 -1.662 1.00 2.24 C ATOM 1113 O LYS A 69 2.736 -6.915 -2.896 1.00 5.13 O ATOM 1114 CB LYS A 69 4.449 -8.142 -0.275 1.00 24.43 C ATOM 1115 CG LYS A 69 4.270 -9.350 -1.222 1.00 12.14 C ATOM 1116 CD LYS A 69 4.732 -10.692 -0.622 1.00 54.35 C ATOM 1117 CE LYS A 69 4.248 -11.889 -1.468 1.00 45.11 C ATOM 1118 NZ LYS A 69 4.495 -11.694 -2.924 1.00 0.43 N ATOM 0 H LYS A 69 4.287 -6.027 1.049 1.00 13.53 H new ATOM 0 HA LYS A 69 4.853 -6.470 -1.610 1.00 55.11 H new ATOM 0 HB2 LYS A 69 5.487 -8.105 0.055 1.00 24.43 H new ATOM 0 HB3 LYS A 69 3.837 -8.298 0.613 1.00 24.43 H new ATOM 0 HG2 LYS A 69 3.218 -9.430 -1.497 1.00 12.14 H new ATOM 0 HG3 LYS A 69 4.827 -9.164 -2.141 1.00 12.14 H new ATOM 0 HD2 LYS A 69 5.820 -10.707 -0.558 1.00 54.35 H new ATOM 0 HD3 LYS A 69 4.351 -10.787 0.395 1.00 54.35 H new ATOM 0 HE2 LYS A 69 4.755 -12.794 -1.135 1.00 45.11 H new ATOM 0 HE3 LYS A 69 3.182 -12.041 -1.301 1.00 45.11 H new ATOM 0 HZ1 LYS A 69 4.394 -12.604 -3.418 1.00 0.43 H new ATOM 0 HZ2 LYS A 69 3.806 -11.015 -3.305 1.00 0.43 H new ATOM 0 HZ3 LYS A 69 5.458 -11.327 -3.067 1.00 0.43 H new ATOM 1132 N GLN A 70 1.652 -6.989 -0.885 1.00 51.33 N ATOM 1133 CA GLN A 70 0.307 -7.203 -1.421 1.00 72.55 C ATOM 1134 C GLN A 70 -0.070 -6.073 -2.386 1.00 55.22 C ATOM 1135 O GLN A 70 -0.511 -6.336 -3.506 1.00 24.21 O ATOM 1136 CB GLN A 70 -0.732 -7.316 -0.275 1.00 64.40 C ATOM 1137 CG GLN A 70 -2.142 -7.744 -0.741 1.00 22.45 C ATOM 1138 CD GLN A 70 -3.129 -7.964 0.404 1.00 52.24 C ATOM 1139 OE1 GLN A 70 -3.072 -7.296 1.433 1.00 72.43 O ATOM 1140 NE2 GLN A 70 -4.021 -8.925 0.248 1.00 45.40 N ATOM 0 H GLN A 70 1.680 -6.908 0.131 1.00 51.33 H new ATOM 0 HA GLN A 70 0.303 -8.143 -1.973 1.00 72.55 H new ATOM 0 HB2 GLN A 70 -0.370 -8.035 0.459 1.00 64.40 H new ATOM 0 HB3 GLN A 70 -0.805 -6.353 0.231 1.00 64.40 H new ATOM 0 HG2 GLN A 70 -2.540 -6.981 -1.410 1.00 22.45 H new ATOM 0 HG3 GLN A 70 -2.060 -8.664 -1.319 1.00 22.45 H new ATOM 0 HE21 GLN A 70 -4.044 -9.463 -0.618 1.00 45.40 H new ATOM 0 HE22 GLN A 70 -4.687 -9.129 0.994 1.00 45.40 H new ATOM 1149 N THR A 71 0.189 -4.818 -1.960 1.00 1.10 N ATOM 1150 CA THR A 71 -0.153 -3.633 -2.745 1.00 15.32 C ATOM 1151 C THR A 71 0.877 -3.400 -3.865 1.00 31.24 C ATOM 1152 O THR A 71 0.573 -2.675 -4.791 1.00 2.12 O ATOM 1153 CB THR A 71 -0.389 -2.345 -1.865 1.00 30.05 C ATOM 1154 OG1 THR A 71 -0.844 -1.251 -2.677 1.00 3.13 O ATOM 1155 CG2 THR A 71 0.831 -1.883 -1.067 1.00 74.34 C ATOM 0 H THR A 71 0.638 -4.608 -1.068 1.00 1.10 H new ATOM 0 HA THR A 71 -1.116 -3.834 -3.214 1.00 15.32 H new ATOM 0 HB THR A 71 -1.148 -2.643 -1.141 1.00 30.05 H new ATOM 0 HG1 THR A 71 -1.788 -1.382 -2.903 1.00 3.13 H new ATOM 0 HG21 THR A 71 0.574 -0.993 -0.493 1.00 74.34 H new ATOM 0 HG22 THR A 71 1.142 -2.676 -0.387 1.00 74.34 H new ATOM 0 HG23 THR A 71 1.647 -1.651 -1.751 1.00 74.34 H new ATOM 1163 N LEU A 72 2.100 -4.005 -3.762 1.00 42.22 N ATOM 1164 CA LEU A 72 3.120 -3.963 -4.849 1.00 21.01 C ATOM 1165 C LEU A 72 2.752 -4.941 -5.983 1.00 12.24 C ATOM 1166 O LEU A 72 3.069 -4.687 -7.154 1.00 64.44 O ATOM 1167 CB LEU A 72 4.566 -4.291 -4.351 1.00 32.12 C ATOM 1168 CG LEU A 72 5.214 -3.297 -3.336 1.00 54.34 C ATOM 1169 CD1 LEU A 72 6.704 -3.609 -3.094 1.00 5.32 C ATOM 1170 CD2 LEU A 72 4.987 -1.832 -3.752 1.00 14.01 C ATOM 0 H LEU A 72 2.399 -4.525 -2.937 1.00 42.22 H new ATOM 0 HA LEU A 72 3.118 -2.937 -5.216 1.00 21.01 H new ATOM 0 HB2 LEU A 72 4.549 -5.279 -3.892 1.00 32.12 H new ATOM 0 HB3 LEU A 72 5.217 -4.356 -5.223 1.00 32.12 H new ATOM 0 HG LEU A 72 4.708 -3.438 -2.381 1.00 54.34 H new ATOM 0 HD11 LEU A 72 7.115 -2.893 -2.382 1.00 5.32 H new ATOM 0 HD12 LEU A 72 6.804 -4.618 -2.693 1.00 5.32 H new ATOM 0 HD13 LEU A 72 7.248 -3.537 -4.036 1.00 5.32 H new ATOM 0 HD21 LEU A 72 5.452 -1.170 -3.022 1.00 14.01 H new ATOM 0 HD22 LEU A 72 5.431 -1.659 -4.733 1.00 14.01 H new ATOM 0 HD23 LEU A 72 3.917 -1.628 -3.797 1.00 14.01 H new ATOM 1182 N ASP A 73 2.124 -6.077 -5.621 1.00 32.14 N ATOM 1183 CA ASP A 73 1.616 -7.055 -6.603 1.00 31.50 C ATOM 1184 C ASP A 73 0.419 -6.449 -7.341 1.00 35.12 C ATOM 1185 O ASP A 73 0.384 -6.440 -8.578 1.00 40.01 O ATOM 1186 CB ASP A 73 1.229 -8.405 -5.925 1.00 43.51 C ATOM 1187 CG ASP A 73 2.441 -9.211 -5.413 1.00 64.12 C ATOM 1188 OD1 ASP A 73 3.321 -9.536 -6.233 1.00 11.15 O ATOM 1189 OD2 ASP A 73 2.517 -9.541 -4.202 1.00 61.41 O ATOM 0 H ASP A 73 1.956 -6.341 -4.650 1.00 32.14 H new ATOM 0 HA ASP A 73 2.409 -7.278 -7.317 1.00 31.50 H new ATOM 0 HB2 ASP A 73 0.559 -8.203 -5.089 1.00 43.51 H new ATOM 0 HB3 ASP A 73 0.674 -9.014 -6.639 1.00 43.51 H new ATOM 1194 N ASN A 74 -0.527 -5.894 -6.552 1.00 70.33 N ATOM 1195 CA ASN A 74 -1.712 -5.173 -7.067 1.00 73.13 C ATOM 1196 C ASN A 74 -1.285 -3.988 -7.959 1.00 11.43 C ATOM 1197 O ASN A 74 -1.866 -3.765 -9.018 1.00 72.50 O ATOM 1198 CB ASN A 74 -2.591 -4.654 -5.895 1.00 33.35 C ATOM 1199 CG ASN A 74 -3.131 -5.749 -4.961 1.00 62.13 C ATOM 1200 OD1 ASN A 74 -3.379 -6.878 -5.368 1.00 63.32 O ATOM 1201 ND2 ASN A 74 -3.326 -5.414 -3.691 1.00 2.14 N ATOM 0 H ASN A 74 -0.490 -5.934 -5.533 1.00 70.33 H new ATOM 0 HA ASN A 74 -2.296 -5.873 -7.665 1.00 73.13 H new ATOM 0 HB2 ASN A 74 -2.006 -3.949 -5.305 1.00 33.35 H new ATOM 0 HB3 ASN A 74 -3.434 -4.101 -6.309 1.00 33.35 H new ATOM 0 HD21 ASN A 74 -3.689 -6.103 -3.032 1.00 2.14 H new ATOM 0 HD22 ASN A 74 -3.112 -4.468 -3.374 1.00 2.14 H new ATOM 1208 N GLU A 75 -0.235 -3.270 -7.498 1.00 2.52 N ATOM 1209 CA GLU A 75 0.411 -2.138 -8.209 1.00 2.20 C ATOM 1210 C GLU A 75 0.835 -2.557 -9.624 1.00 33.14 C ATOM 1211 O GLU A 75 0.288 -2.055 -10.614 1.00 25.22 O ATOM 1212 CB GLU A 75 1.642 -1.675 -7.349 1.00 23.03 C ATOM 1213 CG GLU A 75 2.746 -0.838 -8.021 1.00 54.42 C ATOM 1214 CD GLU A 75 2.267 0.498 -8.568 1.00 23.44 C ATOM 1215 OE1 GLU A 75 1.604 1.265 -7.830 1.00 0.34 O ATOM 1216 OE2 GLU A 75 2.564 0.804 -9.740 1.00 41.03 O ATOM 0 H GLU A 75 0.200 -3.466 -6.596 1.00 2.52 H new ATOM 0 HA GLU A 75 -0.287 -1.309 -8.326 1.00 2.20 H new ATOM 0 HB2 GLU A 75 1.258 -1.099 -6.507 1.00 23.03 H new ATOM 0 HB3 GLU A 75 2.111 -2.568 -6.937 1.00 23.03 H new ATOM 0 HG2 GLU A 75 3.541 -0.658 -7.298 1.00 54.42 H new ATOM 0 HG3 GLU A 75 3.181 -1.417 -8.836 1.00 54.42 H new ATOM 1223 N GLN A 76 1.739 -3.552 -9.686 1.00 44.34 N ATOM 1224 CA GLN A 76 2.363 -4.010 -10.935 1.00 11.44 C ATOM 1225 C GLN A 76 1.298 -4.476 -11.950 1.00 73.23 C ATOM 1226 O GLN A 76 1.321 -4.071 -13.122 1.00 21.02 O ATOM 1227 CB GLN A 76 3.355 -5.159 -10.622 1.00 22.54 C ATOM 1228 CG GLN A 76 4.098 -5.717 -11.854 1.00 55.23 C ATOM 1229 CD GLN A 76 5.037 -6.888 -11.555 1.00 23.40 C ATOM 1230 OE1 GLN A 76 4.689 -7.732 -10.590 1.00 41.45 O flip ATOM 1231 NE2 GLN A 76 6.064 -7.052 -12.217 1.00 4.24 N flip ATOM 0 H GLN A 76 2.057 -4.063 -8.863 1.00 44.34 H new ATOM 0 HA GLN A 76 2.904 -3.177 -11.384 1.00 11.44 H new ATOM 0 HB2 GLN A 76 4.090 -4.801 -9.902 1.00 22.54 H new ATOM 0 HB3 GLN A 76 2.810 -5.972 -10.143 1.00 22.54 H new ATOM 0 HG2 GLN A 76 3.362 -6.038 -12.591 1.00 55.23 H new ATOM 0 HG3 GLN A 76 4.675 -4.912 -12.309 1.00 55.23 H new ATOM 0 HE21 GLN A 76 6.308 -6.389 -12.953 1.00 4.24 H new ATOM 0 HE22 GLN A 76 6.670 -7.851 -12.029 1.00 4.24 H new ATOM 1240 N LEU A 77 0.346 -5.292 -11.459 1.00 31.53 N ATOM 1241 CA LEU A 77 -0.710 -5.898 -12.289 1.00 60.03 C ATOM 1242 C LEU A 77 -1.688 -4.833 -12.832 1.00 34.53 C ATOM 1243 O LEU A 77 -2.084 -4.896 -14.008 1.00 53.24 O ATOM 1244 CB LEU A 77 -1.458 -6.986 -11.473 1.00 44.40 C ATOM 1245 CG LEU A 77 -0.591 -8.206 -11.021 1.00 32.32 C ATOM 1246 CD1 LEU A 77 -1.382 -9.147 -10.091 1.00 41.43 C ATOM 1247 CD2 LEU A 77 -0.012 -8.965 -12.235 1.00 41.31 C ATOM 0 H LEU A 77 0.288 -5.549 -10.474 1.00 31.53 H new ATOM 0 HA LEU A 77 -0.242 -6.367 -13.155 1.00 60.03 H new ATOM 0 HB2 LEU A 77 -1.887 -6.519 -10.586 1.00 44.40 H new ATOM 0 HB3 LEU A 77 -2.290 -7.356 -12.072 1.00 44.40 H new ATOM 0 HG LEU A 77 0.250 -7.816 -10.448 1.00 32.32 H new ATOM 0 HD11 LEU A 77 -0.749 -9.984 -9.796 1.00 41.43 H new ATOM 0 HD12 LEU A 77 -1.697 -8.600 -9.203 1.00 41.43 H new ATOM 0 HD13 LEU A 77 -2.260 -9.524 -10.616 1.00 41.43 H new ATOM 0 HD21 LEU A 77 0.586 -9.807 -11.886 1.00 41.31 H new ATOM 0 HD22 LEU A 77 -0.828 -9.332 -12.858 1.00 41.31 H new ATOM 0 HD23 LEU A 77 0.616 -8.292 -12.819 1.00 41.31 H new ATOM 1259 N LEU A 78 -2.039 -3.843 -11.979 1.00 44.31 N ATOM 1260 CA LEU A 78 -2.981 -2.765 -12.346 1.00 1.31 C ATOM 1261 C LEU A 78 -2.418 -1.871 -13.437 1.00 21.21 C ATOM 1262 O LEU A 78 -3.124 -1.568 -14.391 1.00 52.13 O ATOM 1263 CB LEU A 78 -3.411 -1.904 -11.116 1.00 34.52 C ATOM 1264 CG LEU A 78 -4.575 -2.498 -10.276 1.00 44.34 C ATOM 1265 CD1 LEU A 78 -4.956 -1.588 -9.099 1.00 11.13 C ATOM 1266 CD2 LEU A 78 -5.786 -2.769 -11.181 1.00 75.21 C ATOM 0 H LEU A 78 -1.680 -3.770 -11.027 1.00 44.31 H new ATOM 0 HA LEU A 78 -3.870 -3.263 -12.731 1.00 1.31 H new ATOM 0 HB2 LEU A 78 -2.546 -1.768 -10.466 1.00 34.52 H new ATOM 0 HB3 LEU A 78 -3.704 -0.915 -11.468 1.00 34.52 H new ATOM 0 HG LEU A 78 -4.236 -3.441 -9.847 1.00 44.34 H new ATOM 0 HD11 LEU A 78 -5.774 -2.041 -8.538 1.00 11.13 H new ATOM 0 HD12 LEU A 78 -4.094 -1.460 -8.444 1.00 11.13 H new ATOM 0 HD13 LEU A 78 -5.271 -0.616 -9.478 1.00 11.13 H new ATOM 0 HD21 LEU A 78 -6.599 -3.185 -10.586 1.00 75.21 H new ATOM 0 HD22 LEU A 78 -6.113 -1.836 -11.640 1.00 75.21 H new ATOM 0 HD23 LEU A 78 -5.506 -3.478 -11.960 1.00 75.21 H new ATOM 1278 N LYS A 79 -1.152 -1.454 -13.295 1.00 63.25 N ATOM 1279 CA LYS A 79 -0.509 -0.552 -14.278 1.00 53.53 C ATOM 1280 C LYS A 79 -0.252 -1.304 -15.587 1.00 32.25 C ATOM 1281 O LYS A 79 -0.332 -0.727 -16.681 1.00 75.40 O ATOM 1282 CB LYS A 79 0.801 0.057 -13.719 1.00 23.00 C ATOM 1283 CG LYS A 79 0.715 0.584 -12.276 1.00 12.02 C ATOM 1284 CD LYS A 79 -0.551 1.415 -11.966 1.00 62.12 C ATOM 1285 CE LYS A 79 -0.685 1.736 -10.464 1.00 23.42 C ATOM 1286 NZ LYS A 79 0.391 2.659 -9.993 1.00 73.33 N ATOM 0 H LYS A 79 -0.551 -1.722 -12.516 1.00 63.25 H new ATOM 0 HA LYS A 79 -1.188 0.277 -14.477 1.00 53.53 H new ATOM 0 HB2 LYS A 79 1.584 -0.700 -13.766 1.00 23.00 H new ATOM 0 HB3 LYS A 79 1.109 0.875 -14.370 1.00 23.00 H new ATOM 0 HG2 LYS A 79 0.753 -0.263 -11.591 1.00 12.02 H new ATOM 0 HG3 LYS A 79 1.594 1.197 -12.075 1.00 12.02 H new ATOM 0 HD2 LYS A 79 -0.520 2.345 -12.533 1.00 62.12 H new ATOM 0 HD3 LYS A 79 -1.433 0.868 -12.299 1.00 62.12 H new ATOM 0 HE2 LYS A 79 -1.659 2.187 -10.275 1.00 23.42 H new ATOM 0 HE3 LYS A 79 -0.646 0.810 -9.890 1.00 23.42 H new ATOM 0 HZ1 LYS A 79 0.172 2.984 -9.030 1.00 73.33 H new ATOM 0 HZ2 LYS A 79 1.302 2.158 -9.991 1.00 73.33 H new ATOM 0 HZ3 LYS A 79 0.449 3.479 -10.630 1.00 73.33 H new ATOM 1300 N GLY A 80 0.029 -2.611 -15.436 1.00 75.11 N ATOM 1301 CA GLY A 80 0.145 -3.535 -16.553 1.00 70.22 C ATOM 1302 C GLY A 80 -1.169 -3.723 -17.311 1.00 32.10 C ATOM 1303 O GLY A 80 -1.166 -4.029 -18.509 1.00 60.22 O ATOM 0 H GLY A 80 0.181 -3.047 -14.527 1.00 75.11 H new ATOM 0 HA2 GLY A 80 0.907 -3.170 -17.242 1.00 70.22 H new ATOM 0 HA3 GLY A 80 0.487 -4.502 -16.184 1.00 70.22 H new ATOM 1307 N LEU A 81 -2.296 -3.563 -16.593 1.00 24.13 N ATOM 1308 CA LEU A 81 -3.653 -3.640 -17.177 1.00 25.24 C ATOM 1309 C LEU A 81 -4.058 -2.271 -17.800 1.00 21.30 C ATOM 1310 O LEU A 81 -4.673 -2.225 -18.876 1.00 21.03 O ATOM 1311 CB LEU A 81 -4.680 -4.084 -16.070 1.00 61.31 C ATOM 1312 CG LEU A 81 -5.825 -5.068 -16.504 1.00 72.21 C ATOM 1313 CD1 LEU A 81 -6.786 -5.368 -15.329 1.00 12.20 C ATOM 1314 CD2 LEU A 81 -6.601 -4.563 -17.744 1.00 64.41 C ATOM 0 H LEU A 81 -2.294 -3.376 -15.590 1.00 24.13 H new ATOM 0 HA LEU A 81 -3.658 -4.382 -17.975 1.00 25.24 H new ATOM 0 HB2 LEU A 81 -4.121 -4.553 -15.260 1.00 61.31 H new ATOM 0 HB3 LEU A 81 -5.143 -3.187 -15.660 1.00 61.31 H new ATOM 0 HG LEU A 81 -5.341 -6.001 -16.792 1.00 72.21 H new ATOM 0 HD11 LEU A 81 -7.567 -6.052 -15.663 1.00 12.20 H new ATOM 0 HD12 LEU A 81 -6.229 -5.825 -14.511 1.00 12.20 H new ATOM 0 HD13 LEU A 81 -7.240 -4.439 -14.984 1.00 12.20 H new ATOM 0 HD21 LEU A 81 -7.381 -5.280 -18.002 1.00 64.41 H new ATOM 0 HD22 LEU A 81 -7.055 -3.598 -17.521 1.00 64.41 H new ATOM 0 HD23 LEU A 81 -5.915 -4.456 -18.584 1.00 64.41 H new ATOM 1326 N LEU A 82 -3.684 -1.164 -17.119 1.00 41.35 N ATOM 1327 CA LEU A 82 -4.119 0.207 -17.481 1.00 71.31 C ATOM 1328 C LEU A 82 -3.428 0.701 -18.761 1.00 21.31 C ATOM 1329 O LEU A 82 -4.081 0.908 -19.792 1.00 24.24 O ATOM 1330 CB LEU A 82 -3.851 1.191 -16.298 1.00 0.00 C ATOM 1331 CG LEU A 82 -4.784 1.033 -15.056 1.00 64.23 C ATOM 1332 CD1 LEU A 82 -4.339 1.943 -13.891 1.00 52.30 C ATOM 1333 CD2 LEU A 82 -6.252 1.290 -15.448 1.00 44.42 C ATOM 0 H LEU A 82 -3.072 -1.195 -16.303 1.00 41.35 H new ATOM 0 HA LEU A 82 -5.191 0.175 -17.678 1.00 71.31 H new ATOM 0 HB2 LEU A 82 -2.819 1.064 -15.972 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.944 2.211 -16.671 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.704 0.005 -14.702 1.00 64.23 H new ATOM 0 HD11 LEU A 82 -5.012 1.806 -13.045 1.00 52.30 H new ATOM 0 HD12 LEU A 82 -3.323 1.682 -13.593 1.00 52.30 H new ATOM 0 HD13 LEU A 82 -4.367 2.984 -14.212 1.00 52.30 H new ATOM 0 HD21 LEU A 82 -6.888 1.176 -14.570 1.00 44.42 H new ATOM 0 HD22 LEU A 82 -6.352 2.302 -15.839 1.00 44.42 H new ATOM 0 HD23 LEU A 82 -6.555 0.574 -16.212 1.00 44.42 H new ATOM 1345 N GLN A 83 -2.102 0.842 -18.694 1.00 33.10 N ATOM 1346 CA GLN A 83 -1.303 1.428 -19.779 1.00 15.01 C ATOM 1347 C GLN A 83 -0.039 0.569 -20.020 1.00 32.40 C ATOM 1348 O GLN A 83 0.954 1.048 -20.575 1.00 41.41 O ATOM 1349 CB GLN A 83 -0.980 2.919 -19.417 1.00 55.13 C ATOM 1350 CG GLN A 83 -0.324 3.765 -20.537 1.00 44.05 C ATOM 1351 CD GLN A 83 -1.101 3.753 -21.859 1.00 60.31 C ATOM 1352 OE1 GLN A 83 -1.972 4.586 -22.095 1.00 42.02 O ATOM 1353 NE2 GLN A 83 -0.790 2.807 -22.735 1.00 42.34 N ATOM 0 H GLN A 83 -1.549 0.554 -17.887 1.00 33.10 H new ATOM 0 HA GLN A 83 -1.856 1.432 -20.718 1.00 15.01 H new ATOM 0 HB2 GLN A 83 -1.907 3.408 -19.116 1.00 55.13 H new ATOM 0 HB3 GLN A 83 -0.320 2.926 -18.550 1.00 55.13 H new ATOM 0 HG2 GLN A 83 -0.228 4.795 -20.192 1.00 44.05 H new ATOM 0 HG3 GLN A 83 0.685 3.393 -20.716 1.00 44.05 H new ATOM 0 HE21 GLN A 83 -0.062 2.127 -22.514 1.00 42.34 H new ATOM 0 HE22 GLN A 83 -1.278 2.760 -23.629 1.00 42.34 H new ATOM 1362 N GLN A 84 -0.109 -0.720 -19.587 1.00 54.30 N ATOM 1363 CA GLN A 84 0.941 -1.757 -19.796 1.00 1.42 C ATOM 1364 C GLN A 84 2.188 -1.535 -18.898 1.00 72.34 C ATOM 1365 O GLN A 84 2.970 -2.472 -18.663 1.00 2.03 O ATOM 1366 CB GLN A 84 1.325 -1.886 -21.301 1.00 34.11 C ATOM 1367 CG GLN A 84 2.260 -3.069 -21.651 1.00 74.41 C ATOM 1368 CD GLN A 84 2.506 -3.250 -23.150 1.00 11.00 C ATOM 1369 OE1 GLN A 84 1.510 -2.961 -23.976 1.00 11.52 O flip ATOM 1370 NE2 GLN A 84 3.578 -3.684 -23.569 1.00 64.53 N flip ATOM 0 H GLN A 84 -0.915 -1.075 -19.072 1.00 54.30 H new ATOM 0 HA GLN A 84 0.507 -2.707 -19.485 1.00 1.42 H new ATOM 0 HB2 GLN A 84 0.410 -1.984 -21.884 1.00 34.11 H new ATOM 0 HB3 GLN A 84 1.806 -0.960 -21.616 1.00 34.11 H new ATOM 0 HG2 GLN A 84 3.218 -2.921 -21.152 1.00 74.41 H new ATOM 0 HG3 GLN A 84 1.831 -3.988 -21.251 1.00 74.41 H new ATOM 0 HE21 GLN A 84 4.331 -3.900 -22.916 1.00 64.53 H new ATOM 0 HE22 GLN A 84 3.714 -3.828 -24.570 1.00 64.53 H new ATOM 1379 N ARG A 85 2.325 -0.318 -18.350 1.00 60.03 N ATOM 1380 CA ARG A 85 3.498 0.132 -17.588 1.00 44.40 C ATOM 1381 C ARG A 85 3.040 1.069 -16.463 1.00 71.52 C ATOM 1382 O ARG A 85 1.864 1.452 -16.423 1.00 43.32 O ATOM 1383 CB ARG A 85 4.511 0.851 -18.533 1.00 0.23 C ATOM 1384 CG ARG A 85 5.290 -0.098 -19.471 1.00 13.21 C ATOM 1385 CD ARG A 85 6.224 0.644 -20.443 1.00 24.33 C ATOM 1386 NE ARG A 85 6.989 -0.289 -21.295 1.00 12.45 N ATOM 1387 CZ ARG A 85 6.516 -0.936 -22.380 1.00 33.15 C ATOM 1388 NH1 ARG A 85 5.259 -0.782 -22.783 1.00 11.13 N ATOM 1389 NH2 ARG A 85 7.323 -1.729 -23.062 1.00 51.23 N ATOM 0 H ARG A 85 1.603 0.399 -18.427 1.00 60.03 H new ATOM 0 HA ARG A 85 4.002 -0.729 -17.148 1.00 44.40 H new ATOM 0 HB2 ARG A 85 3.971 1.579 -19.139 1.00 0.23 H new ATOM 0 HB3 ARG A 85 5.224 1.408 -17.925 1.00 0.23 H new ATOM 0 HG2 ARG A 85 5.878 -0.791 -18.869 1.00 13.21 H new ATOM 0 HG3 ARG A 85 4.581 -0.696 -20.044 1.00 13.21 H new ATOM 0 HD2 ARG A 85 5.636 1.311 -21.073 1.00 24.33 H new ATOM 0 HD3 ARG A 85 6.915 1.268 -19.877 1.00 24.33 H new ATOM 0 HE ARG A 85 7.962 -0.459 -21.040 1.00 12.45 H new ATOM 0 HH11 ARG A 85 4.631 -0.165 -22.269 1.00 11.13 H new ATOM 0 HH12 ARG A 85 4.923 -1.281 -23.606 1.00 11.13 H new ATOM 0 HH21 ARG A 85 8.292 -1.847 -22.766 1.00 51.23 H new ATOM 0 HH22 ARG A 85 6.977 -2.224 -23.884 1.00 51.23 H new ATOM 1403 N LEU A 86 3.990 1.433 -15.570 1.00 71.32 N ATOM 1404 CA LEU A 86 3.728 2.255 -14.366 1.00 62.23 C ATOM 1405 C LEU A 86 3.013 3.582 -14.722 1.00 3.32 C ATOM 1406 O LEU A 86 3.651 4.555 -15.148 1.00 74.40 O ATOM 1407 CB LEU A 86 5.057 2.540 -13.621 1.00 60.15 C ATOM 1408 CG LEU A 86 5.845 1.299 -13.098 1.00 61.55 C ATOM 1409 CD1 LEU A 86 7.234 1.706 -12.557 1.00 31.33 C ATOM 1410 CD2 LEU A 86 5.033 0.526 -12.034 1.00 21.01 C ATOM 0 H LEU A 86 4.969 1.162 -15.666 1.00 71.32 H new ATOM 0 HA LEU A 86 3.062 1.691 -13.713 1.00 62.23 H new ATOM 0 HB2 LEU A 86 5.709 3.100 -14.291 1.00 60.15 H new ATOM 0 HB3 LEU A 86 4.839 3.188 -12.772 1.00 60.15 H new ATOM 0 HG LEU A 86 6.003 0.628 -13.943 1.00 61.55 H new ATOM 0 HD11 LEU A 86 7.759 0.820 -12.200 1.00 31.33 H new ATOM 0 HD12 LEU A 86 7.812 2.174 -13.354 1.00 31.33 H new ATOM 0 HD13 LEU A 86 7.112 2.411 -11.735 1.00 31.33 H new ATOM 0 HD21 LEU A 86 5.609 -0.333 -11.690 1.00 21.01 H new ATOM 0 HD22 LEU A 86 4.821 1.183 -11.190 1.00 21.01 H new ATOM 0 HD23 LEU A 86 4.095 0.182 -12.471 1.00 21.01 H new ATOM 1422 N ASP A 87 1.677 3.563 -14.577 1.00 63.23 N ATOM 1423 CA ASP A 87 0.790 4.692 -14.867 1.00 2.15 C ATOM 1424 C ASP A 87 -0.584 4.371 -14.261 1.00 4.45 C ATOM 1425 O ASP A 87 -1.250 3.429 -14.697 1.00 54.22 O ATOM 1426 CB ASP A 87 0.675 4.924 -16.400 1.00 71.21 C ATOM 1427 CG ASP A 87 -0.147 6.172 -16.769 1.00 12.23 C ATOM 1428 OD1 ASP A 87 0.399 7.297 -16.690 1.00 43.33 O ATOM 1429 OD2 ASP A 87 -1.333 6.043 -17.143 1.00 44.51 O ATOM 0 H ASP A 87 1.176 2.739 -14.246 1.00 63.23 H new ATOM 0 HA ASP A 87 1.191 5.608 -14.433 1.00 2.15 H new ATOM 0 HB2 ASP A 87 1.676 5.019 -16.822 1.00 71.21 H new ATOM 0 HB3 ASP A 87 0.218 4.048 -16.859 1.00 71.21 H new ATOM 1434 N GLU A 88 -0.973 5.126 -13.226 1.00 44.22 N ATOM 1435 CA GLU A 88 -2.221 4.885 -12.465 1.00 61.32 C ATOM 1436 C GLU A 88 -3.327 5.843 -12.902 1.00 4.31 C ATOM 1437 O GLU A 88 -3.171 6.601 -13.868 1.00 53.52 O ATOM 1438 CB GLU A 88 -1.993 4.958 -10.915 1.00 20.40 C ATOM 1439 CG GLU A 88 -1.381 6.254 -10.346 1.00 32.24 C ATOM 1440 CD GLU A 88 0.116 6.407 -10.652 1.00 71.43 C ATOM 1441 OE1 GLU A 88 0.927 5.662 -10.052 1.00 31.33 O ATOM 1442 OE2 GLU A 88 0.486 7.229 -11.520 1.00 45.32 O ATOM 0 H GLU A 88 -0.436 5.924 -12.887 1.00 44.22 H new ATOM 0 HA GLU A 88 -2.541 3.869 -12.694 1.00 61.32 H new ATOM 0 HB2 GLU A 88 -2.954 4.796 -10.426 1.00 20.40 H new ATOM 0 HB3 GLU A 88 -1.347 4.128 -10.631 1.00 20.40 H new ATOM 0 HG2 GLU A 88 -1.917 7.110 -10.755 1.00 32.24 H new ATOM 0 HG3 GLU A 88 -1.527 6.272 -9.266 1.00 32.24 H new ATOM 1449 N LEU A 89 -4.454 5.753 -12.177 1.00 2.11 N ATOM 1450 CA LEU A 89 -5.659 6.566 -12.392 1.00 1.15 C ATOM 1451 C LEU A 89 -5.341 8.081 -12.379 1.00 54.22 C ATOM 1452 O LEU A 89 -5.864 8.838 -13.204 1.00 5.12 O ATOM 1453 CB LEU A 89 -6.688 6.206 -11.289 1.00 61.24 C ATOM 1454 CG LEU A 89 -7.036 4.686 -11.147 1.00 32.14 C ATOM 1455 CD1 LEU A 89 -7.867 4.418 -9.879 1.00 60.21 C ATOM 1456 CD2 LEU A 89 -7.743 4.149 -12.416 1.00 2.41 C ATOM 0 H LEU A 89 -4.553 5.094 -11.405 1.00 2.11 H new ATOM 0 HA LEU A 89 -6.071 6.346 -13.377 1.00 1.15 H new ATOM 0 HB2 LEU A 89 -6.305 6.562 -10.332 1.00 61.24 H new ATOM 0 HB3 LEU A 89 -7.610 6.753 -11.487 1.00 61.24 H new ATOM 0 HG LEU A 89 -6.098 4.141 -11.042 1.00 32.14 H new ATOM 0 HD11 LEU A 89 -8.092 3.354 -9.810 1.00 60.21 H new ATOM 0 HD12 LEU A 89 -7.300 4.727 -9.001 1.00 60.21 H new ATOM 0 HD13 LEU A 89 -8.798 4.983 -9.928 1.00 60.21 H new ATOM 0 HD21 LEU A 89 -7.971 3.091 -12.285 1.00 2.41 H new ATOM 0 HD22 LEU A 89 -8.668 4.702 -12.579 1.00 2.41 H new ATOM 0 HD23 LEU A 89 -7.088 4.275 -13.278 1.00 2.41 H new ATOM 1468 N SER A 90 -4.457 8.495 -11.448 1.00 51.43 N ATOM 1469 CA SER A 90 -4.036 9.895 -11.290 1.00 1.31 C ATOM 1470 C SER A 90 -2.623 9.951 -10.685 1.00 75.40 C ATOM 1471 O SER A 90 -2.293 9.144 -9.812 1.00 51.13 O ATOM 1472 CB SER A 90 -5.023 10.653 -10.386 1.00 22.21 C ATOM 1473 OG SER A 90 -4.626 12.002 -10.203 1.00 54.24 O ATOM 0 H SER A 90 -4.015 7.861 -10.783 1.00 51.43 H new ATOM 0 HA SER A 90 -4.026 10.370 -12.271 1.00 1.31 H new ATOM 0 HB2 SER A 90 -6.020 10.622 -10.827 1.00 22.21 H new ATOM 0 HB3 SER A 90 -5.087 10.156 -9.418 1.00 22.21 H new ATOM 0 HG SER A 90 -5.273 12.458 -9.626 1.00 54.24 H new ATOM 1479 N SER A 91 -1.825 10.939 -11.133 1.00 73.33 N ATOM 1480 CA SER A 91 -0.424 11.120 -10.708 1.00 61.10 C ATOM 1481 C SER A 91 -0.322 11.457 -9.199 1.00 54.05 C ATOM 1482 O SER A 91 -1.176 12.175 -8.661 1.00 15.42 O ATOM 1483 CB SER A 91 0.244 12.223 -11.572 1.00 44.21 C ATOM 1484 OG SER A 91 -0.483 13.447 -11.527 1.00 4.24 O ATOM 0 H SER A 91 -2.137 11.640 -11.805 1.00 73.33 H new ATOM 0 HA SER A 91 0.106 10.179 -10.859 1.00 61.10 H new ATOM 0 HB2 SER A 91 1.262 12.392 -11.221 1.00 44.21 H new ATOM 0 HB3 SER A 91 0.316 11.881 -12.605 1.00 44.21 H new ATOM 0 HG SER A 91 -0.031 14.117 -12.081 1.00 4.24 H new ATOM 1490 N LEU A 92 0.729 10.923 -8.539 1.00 3.24 N ATOM 1491 CA LEU A 92 0.933 11.051 -7.083 1.00 5.24 C ATOM 1492 C LEU A 92 1.537 12.430 -6.720 1.00 41.42 C ATOM 1493 O LEU A 92 0.803 13.367 -6.401 1.00 5.55 O ATOM 1494 CB LEU A 92 1.831 9.887 -6.576 1.00 41.32 C ATOM 1495 CG LEU A 92 1.274 8.441 -6.772 1.00 55.03 C ATOM 1496 CD1 LEU A 92 2.269 7.390 -6.242 1.00 23.15 C ATOM 1497 CD2 LEU A 92 -0.114 8.278 -6.115 1.00 32.15 C ATOM 0 H LEU A 92 1.462 10.389 -9.006 1.00 3.24 H new ATOM 0 HA LEU A 92 -0.035 10.987 -6.586 1.00 5.24 H new ATOM 0 HB2 LEU A 92 2.794 9.953 -7.083 1.00 41.32 H new ATOM 0 HB3 LEU A 92 2.019 10.039 -5.513 1.00 41.32 H new ATOM 0 HG LEU A 92 1.150 8.276 -7.842 1.00 55.03 H new ATOM 0 HD11 LEU A 92 1.857 6.392 -6.390 1.00 23.15 H new ATOM 0 HD12 LEU A 92 3.212 7.477 -6.781 1.00 23.15 H new ATOM 0 HD13 LEU A 92 2.442 7.557 -5.179 1.00 23.15 H new ATOM 0 HD21 LEU A 92 -0.473 7.260 -6.270 1.00 32.15 H new ATOM 0 HD22 LEU A 92 -0.036 8.476 -5.046 1.00 32.15 H new ATOM 0 HD23 LEU A 92 -0.814 8.982 -6.565 1.00 32.15 H new ATOM 1509 N ILE A 93 2.881 12.559 -6.807 1.00 64.43 N ATOM 1510 CA ILE A 93 3.597 13.818 -6.484 1.00 53.41 C ATOM 1511 C ILE A 93 3.910 14.556 -7.812 1.00 3.54 C ATOM 1512 O ILE A 93 4.934 15.235 -7.949 1.00 5.41 O ATOM 1513 CB ILE A 93 4.940 13.525 -5.673 1.00 2.45 C ATOM 1514 CG1 ILE A 93 4.732 12.376 -4.632 1.00 34.12 C ATOM 1515 CG2 ILE A 93 5.466 14.806 -4.966 1.00 51.35 C ATOM 1516 CD1 ILE A 93 5.966 12.020 -3.814 1.00 23.10 C ATOM 0 H ILE A 93 3.497 11.801 -7.101 1.00 64.43 H new ATOM 0 HA ILE A 93 2.968 14.442 -5.849 1.00 53.41 H new ATOM 0 HB ILE A 93 5.690 13.203 -6.395 1.00 2.45 H new ATOM 0 HG12 ILE A 93 3.933 12.664 -3.950 1.00 34.12 H new ATOM 0 HG13 ILE A 93 4.394 11.484 -5.160 1.00 34.12 H new ATOM 0 HG21 ILE A 93 6.381 14.572 -4.423 1.00 51.35 H new ATOM 0 HG22 ILE A 93 5.673 15.574 -5.711 1.00 51.35 H new ATOM 0 HG23 ILE A 93 4.713 15.171 -4.268 1.00 51.35 H new ATOM 0 HD11 ILE A 93 5.723 11.214 -3.121 1.00 23.10 H new ATOM 0 HD12 ILE A 93 6.764 11.696 -4.482 1.00 23.10 H new ATOM 0 HD13 ILE A 93 6.295 12.894 -3.253 1.00 23.10 H new ATOM 1528 N GLY A 94 2.983 14.443 -8.786 1.00 4.02 N ATOM 1529 CA GLY A 94 3.278 14.778 -10.180 1.00 65.22 C ATOM 1530 C GLY A 94 4.145 13.683 -10.787 1.00 74.31 C ATOM 1531 O GLY A 94 3.681 12.892 -11.615 1.00 2.52 O ATOM 0 H GLY A 94 2.028 14.122 -8.625 1.00 4.02 H new ATOM 0 HA2 GLY A 94 2.352 14.880 -10.746 1.00 65.22 H new ATOM 0 HA3 GLY A 94 3.792 15.737 -10.235 1.00 65.22 H new ATOM 1535 N GLN A 95 5.414 13.639 -10.330 1.00 62.12 N ATOM 1536 CA GLN A 95 6.287 12.469 -10.473 1.00 14.12 C ATOM 1537 C GLN A 95 5.750 11.360 -9.556 1.00 72.34 C ATOM 1538 O GLN A 95 5.974 11.383 -8.338 1.00 25.22 O ATOM 1539 CB GLN A 95 7.742 12.839 -10.077 1.00 14.04 C ATOM 1540 CG GLN A 95 8.398 13.894 -10.983 1.00 35.33 C ATOM 1541 CD GLN A 95 9.755 14.357 -10.453 1.00 33.31 C ATOM 1542 OE1 GLN A 95 9.846 15.336 -9.717 1.00 74.12 O ATOM 1543 NE2 GLN A 95 10.806 13.631 -10.784 1.00 54.15 N ATOM 0 H GLN A 95 5.858 14.422 -9.850 1.00 62.12 H new ATOM 0 HA GLN A 95 6.295 12.127 -11.508 1.00 14.12 H new ATOM 0 HB2 GLN A 95 7.744 13.207 -9.051 1.00 14.04 H new ATOM 0 HB3 GLN A 95 8.351 11.935 -10.093 1.00 14.04 H new ATOM 0 HG2 GLN A 95 8.524 13.481 -11.984 1.00 35.33 H new ATOM 0 HG3 GLN A 95 7.734 14.754 -11.074 1.00 35.33 H new ATOM 0 HE21 GLN A 95 10.695 12.824 -11.398 1.00 54.15 H new ATOM 0 HE22 GLN A 95 11.729 13.877 -10.426 1.00 54.15 H new ATOM 1552 N SER A 96 4.970 10.445 -10.142 1.00 71.41 N ATOM 1553 CA SER A 96 4.398 9.308 -9.424 1.00 21.21 C ATOM 1554 C SER A 96 5.513 8.305 -9.098 1.00 75.23 C ATOM 1555 O SER A 96 5.841 7.434 -9.906 1.00 74.13 O ATOM 1556 CB SER A 96 3.298 8.654 -10.277 1.00 33.22 C ATOM 1557 OG SER A 96 2.339 9.592 -10.708 1.00 30.53 O ATOM 0 H SER A 96 4.719 10.475 -11.130 1.00 71.41 H new ATOM 0 HA SER A 96 3.947 9.645 -8.491 1.00 21.21 H new ATOM 0 HB2 SER A 96 3.750 8.172 -11.144 1.00 33.22 H new ATOM 0 HB3 SER A 96 2.806 7.872 -9.698 1.00 33.22 H new ATOM 0 HG SER A 96 1.968 9.309 -11.570 1.00 30.53 H new ATOM 1563 N THR A 97 6.131 8.483 -7.923 1.00 62.12 N ATOM 1564 CA THR A 97 7.233 7.638 -7.442 1.00 74.34 C ATOM 1565 C THR A 97 6.667 6.384 -6.712 1.00 72.45 C ATOM 1566 O THR A 97 7.178 5.957 -5.672 1.00 72.40 O ATOM 1567 CB THR A 97 8.195 8.486 -6.526 1.00 74.14 C ATOM 1568 OG1 THR A 97 9.330 7.703 -6.142 1.00 22.25 O ATOM 1569 CG2 THR A 97 7.493 9.030 -5.264 1.00 50.03 C ATOM 0 H THR A 97 5.877 9.226 -7.272 1.00 62.12 H new ATOM 0 HA THR A 97 7.821 7.278 -8.287 1.00 74.34 H new ATOM 0 HB THR A 97 8.514 9.344 -7.117 1.00 74.14 H new ATOM 0 HG1 THR A 97 9.921 8.240 -5.575 1.00 22.25 H new ATOM 0 HG21 THR A 97 8.204 9.606 -4.672 1.00 50.03 H new ATOM 0 HG22 THR A 97 6.662 9.671 -5.558 1.00 50.03 H new ATOM 0 HG23 THR A 97 7.116 8.197 -4.670 1.00 50.03 H new ATOM 1577 N ARG A 98 5.638 5.765 -7.330 1.00 74.12 N ATOM 1578 CA ARG A 98 4.884 4.642 -6.748 1.00 4.14 C ATOM 1579 C ARG A 98 5.822 3.450 -6.438 1.00 20.14 C ATOM 1580 O ARG A 98 5.939 3.027 -5.283 1.00 35.24 O ATOM 1581 CB ARG A 98 3.682 4.236 -7.682 1.00 70.01 C ATOM 1582 CG ARG A 98 4.038 3.489 -8.999 1.00 24.31 C ATOM 1583 CD ARG A 98 4.724 4.330 -10.081 1.00 31.03 C ATOM 1584 NE ARG A 98 3.772 5.115 -10.857 1.00 12.44 N ATOM 1585 CZ ARG A 98 4.049 5.728 -12.015 1.00 43.33 C ATOM 1586 NH1 ARG A 98 5.269 5.684 -12.543 1.00 4.51 N ATOM 1587 NH2 ARG A 98 3.100 6.373 -12.641 1.00 34.14 N ATOM 0 H ARG A 98 5.307 6.036 -8.256 1.00 74.12 H new ATOM 0 HA ARG A 98 4.456 4.962 -5.798 1.00 4.14 H new ATOM 0 HB2 ARG A 98 3.003 3.606 -7.107 1.00 70.01 H new ATOM 0 HB3 ARG A 98 3.134 5.141 -7.943 1.00 70.01 H new ATOM 0 HG2 ARG A 98 4.687 2.649 -8.753 1.00 24.31 H new ATOM 0 HG3 ARG A 98 3.122 3.072 -9.417 1.00 24.31 H new ATOM 0 HD2 ARG A 98 5.448 4.998 -9.614 1.00 31.03 H new ATOM 0 HD3 ARG A 98 5.281 3.674 -10.750 1.00 31.03 H new ATOM 0 HE ARG A 98 2.824 5.204 -10.491 1.00 12.44 H new ATOM 0 HH11 ARG A 98 6.014 5.177 -12.065 1.00 4.51 H new ATOM 0 HH12 ARG A 98 5.460 6.157 -13.426 1.00 4.51 H new ATOM 0 HH21 ARG A 98 2.160 6.406 -12.247 1.00 34.14 H new ATOM 0 HH22 ARG A 98 3.300 6.844 -13.524 1.00 34.14 H new ATOM 1601 N GLN A 99 6.585 3.017 -7.459 1.00 52.23 N ATOM 1602 CA GLN A 99 7.457 1.846 -7.384 1.00 41.44 C ATOM 1603 C GLN A 99 8.674 2.170 -6.515 1.00 54.50 C ATOM 1604 O GLN A 99 8.982 1.432 -5.583 1.00 51.51 O ATOM 1605 CB GLN A 99 7.920 1.426 -8.801 1.00 65.22 C ATOM 1606 CG GLN A 99 8.905 0.237 -8.828 1.00 22.35 C ATOM 1607 CD GLN A 99 9.480 -0.045 -10.212 1.00 55.22 C ATOM 1608 OE1 GLN A 99 8.808 -0.890 -10.981 1.00 13.42 O flip ATOM 1609 NE2 GLN A 99 10.518 0.505 -10.593 1.00 64.24 N flip ATOM 0 H GLN A 99 6.608 3.481 -8.367 1.00 52.23 H new ATOM 0 HA GLN A 99 6.902 1.019 -6.940 1.00 41.44 H new ATOM 0 HB2 GLN A 99 7.043 1.168 -9.394 1.00 65.22 H new ATOM 0 HB3 GLN A 99 8.391 2.282 -9.284 1.00 65.22 H new ATOM 0 HG2 GLN A 99 9.724 0.438 -8.137 1.00 22.35 H new ATOM 0 HG3 GLN A 99 8.395 -0.656 -8.466 1.00 22.35 H new ATOM 0 HE21 GLN A 99 11.010 1.150 -9.975 1.00 64.24 H new ATOM 0 HE22 GLN A 99 10.883 0.314 -11.526 1.00 64.24 H new ATOM 1618 N LYS A 100 9.329 3.310 -6.823 1.00 52.41 N ATOM 1619 CA LYS A 100 10.599 3.700 -6.188 1.00 50.15 C ATOM 1620 C LYS A 100 10.417 3.855 -4.676 1.00 44.41 C ATOM 1621 O LYS A 100 11.077 3.162 -3.915 1.00 55.05 O ATOM 1622 CB LYS A 100 11.149 5.015 -6.810 1.00 44.11 C ATOM 1623 CG LYS A 100 11.248 4.992 -8.349 1.00 54.32 C ATOM 1624 CD LYS A 100 12.177 3.874 -8.887 1.00 4.24 C ATOM 1625 CE LYS A 100 12.075 3.714 -10.412 1.00 14.52 C ATOM 1626 NZ LYS A 100 12.995 2.665 -10.916 1.00 71.14 N ATOM 0 H LYS A 100 8.992 3.980 -7.515 1.00 52.41 H new ATOM 0 HA LYS A 100 11.327 2.909 -6.370 1.00 50.15 H new ATOM 0 HB2 LYS A 100 10.506 5.842 -6.511 1.00 44.11 H new ATOM 0 HB3 LYS A 100 12.138 5.214 -6.396 1.00 44.11 H new ATOM 0 HG2 LYS A 100 10.251 4.859 -8.768 1.00 54.32 H new ATOM 0 HG3 LYS A 100 11.614 5.958 -8.697 1.00 54.32 H new ATOM 0 HD2 LYS A 100 13.208 4.100 -8.616 1.00 4.24 H new ATOM 0 HD3 LYS A 100 11.921 2.930 -8.407 1.00 4.24 H new ATOM 0 HE2 LYS A 100 11.050 3.461 -10.684 1.00 14.52 H new ATOM 0 HE3 LYS A 100 12.307 4.664 -10.894 1.00 14.52 H new ATOM 0 HZ1 LYS A 100 12.792 2.478 -11.919 1.00 71.14 H new ATOM 0 HZ2 LYS A 100 13.978 2.988 -10.816 1.00 71.14 H new ATOM 0 HZ3 LYS A 100 12.860 1.792 -10.367 1.00 71.14 H new ATOM 1640 N SER A 101 9.455 4.706 -4.277 1.00 53.03 N ATOM 1641 CA SER A 101 9.221 5.064 -2.869 1.00 2.10 C ATOM 1642 C SER A 101 8.584 3.906 -2.066 1.00 51.44 C ATOM 1643 O SER A 101 9.026 3.632 -0.942 1.00 42.25 O ATOM 1644 CB SER A 101 8.345 6.337 -2.785 1.00 61.22 C ATOM 1645 OG SER A 101 8.122 6.747 -1.444 1.00 63.14 O ATOM 0 H SER A 101 8.816 5.166 -4.926 1.00 53.03 H new ATOM 0 HA SER A 101 10.191 5.265 -2.415 1.00 2.10 H new ATOM 0 HB2 SER A 101 8.828 7.145 -3.335 1.00 61.22 H new ATOM 0 HB3 SER A 101 7.387 6.149 -3.270 1.00 61.22 H new ATOM 0 HG SER A 101 7.170 6.660 -1.229 1.00 63.14 H new ATOM 1651 N LEU A 102 7.559 3.212 -2.629 1.00 62.25 N ATOM 1652 CA LEU A 102 6.820 2.166 -1.867 1.00 51.42 C ATOM 1653 C LEU A 102 7.698 0.900 -1.685 1.00 0.11 C ATOM 1654 O LEU A 102 7.697 0.272 -0.611 1.00 2.13 O ATOM 1655 CB LEU A 102 5.452 1.821 -2.544 1.00 72.23 C ATOM 1656 CG LEU A 102 4.256 1.531 -1.578 1.00 44.43 C ATOM 1657 CD1 LEU A 102 3.934 2.776 -0.724 1.00 53.43 C ATOM 1658 CD2 LEU A 102 3.006 1.043 -2.350 1.00 42.32 C ATOM 0 H LEU A 102 7.231 3.352 -3.585 1.00 62.25 H new ATOM 0 HA LEU A 102 6.596 2.566 -0.878 1.00 51.42 H new ATOM 0 HB2 LEU A 102 5.173 2.650 -3.195 1.00 72.23 H new ATOM 0 HB3 LEU A 102 5.596 0.949 -3.182 1.00 72.23 H new ATOM 0 HG LEU A 102 4.556 0.725 -0.908 1.00 44.43 H new ATOM 0 HD11 LEU A 102 3.100 2.555 -0.059 1.00 53.43 H new ATOM 0 HD12 LEU A 102 4.808 3.047 -0.132 1.00 53.43 H new ATOM 0 HD13 LEU A 102 3.667 3.606 -1.378 1.00 53.43 H new ATOM 0 HD21 LEU A 102 2.196 0.852 -1.647 1.00 42.32 H new ATOM 0 HD22 LEU A 102 2.696 1.808 -3.061 1.00 42.32 H new ATOM 0 HD23 LEU A 102 3.245 0.125 -2.886 1.00 42.32 H new ATOM 1670 N ASN A 103 8.476 0.552 -2.733 1.00 63.13 N ATOM 1671 CA ASN A 103 9.408 -0.594 -2.683 1.00 21.13 C ATOM 1672 C ASN A 103 10.687 -0.224 -1.896 1.00 20.24 C ATOM 1673 O ASN A 103 11.363 -1.111 -1.369 1.00 30.44 O ATOM 1674 CB ASN A 103 9.772 -1.100 -4.108 1.00 4.04 C ATOM 1675 CG ASN A 103 10.460 -2.469 -4.115 1.00 13.45 C ATOM 1676 OD1 ASN A 103 10.157 -3.328 -3.288 1.00 64.31 O ATOM 1677 ND2 ASN A 103 11.380 -2.690 -5.037 1.00 54.33 N ATOM 0 H ASN A 103 8.476 1.049 -3.624 1.00 63.13 H new ATOM 0 HA ASN A 103 8.901 -1.407 -2.163 1.00 21.13 H new ATOM 0 HB2 ASN A 103 8.864 -1.156 -4.708 1.00 4.04 H new ATOM 0 HB3 ASN A 103 10.426 -0.371 -4.587 1.00 4.04 H new ATOM 0 HD21 ASN A 103 11.858 -3.590 -5.075 1.00 54.33 H new ATOM 0 HD22 ASN A 103 11.612 -1.960 -5.711 1.00 54.33 H new ATOM 1684 N ASN A 104 11.025 1.090 -1.838 1.00 14.12 N ATOM 1685 CA ASN A 104 12.113 1.606 -0.964 1.00 40.14 C ATOM 1686 C ASN A 104 11.720 1.439 0.509 1.00 32.34 C ATOM 1687 O ASN A 104 12.566 1.111 1.346 1.00 71.14 O ATOM 1688 CB ASN A 104 12.423 3.098 -1.260 1.00 52.25 C ATOM 1689 CG ASN A 104 13.562 3.700 -0.427 1.00 3.12 C ATOM 1690 OD1 ASN A 104 13.492 4.995 -0.164 1.00 30.32 O flip ATOM 1691 ND2 ASN A 104 14.504 3.012 -0.033 1.00 24.41 N flip ATOM 0 H ASN A 104 10.559 1.813 -2.387 1.00 14.12 H new ATOM 0 HA ASN A 104 13.013 1.028 -1.172 1.00 40.14 H new ATOM 0 HB2 ASN A 104 12.672 3.199 -2.316 1.00 52.25 H new ATOM 0 HB3 ASN A 104 11.519 3.683 -1.088 1.00 52.25 H new ATOM 0 HD21 ASN A 104 14.534 2.016 -0.250 1.00 24.41 H new ATOM 0 HD22 ASN A 104 15.255 3.438 0.510 1.00 24.41 H new ATOM 1698 N ALA A 105 10.420 1.669 0.801 1.00 33.32 N ATOM 1699 CA ALA A 105 9.841 1.447 2.132 1.00 64.22 C ATOM 1700 C ALA A 105 9.968 -0.031 2.518 1.00 14.11 C ATOM 1701 O ALA A 105 10.424 -0.351 3.617 1.00 73.54 O ATOM 1702 CB ALA A 105 8.368 1.898 2.169 1.00 13.54 C ATOM 0 H ALA A 105 9.748 2.014 0.116 1.00 33.32 H new ATOM 0 HA ALA A 105 10.392 2.046 2.858 1.00 64.22 H new ATOM 0 HB1 ALA A 105 7.959 1.724 3.164 1.00 13.54 H new ATOM 0 HB2 ALA A 105 8.307 2.960 1.932 1.00 13.54 H new ATOM 0 HB3 ALA A 105 7.795 1.329 1.437 1.00 13.54 H new ATOM 1708 N TYR A 106 9.580 -0.912 1.570 1.00 42.54 N ATOM 1709 CA TYR A 106 9.695 -2.378 1.712 1.00 53.22 C ATOM 1710 C TYR A 106 11.156 -2.795 2.018 1.00 33.31 C ATOM 1711 O TYR A 106 11.407 -3.517 2.983 1.00 73.50 O ATOM 1712 CB TYR A 106 9.200 -3.073 0.406 1.00 51.33 C ATOM 1713 CG TYR A 106 8.994 -4.611 0.491 1.00 71.14 C ATOM 1714 CD1 TYR A 106 10.057 -5.495 0.711 1.00 73.40 C ATOM 1715 CD2 TYR A 106 7.737 -5.178 0.310 1.00 71.52 C ATOM 1716 CE1 TYR A 106 9.871 -6.850 0.759 1.00 3.03 C ATOM 1717 CE2 TYR A 106 7.553 -6.536 0.366 1.00 1.23 C ATOM 1718 CZ TYR A 106 8.619 -7.372 0.581 1.00 62.43 C ATOM 1719 OH TYR A 106 8.430 -8.739 0.604 1.00 70.21 O ATOM 0 H TYR A 106 9.176 -0.623 0.679 1.00 42.54 H new ATOM 0 HA TYR A 106 9.072 -2.694 2.549 1.00 53.22 H new ATOM 0 HB2 TYR A 106 8.256 -2.615 0.109 1.00 51.33 H new ATOM 0 HB3 TYR A 106 9.918 -2.865 -0.387 1.00 51.33 H new ATOM 0 HD1 TYR A 106 11.052 -5.097 0.847 1.00 73.40 H new ATOM 0 HD2 TYR A 106 6.889 -4.536 0.122 1.00 71.52 H new ATOM 0 HE1 TYR A 106 10.711 -7.506 0.937 1.00 3.03 H new ATOM 0 HE2 TYR A 106 6.563 -6.949 0.240 1.00 1.23 H new ATOM 0 HH TYR A 106 7.481 -8.941 0.463 1.00 70.21 H new ATOM 1729 N GLY A 107 12.091 -2.338 1.160 1.00 4.15 N ATOM 1730 CA GLY A 107 13.493 -2.773 1.201 1.00 60.20 C ATOM 1731 C GLY A 107 14.238 -2.285 2.435 1.00 63.45 C ATOM 1732 O GLY A 107 15.055 -3.017 3.008 1.00 4.15 O ATOM 0 H GLY A 107 11.892 -1.660 0.424 1.00 4.15 H new ATOM 0 HA2 GLY A 107 13.530 -3.862 1.170 1.00 60.20 H new ATOM 0 HA3 GLY A 107 14.005 -2.411 0.309 1.00 60.20 H new ATOM 1736 N ARG A 108 13.936 -1.043 2.847 1.00 42.34 N ATOM 1737 CA ARG A 108 14.510 -0.421 4.049 1.00 43.12 C ATOM 1738 C ARG A 108 13.931 -1.093 5.312 1.00 52.31 C ATOM 1739 O ARG A 108 14.619 -1.198 6.333 1.00 5.05 O ATOM 1740 CB ARG A 108 14.232 1.110 4.034 1.00 62.35 C ATOM 1741 CG ARG A 108 14.857 1.911 5.204 1.00 41.04 C ATOM 1742 CD ARG A 108 14.685 3.438 5.041 1.00 23.25 C ATOM 1743 NE ARG A 108 13.264 3.855 4.964 1.00 54.23 N ATOM 1744 CZ ARG A 108 12.643 4.333 3.866 1.00 23.52 C ATOM 1745 NH1 ARG A 108 13.294 4.465 2.713 1.00 41.23 N ATOM 1746 NH2 ARG A 108 11.380 4.712 3.942 1.00 35.12 N ATOM 0 H ARG A 108 13.281 -0.439 2.351 1.00 42.34 H new ATOM 0 HA ARG A 108 15.590 -0.564 4.059 1.00 43.12 H new ATOM 0 HB2 ARG A 108 14.604 1.520 3.095 1.00 62.35 H new ATOM 0 HB3 ARG A 108 13.153 1.266 4.045 1.00 62.35 H new ATOM 0 HG2 ARG A 108 14.398 1.596 6.141 1.00 41.04 H new ATOM 0 HG3 ARG A 108 15.919 1.675 5.274 1.00 41.04 H new ATOM 0 HD2 ARG A 108 15.162 3.944 5.881 1.00 23.25 H new ATOM 0 HD3 ARG A 108 15.203 3.762 4.138 1.00 23.25 H new ATOM 0 HE ARG A 108 12.708 3.773 5.815 1.00 54.23 H new ATOM 0 HH11 ARG A 108 14.278 4.203 2.650 1.00 41.23 H new ATOM 0 HH12 ARG A 108 12.809 4.828 1.892 1.00 41.23 H new ATOM 0 HH21 ARG A 108 10.879 4.643 4.828 1.00 35.12 H new ATOM 0 HH22 ARG A 108 10.906 5.074 3.115 1.00 35.12 H new ATOM 1760 N LEU A 109 12.653 -1.541 5.226 1.00 53.42 N ATOM 1761 CA LEU A 109 11.983 -2.300 6.307 1.00 35.50 C ATOM 1762 C LEU A 109 12.630 -3.669 6.488 1.00 34.55 C ATOM 1763 O LEU A 109 12.934 -4.075 7.615 1.00 51.45 O ATOM 1764 CB LEU A 109 10.472 -2.448 6.022 1.00 60.04 C ATOM 1765 CG LEU A 109 9.620 -3.190 7.105 1.00 33.24 C ATOM 1766 CD1 LEU A 109 9.722 -2.535 8.502 1.00 73.11 C ATOM 1767 CD2 LEU A 109 8.166 -3.284 6.657 1.00 32.05 C ATOM 0 H LEU A 109 12.062 -1.386 4.409 1.00 53.42 H new ATOM 0 HA LEU A 109 12.101 -1.739 7.234 1.00 35.50 H new ATOM 0 HB2 LEU A 109 10.053 -1.451 5.884 1.00 60.04 H new ATOM 0 HB3 LEU A 109 10.355 -2.977 5.076 1.00 60.04 H new ATOM 0 HG LEU A 109 10.033 -4.194 7.204 1.00 33.24 H new ATOM 0 HD11 LEU A 109 9.110 -3.093 9.211 1.00 73.11 H new ATOM 0 HD12 LEU A 109 10.760 -2.544 8.833 1.00 73.11 H new ATOM 0 HD13 LEU A 109 9.367 -1.506 8.448 1.00 73.11 H new ATOM 0 HD21 LEU A 109 7.583 -3.802 7.419 1.00 32.05 H new ATOM 0 HD22 LEU A 109 7.764 -2.281 6.513 1.00 32.05 H new ATOM 0 HD23 LEU A 109 8.109 -3.836 5.719 1.00 32.05 H new ATOM 1779 N SER A 110 12.859 -4.348 5.358 1.00 51.50 N ATOM 1780 CA SER A 110 13.442 -5.682 5.326 1.00 12.41 C ATOM 1781 C SER A 110 14.914 -5.632 5.785 1.00 12.04 C ATOM 1782 O SER A 110 15.375 -6.548 6.476 1.00 12.04 O ATOM 1783 CB SER A 110 13.315 -6.272 3.898 1.00 24.54 C ATOM 1784 OG SER A 110 13.722 -7.634 3.850 1.00 41.40 O ATOM 0 H SER A 110 12.640 -3.977 4.433 1.00 51.50 H new ATOM 0 HA SER A 110 12.902 -6.332 6.014 1.00 12.41 H new ATOM 0 HB2 SER A 110 12.282 -6.190 3.562 1.00 24.54 H new ATOM 0 HB3 SER A 110 13.923 -5.687 3.208 1.00 24.54 H new ATOM 0 HG SER A 110 13.627 -7.972 2.935 1.00 41.40 H new ATOM 1790 N GLY A 111 15.627 -4.529 5.433 1.00 31.23 N ATOM 1791 CA GLY A 111 17.049 -4.407 5.744 1.00 65.13 C ATOM 1792 C GLY A 111 17.316 -3.887 7.156 1.00 33.24 C ATOM 1793 O GLY A 111 17.859 -4.629 7.980 1.00 32.22 O ATOM 0 H GLY A 111 15.232 -3.728 4.940 1.00 31.23 H new ATOM 0 HA2 GLY A 111 17.524 -5.381 5.627 1.00 65.13 H new ATOM 0 HA3 GLY A 111 17.515 -3.736 5.023 1.00 65.13 H new ATOM 1797 N MET A 112 16.906 -2.627 7.473 1.00 52.01 N ATOM 1798 CA MET A 112 17.123 -2.057 8.829 1.00 4.22 C ATOM 1799 C MET A 112 15.869 -2.260 9.703 1.00 3.42 C ATOM 1800 O MET A 112 15.911 -3.053 10.637 1.00 21.10 O ATOM 1801 CB MET A 112 17.506 -0.537 8.764 1.00 53.22 C ATOM 1802 CG MET A 112 18.477 -0.073 9.883 1.00 70.02 C ATOM 1803 SD MET A 112 17.954 -0.511 11.566 1.00 42.22 S ATOM 1804 CE MET A 112 16.605 0.624 11.884 1.00 52.30 C ATOM 0 H MET A 112 16.433 -2.000 6.822 1.00 52.01 H new ATOM 0 HA MET A 112 17.960 -2.588 9.282 1.00 4.22 H new ATOM 0 HB2 MET A 112 17.962 -0.331 7.796 1.00 53.22 H new ATOM 0 HB3 MET A 112 16.594 0.058 8.821 1.00 53.22 H new ATOM 0 HG2 MET A 112 19.459 -0.508 9.697 1.00 70.02 H new ATOM 0 HG3 MET A 112 18.591 1.009 9.822 1.00 70.02 H new ATOM 0 HE1 MET A 112 16.291 0.533 12.924 1.00 52.30 H new ATOM 0 HE2 MET A 112 16.936 1.645 11.692 1.00 52.30 H new ATOM 0 HE3 MET A 112 15.767 0.385 11.230 1.00 52.30 H new ATOM 1814 N LEU A 113 14.745 -1.576 9.316 1.00 61.43 N ATOM 1815 CA LEU A 113 13.408 -1.633 10.005 1.00 72.11 C ATOM 1816 C LEU A 113 12.500 -0.449 9.536 1.00 32.40 C ATOM 1817 O LEU A 113 11.638 0.023 10.285 1.00 22.31 O ATOM 1818 CB LEU A 113 13.542 -1.605 11.568 1.00 64.24 C ATOM 1819 CG LEU A 113 12.310 -2.123 12.370 1.00 70.23 C ATOM 1820 CD1 LEU A 113 11.956 -3.578 11.983 1.00 14.00 C ATOM 1821 CD2 LEU A 113 12.533 -1.971 13.890 1.00 50.21 C ATOM 0 H LEU A 113 14.741 -0.959 8.504 1.00 61.43 H new ATOM 0 HA LEU A 113 12.949 -2.582 9.727 1.00 72.11 H new ATOM 0 HB2 LEU A 113 14.410 -2.201 11.849 1.00 64.24 H new ATOM 0 HB3 LEU A 113 13.746 -0.580 11.877 1.00 64.24 H new ATOM 0 HG LEU A 113 11.453 -1.504 12.103 1.00 70.23 H new ATOM 0 HD11 LEU A 113 11.093 -3.908 12.561 1.00 14.00 H new ATOM 0 HD12 LEU A 113 11.721 -3.625 10.920 1.00 14.00 H new ATOM 0 HD13 LEU A 113 12.805 -4.228 12.196 1.00 14.00 H new ATOM 0 HD21 LEU A 113 11.658 -2.340 14.425 1.00 50.21 H new ATOM 0 HD22 LEU A 113 13.410 -2.546 14.188 1.00 50.21 H new ATOM 0 HD23 LEU A 113 12.689 -0.920 14.132 1.00 50.21 H new ATOM 1833 N LEU A 114 12.726 0.029 8.288 1.00 33.43 N ATOM 1834 CA LEU A 114 11.998 1.175 7.647 1.00 71.23 C ATOM 1835 C LEU A 114 12.472 2.534 8.224 1.00 10.11 C ATOM 1836 O LEU A 114 12.100 3.606 7.724 1.00 4.21 O ATOM 1837 CB LEU A 114 10.434 1.009 7.720 1.00 24.33 C ATOM 1838 CG LEU A 114 9.615 1.172 6.396 1.00 62.20 C ATOM 1839 CD1 LEU A 114 8.115 0.848 6.608 1.00 43.03 C ATOM 1840 CD2 LEU A 114 9.794 2.569 5.771 1.00 53.42 C ATOM 0 H LEU A 114 13.435 -0.375 7.676 1.00 33.43 H new ATOM 0 HA LEU A 114 12.252 1.165 6.587 1.00 71.23 H new ATOM 0 HB2 LEU A 114 10.222 0.019 8.124 1.00 24.33 H new ATOM 0 HB3 LEU A 114 10.054 1.735 8.439 1.00 24.33 H new ATOM 0 HG LEU A 114 10.018 0.446 5.690 1.00 62.20 H new ATOM 0 HD11 LEU A 114 7.579 0.972 5.667 1.00 43.03 H new ATOM 0 HD12 LEU A 114 8.010 -0.181 6.952 1.00 43.03 H new ATOM 0 HD13 LEU A 114 7.699 1.524 7.355 1.00 43.03 H new ATOM 0 HD21 LEU A 114 9.207 2.636 4.855 1.00 53.42 H new ATOM 0 HD22 LEU A 114 9.455 3.329 6.475 1.00 53.42 H new ATOM 0 HD23 LEU A 114 10.847 2.732 5.540 1.00 53.42 H new ATOM 1852 N VAL A 115 13.325 2.465 9.251 1.00 42.21 N ATOM 1853 CA VAL A 115 13.908 3.624 9.908 1.00 22.23 C ATOM 1854 C VAL A 115 15.393 3.679 9.500 1.00 40.02 C ATOM 1855 O VAL A 115 16.090 2.670 9.642 1.00 62.12 O ATOM 1856 CB VAL A 115 13.772 3.514 11.476 1.00 71.44 C ATOM 1857 CG1 VAL A 115 14.223 4.820 12.159 1.00 33.44 C ATOM 1858 CG2 VAL A 115 12.322 3.131 11.893 1.00 44.14 C ATOM 0 H VAL A 115 13.632 1.579 9.653 1.00 42.21 H new ATOM 0 HA VAL A 115 13.387 4.532 9.605 1.00 22.23 H new ATOM 0 HB VAL A 115 14.431 2.714 11.813 1.00 71.44 H new ATOM 0 HG11 VAL A 115 14.120 4.720 13.239 1.00 33.44 H new ATOM 0 HG12 VAL A 115 15.265 5.019 11.911 1.00 33.44 H new ATOM 0 HG13 VAL A 115 13.603 5.646 11.810 1.00 33.44 H new ATOM 0 HG21 VAL A 115 12.262 3.063 12.979 1.00 44.14 H new ATOM 0 HG22 VAL A 115 11.628 3.893 11.538 1.00 44.14 H new ATOM 0 HG23 VAL A 115 12.060 2.168 11.454 1.00 44.14 H new ATOM 1868 N PRO A 116 15.891 4.806 8.912 1.00 64.30 N ATOM 1869 CA PRO A 116 17.325 4.935 8.571 1.00 70.15 C ATOM 1870 C PRO A 116 18.201 5.174 9.832 1.00 1.31 C ATOM 1871 O PRO A 116 18.212 6.273 10.394 1.00 25.21 O ATOM 1872 CB PRO A 116 17.344 6.131 7.578 1.00 13.04 C ATOM 1873 CG PRO A 116 16.148 6.970 7.951 1.00 34.11 C ATOM 1874 CD PRO A 116 15.106 6.009 8.506 1.00 24.11 C ATOM 0 HA PRO A 116 17.750 4.031 8.135 1.00 70.15 H new ATOM 0 HB2 PRO A 116 18.269 6.702 7.666 1.00 13.04 H new ATOM 0 HB3 PRO A 116 17.278 5.787 6.546 1.00 13.04 H new ATOM 0 HG2 PRO A 116 16.417 7.722 8.693 1.00 34.11 H new ATOM 0 HG3 PRO A 116 15.761 7.503 7.082 1.00 34.11 H new ATOM 0 HD2 PRO A 116 14.577 6.443 9.354 1.00 24.11 H new ATOM 0 HD3 PRO A 116 14.356 5.760 7.756 1.00 24.11 H new ATOM 1882 N ASP A 117 18.895 4.104 10.287 1.00 30.43 N ATOM 1883 CA ASP A 117 19.825 4.145 11.448 1.00 64.24 C ATOM 1884 C ASP A 117 21.057 3.273 11.176 1.00 55.44 C ATOM 1885 O ASP A 117 21.373 2.361 11.954 1.00 33.23 O ATOM 1886 CB ASP A 117 19.119 3.700 12.771 1.00 75.21 C ATOM 1887 CG ASP A 117 18.232 4.791 13.390 1.00 14.41 C ATOM 1888 OD1 ASP A 117 17.068 4.512 13.747 1.00 70.42 O ATOM 1889 OD2 ASP A 117 18.710 5.941 13.535 1.00 64.14 O ATOM 0 H ASP A 117 18.827 3.181 9.858 1.00 30.43 H new ATOM 0 HA ASP A 117 20.145 5.179 11.579 1.00 64.24 H new ATOM 0 HB2 ASP A 117 18.510 2.819 12.570 1.00 75.21 H new ATOM 0 HB3 ASP A 117 19.877 3.405 13.496 1.00 75.21 H new ATOM 1894 N ALA A 118 21.733 3.576 10.047 1.00 21.11 N ATOM 1895 CA ALA A 118 22.961 2.889 9.583 1.00 22.42 C ATOM 1896 C ALA A 118 22.687 1.425 9.127 1.00 35.44 C ATOM 1897 O ALA A 118 21.888 0.710 9.752 1.00 42.52 O ATOM 1898 CB ALA A 118 24.094 2.944 10.641 1.00 20.11 C ATOM 0 H ALA A 118 21.435 4.321 9.418 1.00 21.11 H new ATOM 0 HA ALA A 118 23.303 3.439 8.706 1.00 22.42 H new ATOM 0 HB1 ALA A 118 24.975 2.428 10.258 1.00 20.11 H new ATOM 0 HB2 ALA A 118 24.345 3.984 10.851 1.00 20.11 H new ATOM 0 HB3 ALA A 118 23.759 2.459 11.558 1.00 20.11 H new ATOM 1904 N PRO A 119 23.328 0.955 8.008 1.00 71.43 N ATOM 1905 CA PRO A 119 23.350 -0.482 7.650 1.00 34.33 C ATOM 1906 C PRO A 119 24.423 -1.231 8.476 1.00 0.23 C ATOM 1907 O PRO A 119 25.004 -0.665 9.412 1.00 13.22 O ATOM 1908 CB PRO A 119 23.682 -0.443 6.135 1.00 34.41 C ATOM 1909 CG PRO A 119 24.548 0.775 5.970 1.00 22.04 C ATOM 1910 CD PRO A 119 24.056 1.783 7.002 1.00 55.03 C ATOM 0 HA PRO A 119 22.422 -1.014 7.859 1.00 34.33 H new ATOM 0 HB2 PRO A 119 24.204 -1.347 5.820 1.00 34.41 H new ATOM 0 HB3 PRO A 119 22.777 -0.371 5.532 1.00 34.41 H new ATOM 0 HG2 PRO A 119 25.598 0.532 6.132 1.00 22.04 H new ATOM 0 HG3 PRO A 119 24.466 1.178 4.961 1.00 22.04 H new ATOM 0 HD2 PRO A 119 24.886 2.324 7.457 1.00 55.03 H new ATOM 0 HD3 PRO A 119 23.400 2.527 6.550 1.00 55.03 H new ATOM 1918 N GLY A 120 24.679 -2.498 8.128 1.00 61.25 N ATOM 1919 CA GLY A 120 25.649 -3.334 8.844 1.00 23.15 C ATOM 1920 C GLY A 120 26.482 -4.162 7.894 1.00 74.32 C ATOM 1921 O GLY A 120 26.210 -4.195 6.685 1.00 35.53 O ATOM 0 H GLY A 120 24.223 -2.970 7.347 1.00 61.25 H new ATOM 0 HA2 GLY A 120 26.303 -2.701 9.444 1.00 23.15 H new ATOM 0 HA3 GLY A 120 25.122 -3.992 9.535 1.00 23.15 H new ATOM 1925 N ALA A 121 27.507 -4.829 8.456 1.00 71.11 N ATOM 1926 CA ALA A 121 28.409 -5.731 7.711 1.00 44.41 C ATOM 1927 C ALA A 121 27.642 -6.936 7.138 1.00 71.12 C ATOM 1928 O ALA A 121 27.965 -7.428 6.052 1.00 15.10 O ATOM 1929 CB ALA A 121 29.565 -6.196 8.618 1.00 74.22 C ATOM 0 H ALA A 121 27.735 -4.757 9.448 1.00 71.11 H new ATOM 0 HA ALA A 121 28.828 -5.178 6.870 1.00 44.41 H new ATOM 0 HB1 ALA A 121 30.223 -6.860 8.057 1.00 74.22 H new ATOM 0 HB2 ALA A 121 30.130 -5.329 8.960 1.00 74.22 H new ATOM 0 HB3 ALA A 121 29.160 -6.728 9.479 1.00 74.22 H new ATOM 1935 N SER A 122 26.629 -7.396 7.894 1.00 12.31 N ATOM 1936 CA SER A 122 25.713 -8.476 7.492 1.00 51.42 C ATOM 1937 C SER A 122 24.253 -8.014 7.756 1.00 2.10 C ATOM 1938 O SER A 122 23.814 -8.030 8.923 1.00 31.43 O ATOM 1939 CB SER A 122 26.061 -9.777 8.275 1.00 43.04 C ATOM 1940 OG SER A 122 27.389 -10.196 8.002 1.00 73.22 O ATOM 1941 OXT SER A 122 23.560 -7.599 6.804 1.00 38.58 O ATOM 0 H SER A 122 26.421 -7.020 8.819 1.00 12.31 H new ATOM 0 HA SER A 122 25.819 -8.696 6.430 1.00 51.42 H new ATOM 0 HB2 SER A 122 25.943 -9.604 9.345 1.00 43.04 H new ATOM 0 HB3 SER A 122 25.363 -10.568 8.001 1.00 43.04 H new ATOM 0 HG SER A 122 27.584 -11.013 8.506 1.00 73.22 H new TER 1947 SER A 122