USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 840 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 91 ASN : amide:sc= 0.53 K(o=1.7,f=-6.1!) USER MOD Set 1.2: A 93 THR OG1 : rot -81:sc= 1.18 USER MOD Set 2.1: A 62 THR OG1 : rot 85:sc= 0.921 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.78 K(o=1.7,f=-1) USER MOD Set 3.1: A 52 TYR OH : rot -161:sc= 0.779 USER MOD Set 3.2: A 72 ASN : amide:sc= 0.825 K(o=1.6,f=-1.3) USER MOD Set 4.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 36 LYS NZ :NH3+ -151:sc= 0.191 (180deg=0.0133) USER MOD Set 5.1: A 21 SER OG : rot -69:sc= 1.45 USER MOD Set 5.2: A 24 THR OG1 : rot -160:sc= 1.34 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -111:sc= 1.23 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot -130:sc= -3.46! USER MOD Single : A 15 ASN : amide:sc= 0.988 K(o=0.99,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.12) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.16) USER MOD Single : A 27 HIS :FLIP no HD1:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 28 TYR OH : rot 84:sc= 0.119 USER MOD Single : A 30 SER OG : rot 86:sc= 1.22 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.382 X(o=-0.38,f=0.096) USER MOD Single : A 38 HIS : no HD1:sc= 1.26 K(o=1.3,f=-5!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= -1.49! (180deg=-1.96!) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0206) USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= 0.857 (180deg=-0.927!) USER MOD Single : A 50 THR OG1 : rot 110:sc= 1.27 USER MOD Single : A 53 GLN : amide:sc= 0.541 K(o=0.54,f=-4.8!) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc=-0.00414 (180deg=-0.0713) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.401 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.746 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 166:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.747 K(o=-0.75,f=-1.5!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 30:sc= -0.972 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HE2:sc= -0.619! C(o=-0.62!,f=-6.3!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 4.116 6.810 12.674 1.00 34.03 N ATOM 21 CA ILE A 2 4.379 5.417 12.361 1.00 31.14 C ATOM 22 C ILE A 2 4.894 5.289 10.925 1.00 53.13 C ATOM 23 O ILE A 2 4.615 6.145 10.080 1.00 41.14 O ATOM 24 CB ILE A 2 3.090 4.580 12.553 1.00 14.44 C ATOM 25 CG1 ILE A 2 3.338 3.093 12.285 1.00 23.54 C ATOM 26 CG2 ILE A 2 1.986 5.104 11.649 1.00 20.02 C ATOM 27 CD1 ILE A 2 2.130 2.218 12.552 1.00 1.01 C ATOM 0 HA ILE A 2 5.145 5.038 13.038 1.00 31.14 H new ATOM 0 HB ILE A 2 2.778 4.680 13.593 1.00 14.44 H new ATOM 0 HG12 ILE A 2 3.646 2.966 11.247 1.00 23.54 H new ATOM 0 HG13 ILE A 2 4.166 2.754 12.907 1.00 23.54 H new ATOM 0 HG21 ILE A 2 1.085 4.508 11.792 1.00 20.02 H new ATOM 0 HG22 ILE A 2 1.776 6.145 11.897 1.00 20.02 H new ATOM 0 HG23 ILE A 2 2.304 5.036 10.609 1.00 20.02 H new ATOM 0 HD11 ILE A 2 2.380 1.178 12.341 1.00 1.01 H new ATOM 0 HD12 ILE A 2 1.834 2.315 13.597 1.00 1.01 H new ATOM 0 HD13 ILE A 2 1.306 2.530 11.911 1.00 1.01 H new ATOM 39 N THR A 3 5.669 4.252 10.656 1.00 71.33 N ATOM 40 CA THR A 3 6.162 4.010 9.313 1.00 73.24 C ATOM 41 C THR A 3 5.022 3.566 8.404 1.00 42.12 C ATOM 42 O THR A 3 4.070 2.926 8.859 1.00 11.21 O ATOM 43 CB THR A 3 7.279 2.949 9.307 1.00 43.51 C ATOM 44 OG1 THR A 3 6.828 1.758 9.959 1.00 73.44 O ATOM 45 CG2 THR A 3 8.524 3.474 10.003 1.00 14.40 C ATOM 0 H THR A 3 5.969 3.566 11.349 1.00 71.33 H new ATOM 0 HA THR A 3 6.579 4.945 8.939 1.00 73.24 H new ATOM 0 HB THR A 3 7.529 2.721 8.271 1.00 43.51 H new ATOM 0 HG1 THR A 3 7.544 1.089 9.949 1.00 73.44 H new ATOM 0 HG21 THR A 3 9.300 2.709 9.987 1.00 14.40 H new ATOM 0 HG22 THR A 3 8.882 4.364 9.486 1.00 14.40 H new ATOM 0 HG23 THR A 3 8.284 3.726 11.036 1.00 14.40 H new ATOM 53 N PHE A 4 5.116 3.908 7.124 1.00 12.14 N ATOM 54 CA PHE A 4 4.066 3.578 6.166 1.00 35.43 C ATOM 55 C PHE A 4 3.868 2.067 6.079 1.00 20.21 C ATOM 56 O PHE A 4 2.740 1.585 5.984 1.00 71.20 O ATOM 57 CB PHE A 4 4.405 4.157 4.788 1.00 24.33 C ATOM 58 CG PHE A 4 3.410 3.804 3.717 1.00 54.21 C ATOM 59 CD1 PHE A 4 2.049 3.923 3.949 1.00 30.52 C ATOM 60 CD2 PHE A 4 3.837 3.338 2.486 1.00 2.52 C ATOM 61 CE1 PHE A 4 1.134 3.586 2.971 1.00 73.03 C ATOM 62 CE2 PHE A 4 2.926 2.996 1.505 1.00 31.41 C ATOM 63 CZ PHE A 4 1.573 3.120 1.748 1.00 31.33 C ATOM 0 H PHE A 4 5.907 4.413 6.725 1.00 12.14 H new ATOM 0 HA PHE A 4 3.132 4.022 6.511 1.00 35.43 H new ATOM 0 HB2 PHE A 4 4.470 5.242 4.867 1.00 24.33 H new ATOM 0 HB3 PHE A 4 5.390 3.800 4.487 1.00 24.33 H new ATOM 0 HD1 PHE A 4 1.700 4.283 4.905 1.00 30.52 H new ATOM 0 HD2 PHE A 4 4.895 3.240 2.290 1.00 2.52 H new ATOM 0 HE1 PHE A 4 0.076 3.687 3.163 1.00 73.03 H new ATOM 0 HE2 PHE A 4 3.272 2.632 0.549 1.00 31.41 H new ATOM 0 HZ PHE A 4 0.859 2.853 0.983 1.00 31.33 H new ATOM 73 N ALA A 5 4.970 1.332 6.135 1.00 32.34 N ATOM 74 CA ALA A 5 4.927 -0.119 6.052 1.00 33.03 C ATOM 75 C ALA A 5 4.122 -0.714 7.206 1.00 64.52 C ATOM 76 O ALA A 5 3.206 -1.505 6.989 1.00 62.33 O ATOM 77 CB ALA A 5 6.339 -0.684 6.041 1.00 12.33 C ATOM 0 H ALA A 5 5.908 1.720 6.238 1.00 32.34 H new ATOM 0 HA ALA A 5 4.429 -0.393 5.122 1.00 33.03 H new ATOM 0 HB1 ALA A 5 6.295 -1.771 5.979 1.00 12.33 H new ATOM 0 HB2 ALA A 5 6.881 -0.293 5.180 1.00 12.33 H new ATOM 0 HB3 ALA A 5 6.854 -0.394 6.957 1.00 12.33 H new ATOM 83 N ASP A 6 4.451 -0.314 8.429 1.00 11.34 N ATOM 84 CA ASP A 6 3.804 -0.872 9.609 1.00 61.14 C ATOM 85 C ASP A 6 2.363 -0.386 9.727 1.00 40.42 C ATOM 86 O ASP A 6 1.491 -1.120 10.189 1.00 0.40 O ATOM 87 CB ASP A 6 4.593 -0.517 10.870 1.00 14.02 C ATOM 88 CG ASP A 6 4.035 -1.177 12.116 1.00 62.03 C ATOM 89 OD1 ASP A 6 3.841 -2.411 12.106 1.00 4.14 O ATOM 90 OD2 ASP A 6 3.824 -0.473 13.123 1.00 2.34 O ATOM 0 H ASP A 6 5.160 0.392 8.628 1.00 11.34 H new ATOM 0 HA ASP A 6 3.786 -1.957 9.502 1.00 61.14 H new ATOM 0 HB2 ASP A 6 5.633 -0.817 10.739 1.00 14.02 H new ATOM 0 HB3 ASP A 6 4.588 0.565 11.004 1.00 14.02 H new ATOM 95 N TYR A 7 2.110 0.846 9.292 1.00 51.31 N ATOM 96 CA TYR A 7 0.754 1.388 9.303 1.00 63.20 C ATOM 97 C TYR A 7 -0.133 0.578 8.372 1.00 20.00 C ATOM 98 O TYR A 7 -1.266 0.248 8.711 1.00 55.51 O ATOM 99 CB TYR A 7 0.748 2.859 8.877 1.00 51.02 C ATOM 100 CG TYR A 7 -0.573 3.566 9.126 1.00 32.13 C ATOM 101 CD1 TYR A 7 -0.892 4.039 10.392 1.00 13.04 C ATOM 102 CD2 TYR A 7 -1.493 3.774 8.101 1.00 52.13 C ATOM 103 CE1 TYR A 7 -2.082 4.697 10.634 1.00 13.23 C ATOM 104 CE2 TYR A 7 -2.691 4.431 8.338 1.00 13.34 C ATOM 105 CZ TYR A 7 -2.978 4.891 9.607 1.00 50.44 C ATOM 106 OH TYR A 7 -4.160 5.557 9.857 1.00 74.31 O ATOM 0 H TYR A 7 2.820 1.483 8.930 1.00 51.31 H new ATOM 0 HA TYR A 7 0.368 1.324 10.320 1.00 63.20 H new ATOM 0 HB2 TYR A 7 1.538 3.386 9.413 1.00 51.02 H new ATOM 0 HB3 TYR A 7 0.988 2.921 7.815 1.00 51.02 H new ATOM 0 HD1 TYR A 7 -0.196 3.889 11.204 1.00 13.04 H new ATOM 0 HD2 TYR A 7 -1.270 3.418 7.106 1.00 52.13 H new ATOM 0 HE1 TYR A 7 -2.309 5.058 11.626 1.00 13.23 H new ATOM 0 HE2 TYR A 7 -3.396 4.582 7.534 1.00 13.34 H new ATOM 0 HH TYR A 7 -4.910 4.931 9.783 1.00 74.31 H new ATOM 116 N PHE A 8 0.406 0.256 7.201 1.00 61.50 N ATOM 117 CA PHE A 8 -0.306 -0.550 6.220 1.00 52.21 C ATOM 118 C PHE A 8 -0.609 -1.931 6.790 1.00 24.12 C ATOM 119 O PHE A 8 -1.722 -2.444 6.657 1.00 4.01 O ATOM 120 CB PHE A 8 0.535 -0.680 4.945 1.00 22.22 C ATOM 121 CG PHE A 8 -0.133 -1.458 3.844 1.00 40.43 C ATOM 122 CD1 PHE A 8 -1.085 -0.859 3.037 1.00 33.41 C ATOM 123 CD2 PHE A 8 0.198 -2.785 3.617 1.00 40.14 C ATOM 124 CE1 PHE A 8 -1.697 -1.570 2.022 1.00 73.50 C ATOM 125 CE2 PHE A 8 -0.410 -3.499 2.604 1.00 61.20 C ATOM 126 CZ PHE A 8 -1.358 -2.891 1.805 1.00 2.45 C ATOM 0 H PHE A 8 1.340 0.544 6.908 1.00 61.50 H new ATOM 0 HA PHE A 8 -1.248 -0.059 5.977 1.00 52.21 H new ATOM 0 HB2 PHE A 8 0.773 0.318 4.577 1.00 22.22 H new ATOM 0 HB3 PHE A 8 1.480 -1.162 5.194 1.00 22.22 H new ATOM 0 HD1 PHE A 8 -1.352 0.174 3.202 1.00 33.41 H new ATOM 0 HD2 PHE A 8 0.939 -3.265 4.239 1.00 40.14 H new ATOM 0 HE1 PHE A 8 -2.439 -1.093 1.399 1.00 73.50 H new ATOM 0 HE2 PHE A 8 -0.144 -4.532 2.437 1.00 61.20 H new ATOM 0 HZ PHE A 8 -1.834 -3.448 1.011 1.00 2.45 H new ATOM 136 N TYR A 9 0.390 -2.522 7.433 1.00 5.02 N ATOM 137 CA TYR A 9 0.251 -3.850 8.012 1.00 4.51 C ATOM 138 C TYR A 9 -0.773 -3.841 9.145 1.00 21.54 C ATOM 139 O TYR A 9 -1.649 -4.705 9.207 1.00 2.35 O ATOM 140 CB TYR A 9 1.604 -4.343 8.527 1.00 31.10 C ATOM 141 CG TYR A 9 1.608 -5.801 8.927 1.00 72.01 C ATOM 142 CD1 TYR A 9 1.867 -6.792 7.990 1.00 33.30 C ATOM 143 CD2 TYR A 9 1.352 -6.186 10.237 1.00 24.04 C ATOM 144 CE1 TYR A 9 1.871 -8.124 8.345 1.00 34.44 C ATOM 145 CE2 TYR A 9 1.353 -7.519 10.599 1.00 34.33 C ATOM 146 CZ TYR A 9 1.615 -8.483 9.650 1.00 14.10 C ATOM 147 OH TYR A 9 1.616 -9.813 10.003 1.00 63.02 O ATOM 0 H TYR A 9 1.309 -2.100 7.566 1.00 5.02 H new ATOM 0 HA TYR A 9 -0.102 -4.529 7.236 1.00 4.51 H new ATOM 0 HB2 TYR A 9 2.356 -4.185 7.754 1.00 31.10 H new ATOM 0 HB3 TYR A 9 1.898 -3.739 9.386 1.00 31.10 H new ATOM 0 HD1 TYR A 9 2.069 -6.515 6.966 1.00 33.30 H new ATOM 0 HD2 TYR A 9 1.149 -5.432 10.983 1.00 24.04 H new ATOM 0 HE1 TYR A 9 2.074 -8.883 7.603 1.00 34.44 H new ATOM 0 HE2 TYR A 9 1.149 -7.804 11.621 1.00 34.33 H new ATOM 0 HH TYR A 9 1.419 -9.898 10.959 1.00 63.02 H new ATOM 157 N GLN A 10 -0.650 -2.859 10.035 1.00 73.31 N ATOM 158 CA GLN A 10 -1.571 -2.708 11.159 1.00 23.20 C ATOM 159 C GLN A 10 -2.998 -2.529 10.649 1.00 72.43 C ATOM 160 O GLN A 10 -3.916 -3.235 11.068 1.00 44.41 O ATOM 161 CB GLN A 10 -1.175 -1.492 11.999 1.00 20.15 C ATOM 162 CG GLN A 10 -1.953 -1.359 13.297 1.00 61.31 C ATOM 163 CD GLN A 10 -1.843 0.027 13.897 1.00 65.43 C ATOM 164 OE1 GLN A 10 -2.680 0.895 13.648 1.00 34.20 O ATOM 165 NE2 GLN A 10 -0.801 0.254 14.678 1.00 40.43 N ATOM 0 H GLN A 10 0.084 -2.151 9.999 1.00 73.31 H new ATOM 0 HA GLN A 10 -1.520 -3.606 11.775 1.00 23.20 H new ATOM 0 HB2 GLN A 10 -0.111 -1.553 12.229 1.00 20.15 H new ATOM 0 HB3 GLN A 10 -1.321 -0.590 11.405 1.00 20.15 H new ATOM 0 HG2 GLN A 10 -3.002 -1.590 13.114 1.00 61.31 H new ATOM 0 HG3 GLN A 10 -1.585 -2.093 14.014 1.00 61.31 H new ATOM 0 HE21 GLN A 10 -0.129 -0.491 14.861 1.00 40.43 H new ATOM 0 HE22 GLN A 10 -0.669 1.174 15.098 1.00 40.43 H new ATOM 174 N TRP A 11 -3.157 -1.579 9.732 1.00 23.31 N ATOM 175 CA TRP A 11 -4.447 -1.273 9.121 1.00 4.15 C ATOM 176 C TRP A 11 -5.097 -2.535 8.556 1.00 45.34 C ATOM 177 O TRP A 11 -6.287 -2.785 8.770 1.00 15.41 O ATOM 178 CB TRP A 11 -4.240 -0.224 8.019 1.00 71.14 C ATOM 179 CG TRP A 11 -5.424 -0.003 7.130 1.00 42.32 C ATOM 180 CD1 TRP A 11 -6.558 0.696 7.426 1.00 5.02 C ATOM 181 CD2 TRP A 11 -5.574 -0.466 5.784 1.00 32.50 C ATOM 182 NE1 TRP A 11 -7.411 0.684 6.348 1.00 0.14 N ATOM 183 CE2 TRP A 11 -6.826 -0.019 5.327 1.00 2.34 C ATOM 184 CE3 TRP A 11 -4.769 -1.216 4.922 1.00 71.15 C ATOM 185 CZ2 TRP A 11 -7.291 -0.301 4.046 1.00 11.31 C ATOM 186 CZ3 TRP A 11 -5.231 -1.493 3.651 1.00 31.32 C ATOM 187 CH2 TRP A 11 -6.483 -1.035 3.222 1.00 31.34 C ATOM 0 H TRP A 11 -2.392 -0.997 9.390 1.00 23.31 H new ATOM 0 HA TRP A 11 -5.120 -0.873 9.880 1.00 4.15 H new ATOM 0 HB2 TRP A 11 -3.972 0.724 8.485 1.00 71.14 H new ATOM 0 HB3 TRP A 11 -3.393 -0.527 7.403 1.00 71.14 H new ATOM 0 HD1 TRP A 11 -6.756 1.186 8.368 1.00 5.02 H new ATOM 0 HE1 TRP A 11 -8.330 1.126 6.314 1.00 0.14 H new ATOM 0 HE3 TRP A 11 -3.802 -1.573 5.245 1.00 71.15 H new ATOM 0 HZ2 TRP A 11 -8.258 0.048 3.714 1.00 11.31 H new ATOM 0 HZ3 TRP A 11 -4.617 -2.072 2.977 1.00 31.32 H new ATOM 0 HH2 TRP A 11 -6.817 -1.266 2.221 1.00 31.34 H new ATOM 198 N TYR A 12 -4.304 -3.330 7.855 1.00 23.10 N ATOM 199 CA TYR A 12 -4.787 -4.569 7.272 1.00 54.53 C ATOM 200 C TYR A 12 -5.186 -5.581 8.346 1.00 1.33 C ATOM 201 O TYR A 12 -6.340 -6.014 8.398 1.00 10.22 O ATOM 202 CB TYR A 12 -3.720 -5.176 6.354 1.00 54.54 C ATOM 203 CG TYR A 12 -3.937 -6.646 6.074 1.00 54.05 C ATOM 204 CD1 TYR A 12 -5.101 -7.090 5.463 1.00 53.32 C ATOM 205 CD2 TYR A 12 -2.983 -7.588 6.438 1.00 40.13 C ATOM 206 CE1 TYR A 12 -5.313 -8.431 5.224 1.00 72.33 C ATOM 207 CE2 TYR A 12 -3.185 -8.932 6.198 1.00 61.10 C ATOM 208 CZ TYR A 12 -4.351 -9.348 5.593 1.00 52.02 C ATOM 209 OH TYR A 12 -4.556 -10.685 5.360 1.00 71.52 O ATOM 0 H TYR A 12 -3.319 -3.137 7.676 1.00 23.10 H new ATOM 0 HA TYR A 12 -5.676 -4.332 6.687 1.00 54.53 H new ATOM 0 HB2 TYR A 12 -3.710 -4.631 5.410 1.00 54.54 H new ATOM 0 HB3 TYR A 12 -2.739 -5.041 6.810 1.00 54.54 H new ATOM 0 HD1 TYR A 12 -5.854 -6.373 5.170 1.00 53.32 H new ATOM 0 HD2 TYR A 12 -2.070 -7.264 6.916 1.00 40.13 H new ATOM 0 HE1 TYR A 12 -6.226 -8.761 4.751 1.00 72.33 H new ATOM 0 HE2 TYR A 12 -2.434 -9.654 6.483 1.00 61.10 H new ATOM 0 HH TYR A 12 -4.380 -11.191 6.181 1.00 71.52 H new ATOM 219 N GLU A 13 -4.239 -5.927 9.211 1.00 0.24 N ATOM 220 CA GLU A 13 -4.418 -7.020 10.164 1.00 75.33 C ATOM 221 C GLU A 13 -5.597 -6.771 11.103 1.00 12.43 C ATOM 222 O GLU A 13 -6.341 -7.692 11.440 1.00 14.12 O ATOM 223 CB GLU A 13 -3.140 -7.217 10.981 1.00 72.25 C ATOM 224 CG GLU A 13 -3.191 -8.420 11.906 1.00 13.42 C ATOM 225 CD GLU A 13 -2.003 -8.493 12.840 1.00 63.42 C ATOM 226 OE1 GLU A 13 -2.021 -7.806 13.880 1.00 62.11 O ATOM 227 OE2 GLU A 13 -1.053 -9.243 12.546 1.00 54.41 O ATOM 0 H GLU A 13 -3.333 -5.463 9.273 1.00 0.24 H new ATOM 0 HA GLU A 13 -4.633 -7.922 9.591 1.00 75.33 H new ATOM 0 HB2 GLU A 13 -2.296 -7.328 10.300 1.00 72.25 H new ATOM 0 HB3 GLU A 13 -2.955 -6.321 11.573 1.00 72.25 H new ATOM 0 HG2 GLU A 13 -4.108 -8.381 12.494 1.00 13.42 H new ATOM 0 HG3 GLU A 13 -3.234 -9.330 11.308 1.00 13.42 H new ATOM 234 N VAL A 14 -5.771 -5.525 11.512 1.00 62.10 N ATOM 235 CA VAL A 14 -6.798 -5.177 12.486 1.00 11.42 C ATOM 236 C VAL A 14 -8.200 -5.166 11.867 1.00 63.54 C ATOM 237 O VAL A 14 -9.201 -5.314 12.573 1.00 55.35 O ATOM 238 CB VAL A 14 -6.495 -3.797 13.124 1.00 30.03 C ATOM 239 CG1 VAL A 14 -7.595 -3.362 14.084 1.00 1.33 C ATOM 240 CG2 VAL A 14 -5.158 -3.834 13.847 1.00 64.41 C ATOM 0 H VAL A 14 -5.215 -4.735 11.185 1.00 62.10 H new ATOM 0 HA VAL A 14 -6.781 -5.947 13.258 1.00 11.42 H new ATOM 0 HB VAL A 14 -6.451 -3.066 12.317 1.00 30.03 H new ATOM 0 HG11 VAL A 14 -7.344 -2.390 14.509 1.00 1.33 H new ATOM 0 HG12 VAL A 14 -8.540 -3.289 13.546 1.00 1.33 H new ATOM 0 HG13 VAL A 14 -7.690 -4.095 14.885 1.00 1.33 H new ATOM 0 HG21 VAL A 14 -4.957 -2.859 14.291 1.00 64.41 H new ATOM 0 HG22 VAL A 14 -5.189 -4.590 14.632 1.00 64.41 H new ATOM 0 HG23 VAL A 14 -4.368 -4.080 13.138 1.00 64.41 H new ATOM 250 N ASN A 15 -8.286 -5.025 10.548 1.00 70.21 N ATOM 251 CA ASN A 15 -9.586 -4.790 9.917 1.00 72.21 C ATOM 252 C ASN A 15 -9.928 -5.806 8.832 1.00 62.43 C ATOM 253 O ASN A 15 -10.975 -6.451 8.891 1.00 13.22 O ATOM 254 CB ASN A 15 -9.654 -3.379 9.324 1.00 51.13 C ATOM 255 CG ASN A 15 -9.513 -2.296 10.375 1.00 43.42 C ATOM 256 OD1 ASN A 15 -10.488 -1.913 11.023 1.00 63.21 O ATOM 257 ND2 ASN A 15 -8.303 -1.782 10.537 1.00 1.35 N ATOM 0 H ASN A 15 -7.494 -5.067 9.906 1.00 70.21 H new ATOM 0 HA ASN A 15 -10.323 -4.902 10.712 1.00 72.21 H new ATOM 0 HB2 ASN A 15 -8.865 -3.263 8.581 1.00 51.13 H new ATOM 0 HB3 ASN A 15 -10.603 -3.253 8.804 1.00 51.13 H new ATOM 0 HD21 ASN A 15 -8.152 -1.039 11.220 1.00 1.35 H new ATOM 0 HD22 ASN A 15 -7.523 -2.129 9.979 1.00 1.35 H new ATOM 264 N LYS A 16 -9.047 -5.953 7.851 1.00 15.54 N ATOM 265 CA LYS A 16 -9.377 -6.688 6.629 1.00 54.14 C ATOM 266 C LYS A 16 -9.264 -8.197 6.814 1.00 30.42 C ATOM 267 O LYS A 16 -9.736 -8.960 5.975 1.00 55.45 O ATOM 268 CB LYS A 16 -8.457 -6.256 5.484 1.00 35.01 C ATOM 269 CG LYS A 16 -8.399 -4.755 5.273 1.00 33.33 C ATOM 270 CD LYS A 16 -9.767 -4.179 4.947 1.00 63.54 C ATOM 271 CE LYS A 16 -9.735 -2.662 4.915 1.00 40.23 C ATOM 272 NZ LYS A 16 -11.082 -2.082 4.687 1.00 42.33 N ATOM 0 H LYS A 16 -8.100 -5.575 7.874 1.00 15.54 H new ATOM 0 HA LYS A 16 -10.414 -6.451 6.389 1.00 54.14 H new ATOM 0 HB2 LYS A 16 -7.450 -6.624 5.682 1.00 35.01 H new ATOM 0 HB3 LYS A 16 -8.794 -6.730 4.562 1.00 35.01 H new ATOM 0 HG2 LYS A 16 -8.007 -4.276 6.171 1.00 33.33 H new ATOM 0 HG3 LYS A 16 -7.706 -4.528 4.463 1.00 33.33 H new ATOM 0 HD2 LYS A 16 -10.102 -4.558 3.982 1.00 63.54 H new ATOM 0 HD3 LYS A 16 -10.491 -4.514 5.690 1.00 63.54 H new ATOM 0 HE2 LYS A 16 -9.334 -2.288 5.857 1.00 40.23 H new ATOM 0 HE3 LYS A 16 -9.059 -2.330 4.127 1.00 40.23 H new ATOM 0 HZ1 LYS A 16 -11.015 -1.044 4.672 1.00 42.33 H new ATOM 0 HZ2 LYS A 16 -11.455 -2.418 3.776 1.00 42.33 H new ATOM 0 HZ3 LYS A 16 -11.721 -2.377 5.453 1.00 42.33 H new ATOM 286 N LEU A 17 -8.664 -8.614 7.921 1.00 64.53 N ATOM 287 CA LEU A 17 -8.347 -10.023 8.161 1.00 55.52 C ATOM 288 C LEU A 17 -9.524 -10.974 7.866 1.00 62.03 C ATOM 289 O LEU A 17 -9.377 -11.900 7.070 1.00 32.01 O ATOM 290 CB LEU A 17 -7.861 -10.219 9.597 1.00 53.33 C ATOM 291 CG LEU A 17 -7.385 -11.631 9.927 1.00 23.21 C ATOM 292 CD1 LEU A 17 -6.166 -11.989 9.095 1.00 13.43 C ATOM 293 CD2 LEU A 17 -7.080 -11.750 11.407 1.00 15.40 C ATOM 0 H LEU A 17 -8.383 -7.991 8.678 1.00 64.53 H new ATOM 0 HA LEU A 17 -7.553 -10.284 7.461 1.00 55.52 H new ATOM 0 HB2 LEU A 17 -7.045 -9.522 9.787 1.00 53.33 H new ATOM 0 HB3 LEU A 17 -8.670 -9.955 10.278 1.00 53.33 H new ATOM 0 HG LEU A 17 -8.181 -12.334 9.683 1.00 23.21 H new ATOM 0 HD11 LEU A 17 -5.840 -12.999 9.343 1.00 13.43 H new ATOM 0 HD12 LEU A 17 -6.421 -11.940 8.036 1.00 13.43 H new ATOM 0 HD13 LEU A 17 -5.361 -11.285 9.308 1.00 13.43 H new ATOM 0 HD21 LEU A 17 -6.742 -12.762 11.629 1.00 15.40 H new ATOM 0 HD22 LEU A 17 -6.299 -11.039 11.676 1.00 15.40 H new ATOM 0 HD23 LEU A 17 -7.980 -11.534 11.982 1.00 15.40 H new ATOM 305 N PRO A 18 -10.711 -10.773 8.481 1.00 52.20 N ATOM 306 CA PRO A 18 -11.843 -11.683 8.290 1.00 35.01 C ATOM 307 C PRO A 18 -12.624 -11.426 6.997 1.00 4.45 C ATOM 308 O PRO A 18 -13.682 -12.019 6.772 1.00 24.11 O ATOM 309 CB PRO A 18 -12.719 -11.401 9.507 1.00 52.30 C ATOM 310 CG PRO A 18 -12.463 -9.971 9.834 1.00 10.14 C ATOM 311 CD PRO A 18 -11.045 -9.679 9.418 1.00 70.42 C ATOM 0 HA PRO A 18 -11.512 -12.718 8.201 1.00 35.01 H new ATOM 0 HB2 PRO A 18 -13.772 -11.574 9.285 1.00 52.30 H new ATOM 0 HB3 PRO A 18 -12.458 -12.051 10.342 1.00 52.30 H new ATOM 0 HG2 PRO A 18 -13.162 -9.322 9.307 1.00 10.14 H new ATOM 0 HG3 PRO A 18 -12.599 -9.787 10.900 1.00 10.14 H new ATOM 0 HD2 PRO A 18 -10.963 -8.704 8.938 1.00 70.42 H new ATOM 0 HD3 PRO A 18 -10.372 -9.669 10.275 1.00 70.42 H new ATOM 319 N HIS A 19 -12.103 -10.552 6.147 1.00 33.31 N ATOM 320 CA HIS A 19 -12.796 -10.196 4.910 1.00 11.23 C ATOM 321 C HIS A 19 -11.957 -10.536 3.688 1.00 63.32 C ATOM 322 O HIS A 19 -12.388 -10.329 2.552 1.00 62.04 O ATOM 323 CB HIS A 19 -13.141 -8.704 4.886 1.00 55.13 C ATOM 324 CG HIS A 19 -13.940 -8.246 6.064 1.00 1.44 C ATOM 325 ND1 HIS A 19 -15.291 -8.476 6.153 1.00 51.12 N ATOM 326 CD2 HIS A 19 -13.527 -7.592 7.172 1.00 61.23 C ATOM 327 CE1 HIS A 19 -15.668 -7.957 7.310 1.00 50.42 C ATOM 328 NE2 HIS A 19 -14.631 -7.411 7.960 1.00 44.03 N ATOM 0 H HIS A 19 -11.211 -10.078 6.286 1.00 33.31 H new ATOM 0 HA HIS A 19 -13.716 -10.779 4.879 1.00 11.23 H new ATOM 0 HB2 HIS A 19 -12.216 -8.128 4.841 1.00 55.13 H new ATOM 0 HB3 HIS A 19 -13.698 -8.485 3.975 1.00 55.13 H new ATOM 0 HD2 HIS A 19 -12.519 -7.273 7.393 1.00 61.23 H new ATOM 0 HE1 HIS A 19 -16.681 -7.971 7.683 1.00 50.42 H new ATOM 0 HE2 HIS A 19 -14.659 -6.949 8.869 1.00 44.03 H new ATOM 336 N VAL A 20 -10.763 -11.058 3.914 1.00 23.14 N ATOM 337 CA VAL A 20 -9.859 -11.365 2.818 1.00 51.34 C ATOM 338 C VAL A 20 -9.645 -12.865 2.682 1.00 40.32 C ATOM 339 O VAL A 20 -9.893 -13.627 3.617 1.00 73.21 O ATOM 340 CB VAL A 20 -8.494 -10.667 2.997 1.00 22.34 C ATOM 341 CG1 VAL A 20 -8.672 -9.157 3.052 1.00 2.42 C ATOM 342 CG2 VAL A 20 -7.782 -11.173 4.244 1.00 15.12 C ATOM 0 H VAL A 20 -10.398 -11.277 4.841 1.00 23.14 H new ATOM 0 HA VAL A 20 -10.328 -10.989 1.909 1.00 51.34 H new ATOM 0 HB VAL A 20 -7.872 -10.909 2.135 1.00 22.34 H new ATOM 0 HG11 VAL A 20 -7.700 -8.680 3.179 1.00 2.42 H new ATOM 0 HG12 VAL A 20 -9.128 -8.810 2.125 1.00 2.42 H new ATOM 0 HG13 VAL A 20 -9.316 -8.897 3.892 1.00 2.42 H new ATOM 0 HG21 VAL A 20 -6.823 -10.665 4.347 1.00 15.12 H new ATOM 0 HG22 VAL A 20 -8.396 -10.970 5.121 1.00 15.12 H new ATOM 0 HG23 VAL A 20 -7.617 -12.247 4.158 1.00 15.12 H new ATOM 352 N SER A 21 -9.211 -13.282 1.503 1.00 33.11 N ATOM 353 CA SER A 21 -8.858 -14.670 1.254 1.00 73.10 C ATOM 354 C SER A 21 -7.356 -14.837 1.400 1.00 12.13 C ATOM 355 O SER A 21 -6.643 -13.857 1.616 1.00 51.45 O ATOM 356 CB SER A 21 -9.296 -15.079 -0.153 1.00 14.14 C ATOM 357 OG SER A 21 -8.627 -14.306 -1.140 1.00 24.12 O ATOM 0 H SER A 21 -9.094 -12.670 0.695 1.00 33.11 H new ATOM 0 HA SER A 21 -9.367 -15.309 1.976 1.00 73.10 H new ATOM 0 HB2 SER A 21 -9.085 -16.137 -0.310 1.00 14.14 H new ATOM 0 HB3 SER A 21 -10.374 -14.950 -0.254 1.00 14.14 H new ATOM 0 HG SER A 21 -8.947 -13.381 -1.103 1.00 24.12 H new ATOM 363 N GLU A 22 -6.870 -16.061 1.263 1.00 14.14 N ATOM 364 CA GLU A 22 -5.439 -16.311 1.328 1.00 72.10 C ATOM 365 C GLU A 22 -4.748 -15.644 0.149 1.00 31.10 C ATOM 366 O GLU A 22 -3.608 -15.196 0.253 1.00 42.35 O ATOM 367 CB GLU A 22 -5.158 -17.807 1.320 1.00 23.00 C ATOM 368 CG GLU A 22 -5.846 -18.560 2.441 1.00 61.43 C ATOM 369 CD GLU A 22 -5.484 -18.053 3.824 1.00 72.34 C ATOM 370 OE1 GLU A 22 -4.390 -18.386 4.322 1.00 33.23 O ATOM 371 OE2 GLU A 22 -6.305 -17.335 4.430 1.00 24.42 O ATOM 0 H GLU A 22 -7.441 -16.892 1.107 1.00 14.14 H new ATOM 0 HA GLU A 22 -5.051 -15.892 2.256 1.00 72.10 H new ATOM 0 HB2 GLU A 22 -5.478 -18.223 0.365 1.00 23.00 H new ATOM 0 HB3 GLU A 22 -4.082 -17.966 1.393 1.00 23.00 H new ATOM 0 HG2 GLU A 22 -6.925 -18.487 2.307 1.00 61.43 H new ATOM 0 HG3 GLU A 22 -5.586 -19.616 2.371 1.00 61.43 H new ATOM 378 N SER A 23 -5.456 -15.575 -0.972 1.00 45.33 N ATOM 379 CA SER A 23 -4.962 -14.871 -2.142 1.00 10.33 C ATOM 380 C SER A 23 -4.875 -13.378 -1.836 1.00 1.31 C ATOM 381 O SER A 23 -3.869 -12.733 -2.128 1.00 2.22 O ATOM 382 CB SER A 23 -5.882 -15.126 -3.341 1.00 72.42 C ATOM 383 OG SER A 23 -5.328 -14.615 -4.543 1.00 1.15 O ATOM 0 H SER A 23 -6.375 -16.000 -1.092 1.00 45.33 H new ATOM 0 HA SER A 23 -3.967 -15.239 -2.394 1.00 10.33 H new ATOM 0 HB2 SER A 23 -6.055 -16.197 -3.446 1.00 72.42 H new ATOM 0 HB3 SER A 23 -6.852 -14.663 -3.161 1.00 72.42 H new ATOM 0 HG SER A 23 -5.939 -14.796 -5.288 1.00 1.15 H new ATOM 389 N THR A 24 -5.926 -12.842 -1.215 1.00 4.43 N ATOM 390 CA THR A 24 -5.954 -11.441 -0.827 1.00 12.30 C ATOM 391 C THR A 24 -4.848 -11.149 0.190 1.00 41.01 C ATOM 392 O THR A 24 -4.190 -10.112 0.124 1.00 50.33 O ATOM 393 CB THR A 24 -7.319 -11.052 -0.226 1.00 22.04 C ATOM 394 OG1 THR A 24 -8.383 -11.676 -0.965 1.00 22.44 O ATOM 395 CG2 THR A 24 -7.507 -9.543 -0.253 1.00 30.15 C ATOM 0 H THR A 24 -6.769 -13.363 -0.972 1.00 4.43 H new ATOM 0 HA THR A 24 -5.790 -10.847 -1.726 1.00 12.30 H new ATOM 0 HB THR A 24 -7.344 -11.395 0.808 1.00 22.04 H new ATOM 0 HG1 THR A 24 -9.221 -11.197 -0.799 1.00 22.44 H new ATOM 0 HG21 THR A 24 -8.477 -9.289 0.176 1.00 30.15 H new ATOM 0 HG22 THR A 24 -6.717 -9.068 0.329 1.00 30.15 H new ATOM 0 HG23 THR A 24 -7.462 -9.189 -1.283 1.00 30.15 H new ATOM 403 N LYS A 25 -4.644 -12.083 1.122 1.00 5.24 N ATOM 404 CA LYS A 25 -3.556 -11.984 2.092 1.00 2.33 C ATOM 405 C LYS A 25 -2.224 -11.860 1.376 1.00 51.41 C ATOM 406 O LYS A 25 -1.437 -10.958 1.659 1.00 33.12 O ATOM 407 CB LYS A 25 -3.517 -13.210 3.006 1.00 60.22 C ATOM 408 CG LYS A 25 -4.696 -13.315 3.952 1.00 1.12 C ATOM 409 CD LYS A 25 -4.586 -14.548 4.828 1.00 74.43 C ATOM 410 CE LYS A 25 -5.699 -14.606 5.860 1.00 51.42 C ATOM 411 NZ LYS A 25 -5.686 -15.894 6.600 1.00 30.41 N ATOM 0 H LYS A 25 -5.221 -12.918 1.224 1.00 5.24 H new ATOM 0 HA LYS A 25 -3.735 -11.096 2.699 1.00 2.33 H new ATOM 0 HB2 LYS A 25 -3.479 -14.108 2.390 1.00 60.22 H new ATOM 0 HB3 LYS A 25 -2.597 -13.185 3.590 1.00 60.22 H new ATOM 0 HG2 LYS A 25 -4.744 -12.424 4.578 1.00 1.12 H new ATOM 0 HG3 LYS A 25 -5.623 -13.353 3.380 1.00 1.12 H new ATOM 0 HD2 LYS A 25 -4.621 -15.441 4.205 1.00 74.43 H new ATOM 0 HD3 LYS A 25 -3.620 -14.550 5.334 1.00 74.43 H new ATOM 0 HE2 LYS A 25 -5.589 -13.780 6.563 1.00 51.42 H new ATOM 0 HE3 LYS A 25 -6.662 -14.478 5.366 1.00 51.42 H new ATOM 0 HZ1 LYS A 25 -6.342 -15.838 7.405 1.00 30.41 H new ATOM 0 HZ2 LYS A 25 -5.982 -16.662 5.965 1.00 30.41 H new ATOM 0 HZ3 LYS A 25 -4.725 -16.084 6.949 1.00 30.41 H new ATOM 425 N ARG A 26 -1.983 -12.771 0.437 1.00 64.40 N ATOM 426 CA ARG A 26 -0.755 -12.746 -0.350 1.00 44.20 C ATOM 427 C ARG A 26 -0.604 -11.430 -1.113 1.00 61.23 C ATOM 428 O ARG A 26 0.512 -10.942 -1.295 1.00 54.02 O ATOM 429 CB ARG A 26 -0.700 -13.939 -1.305 1.00 1.52 C ATOM 430 CG ARG A 26 -0.579 -15.268 -0.579 1.00 51.44 C ATOM 431 CD ARG A 26 -0.513 -16.441 -1.539 1.00 71.01 C ATOM 432 NE ARG A 26 -0.357 -17.710 -0.828 1.00 70.22 N ATOM 433 CZ ARG A 26 -0.405 -18.907 -1.412 1.00 14.53 C ATOM 434 NH1 ARG A 26 -0.630 -19.004 -2.717 1.00 21.14 N ATOM 435 NH2 ARG A 26 -0.240 -20.003 -0.684 1.00 42.40 N ATOM 0 H ARG A 26 -2.620 -13.533 0.204 1.00 64.40 H new ATOM 0 HA ARG A 26 0.083 -12.821 0.343 1.00 44.20 H new ATOM 0 HB2 ARG A 26 -1.599 -13.947 -1.921 1.00 1.52 H new ATOM 0 HB3 ARG A 26 0.148 -13.820 -1.980 1.00 1.52 H new ATOM 0 HG2 ARG A 26 0.315 -15.260 0.044 1.00 51.44 H new ATOM 0 HG3 ARG A 26 -1.431 -15.394 0.089 1.00 51.44 H new ATOM 0 HD2 ARG A 26 -1.421 -16.470 -2.142 1.00 71.01 H new ATOM 0 HD3 ARG A 26 0.322 -16.303 -2.226 1.00 71.01 H new ATOM 0 HE ARG A 26 -0.201 -17.676 0.180 1.00 70.22 H new ATOM 0 HH11 ARG A 26 -0.767 -18.161 -3.275 1.00 21.14 H new ATOM 0 HH12 ARG A 26 -0.666 -19.921 -3.161 1.00 21.14 H new ATOM 0 HH21 ARG A 26 -0.077 -19.929 0.320 1.00 42.40 H new ATOM 0 HH22 ARG A 26 -0.276 -20.921 -1.128 1.00 42.40 H new ATOM 449 N HIS A 27 -1.722 -10.852 -1.549 1.00 60.42 N ATOM 450 CA HIS A 27 -1.701 -9.521 -2.153 1.00 23.51 C ATOM 451 C HIS A 27 -1.152 -8.498 -1.165 1.00 50.52 C ATOM 452 O HIS A 27 -0.230 -7.746 -1.483 1.00 71.10 O ATOM 453 CB HIS A 27 -3.097 -9.082 -2.596 1.00 50.32 C ATOM 454 CG HIS A 27 -3.542 -9.633 -3.915 1.00 31.01 C ATOM 455 ND1 HIS A 27 -4.511 -10.539 -4.190 1.00 53.04 N flip ATOM 456 CD2 HIS A 27 -2.996 -9.189 -5.093 1.00 45.32 C flip ATOM 457 CE1 HIS A 27 -4.573 -10.654 -5.557 1.00 71.54 C flip ATOM 458 NE2 HIS A 27 -3.643 -9.825 -6.054 1.00 1.12 N flip ATOM 0 H HIS A 27 -2.646 -11.280 -1.496 1.00 60.42 H new ATOM 0 HA HIS A 27 -1.056 -9.575 -3.030 1.00 23.51 H new ATOM 0 HB2 HIS A 27 -3.815 -9.381 -1.833 1.00 50.32 H new ATOM 0 HB3 HIS A 27 -3.121 -7.993 -2.647 1.00 50.32 H new ATOM 0 HD2 HIS A 27 -2.201 -8.468 -5.211 1.00 45.32 H new ATOM 0 HE1 HIS A 27 -5.240 -11.288 -6.122 1.00 71.54 H new ATOM 0 HE2 HIS A 27 -3.458 -9.701 -7.049 1.00 1.12 H new ATOM 466 N TYR A 28 -1.718 -8.485 0.041 1.00 34.12 N ATOM 467 CA TYR A 28 -1.290 -7.562 1.085 1.00 51.54 C ATOM 468 C TYR A 28 0.171 -7.783 1.452 1.00 63.43 C ATOM 469 O TYR A 28 0.926 -6.827 1.605 1.00 21.15 O ATOM 470 CB TYR A 28 -2.161 -7.707 2.334 1.00 40.24 C ATOM 471 CG TYR A 28 -3.480 -6.970 2.259 1.00 72.33 C ATOM 472 CD1 TYR A 28 -3.561 -5.624 2.594 1.00 23.24 C ATOM 473 CD2 TYR A 28 -4.643 -7.618 1.867 1.00 14.54 C ATOM 474 CE1 TYR A 28 -4.764 -4.945 2.540 1.00 13.53 C ATOM 475 CE2 TYR A 28 -5.849 -6.947 1.810 1.00 33.04 C ATOM 476 CZ TYR A 28 -5.904 -5.611 2.148 1.00 20.34 C ATOM 477 OH TYR A 28 -7.103 -4.940 2.096 1.00 1.33 O ATOM 0 H TYR A 28 -2.477 -9.107 0.318 1.00 34.12 H new ATOM 0 HA TYR A 28 -1.402 -6.552 0.690 1.00 51.54 H new ATOM 0 HB2 TYR A 28 -2.358 -8.765 2.505 1.00 40.24 H new ATOM 0 HB3 TYR A 28 -1.603 -7.343 3.197 1.00 40.24 H new ATOM 0 HD1 TYR A 28 -2.669 -5.099 2.902 1.00 23.24 H new ATOM 0 HD2 TYR A 28 -4.604 -8.664 1.602 1.00 14.54 H new ATOM 0 HE1 TYR A 28 -4.810 -3.899 2.804 1.00 13.53 H new ATOM 0 HE2 TYR A 28 -6.745 -7.466 1.502 1.00 33.04 H new ATOM 0 HH TYR A 28 -7.174 -4.463 1.243 1.00 1.33 H new ATOM 487 N GLU A 29 0.566 -9.044 1.590 1.00 11.04 N ATOM 488 CA GLU A 29 1.951 -9.382 1.910 1.00 41.24 C ATOM 489 C GLU A 29 2.897 -8.889 0.823 1.00 42.10 C ATOM 490 O GLU A 29 3.948 -8.319 1.115 1.00 43.52 O ATOM 491 CB GLU A 29 2.117 -10.889 2.096 1.00 24.41 C ATOM 492 CG GLU A 29 1.442 -11.426 3.347 1.00 42.01 C ATOM 493 CD GLU A 29 1.677 -12.909 3.536 1.00 63.40 C ATOM 494 OE1 GLU A 29 2.727 -13.286 4.102 1.00 61.32 O ATOM 495 OE2 GLU A 29 0.816 -13.709 3.116 1.00 64.11 O ATOM 0 H GLU A 29 -0.051 -9.849 1.486 1.00 11.04 H new ATOM 0 HA GLU A 29 2.203 -8.884 2.846 1.00 41.24 H new ATOM 0 HB2 GLU A 29 1.709 -11.401 1.225 1.00 24.41 H new ATOM 0 HB3 GLU A 29 3.180 -11.127 2.136 1.00 24.41 H new ATOM 0 HG2 GLU A 29 1.815 -10.888 4.218 1.00 42.01 H new ATOM 0 HG3 GLU A 29 0.370 -11.235 3.289 1.00 42.01 H new ATOM 502 N SER A 30 2.514 -9.101 -0.432 1.00 63.50 N ATOM 503 CA SER A 30 3.312 -8.639 -1.560 1.00 32.11 C ATOM 504 C SER A 30 3.424 -7.119 -1.547 1.00 70.42 C ATOM 505 O SER A 30 4.501 -6.561 -1.764 1.00 42.40 O ATOM 506 CB SER A 30 2.697 -9.117 -2.876 1.00 43.40 C ATOM 507 OG SER A 30 2.610 -10.533 -2.912 1.00 74.43 O ATOM 0 H SER A 30 1.657 -9.589 -0.692 1.00 63.50 H new ATOM 0 HA SER A 30 4.314 -9.059 -1.471 1.00 32.11 H new ATOM 0 HB2 SER A 30 1.703 -8.685 -2.995 1.00 43.40 H new ATOM 0 HB3 SER A 30 3.300 -8.765 -3.713 1.00 43.40 H new ATOM 0 HG SER A 30 1.778 -10.821 -2.482 1.00 74.43 H new ATOM 513 N ALA A 31 2.308 -6.456 -1.278 1.00 63.25 N ATOM 514 CA ALA A 31 2.296 -5.010 -1.139 1.00 74.32 C ATOM 515 C ALA A 31 3.229 -4.579 -0.015 1.00 53.30 C ATOM 516 O ALA A 31 4.127 -3.767 -0.216 1.00 1.34 O ATOM 517 CB ALA A 31 0.878 -4.528 -0.865 1.00 40.12 C ATOM 0 H ALA A 31 1.398 -6.899 -1.152 1.00 63.25 H new ATOM 0 HA ALA A 31 2.647 -4.562 -2.069 1.00 74.32 H new ATOM 0 HB1 ALA A 31 0.876 -3.443 -0.762 1.00 40.12 H new ATOM 0 HB2 ALA A 31 0.230 -4.815 -1.693 1.00 40.12 H new ATOM 0 HB3 ALA A 31 0.511 -4.981 0.056 1.00 40.12 H new ATOM 523 N TYR A 32 3.025 -5.171 1.153 1.00 64.43 N ATOM 524 CA TYR A 32 3.790 -4.849 2.351 1.00 1.40 C ATOM 525 C TYR A 32 5.295 -5.018 2.132 1.00 71.21 C ATOM 526 O TYR A 32 6.086 -4.156 2.528 1.00 11.31 O ATOM 527 CB TYR A 32 3.307 -5.738 3.504 1.00 53.11 C ATOM 528 CG TYR A 32 4.052 -5.548 4.806 1.00 12.20 C ATOM 529 CD1 TYR A 32 4.155 -4.296 5.398 1.00 4.13 C ATOM 530 CD2 TYR A 32 4.647 -6.627 5.445 1.00 30.50 C ATOM 531 CE1 TYR A 32 4.833 -4.128 6.591 1.00 25.31 C ATOM 532 CE2 TYR A 32 5.324 -6.466 6.636 1.00 64.31 C ATOM 533 CZ TYR A 32 5.415 -5.215 7.205 1.00 70.13 C ATOM 534 OH TYR A 32 6.095 -5.054 8.390 1.00 13.40 O ATOM 0 H TYR A 32 2.319 -5.893 1.298 1.00 64.43 H new ATOM 0 HA TYR A 32 3.624 -3.800 2.597 1.00 1.40 H new ATOM 0 HB2 TYR A 32 2.248 -5.543 3.676 1.00 53.11 H new ATOM 0 HB3 TYR A 32 3.394 -6.781 3.201 1.00 53.11 H new ATOM 0 HD1 TYR A 32 3.699 -3.442 4.920 1.00 4.13 H new ATOM 0 HD2 TYR A 32 4.579 -7.610 5.002 1.00 30.50 H new ATOM 0 HE1 TYR A 32 4.906 -3.148 7.040 1.00 25.31 H new ATOM 0 HE2 TYR A 32 5.780 -7.317 7.120 1.00 64.31 H new ATOM 0 HH TYR A 32 6.443 -5.920 8.688 1.00 13.40 H new ATOM 544 N LYS A 33 5.696 -6.115 1.499 1.00 21.34 N ATOM 545 CA LYS A 33 7.113 -6.388 1.290 1.00 62.12 C ATOM 546 C LYS A 33 7.719 -5.450 0.242 1.00 61.33 C ATOM 547 O LYS A 33 8.896 -5.096 0.332 1.00 14.04 O ATOM 548 CB LYS A 33 7.349 -7.860 0.917 1.00 71.44 C ATOM 549 CG LYS A 33 6.761 -8.284 -0.417 1.00 65.31 C ATOM 550 CD LYS A 33 6.945 -9.777 -0.643 1.00 74.01 C ATOM 551 CE LYS A 33 6.300 -10.229 -1.940 1.00 32.21 C ATOM 552 NZ LYS A 33 6.391 -11.701 -2.128 1.00 25.53 N ATOM 0 H LYS A 33 5.066 -6.824 1.124 1.00 21.34 H new ATOM 0 HA LYS A 33 7.622 -6.197 2.235 1.00 62.12 H new ATOM 0 HB2 LYS A 33 8.423 -8.048 0.900 1.00 71.44 H new ATOM 0 HB3 LYS A 33 6.927 -8.490 1.700 1.00 71.44 H new ATOM 0 HG2 LYS A 33 5.700 -8.036 -0.446 1.00 65.31 H new ATOM 0 HG3 LYS A 33 7.240 -7.729 -1.223 1.00 65.31 H new ATOM 0 HD2 LYS A 33 8.009 -10.014 -0.663 1.00 74.01 H new ATOM 0 HD3 LYS A 33 6.511 -10.328 0.191 1.00 74.01 H new ATOM 0 HE2 LYS A 33 5.253 -9.927 -1.948 1.00 32.21 H new ATOM 0 HE3 LYS A 33 6.783 -9.727 -2.778 1.00 32.21 H new ATOM 0 HZ1 LYS A 33 5.938 -11.965 -3.026 1.00 25.53 H new ATOM 0 HZ2 LYS A 33 7.391 -11.987 -2.147 1.00 25.53 H new ATOM 0 HZ3 LYS A 33 5.908 -12.182 -1.342 1.00 25.53 H new ATOM 566 N HIS A 34 6.926 -5.038 -0.743 1.00 71.30 N ATOM 567 CA HIS A 34 7.394 -4.065 -1.729 1.00 1.41 C ATOM 568 C HIS A 34 7.419 -2.663 -1.126 1.00 63.13 C ATOM 569 O HIS A 34 8.275 -1.842 -1.468 1.00 74.33 O ATOM 570 CB HIS A 34 6.525 -4.083 -2.991 1.00 22.32 C ATOM 571 CG HIS A 34 6.897 -5.152 -3.976 1.00 74.13 C ATOM 572 ND1 HIS A 34 7.961 -5.053 -4.847 1.00 4.14 N ATOM 573 CD2 HIS A 34 6.317 -6.352 -4.234 1.00 43.03 C ATOM 574 CE1 HIS A 34 7.991 -6.163 -5.592 1.00 70.51 C ATOM 575 NE2 HIS A 34 7.015 -6.989 -5.258 1.00 71.25 N ATOM 0 H HIS A 34 5.967 -5.357 -0.881 1.00 71.30 H new ATOM 0 HA HIS A 34 8.408 -4.346 -2.015 1.00 1.41 H new ATOM 0 HB2 HIS A 34 5.483 -4.219 -2.700 1.00 22.32 H new ATOM 0 HB3 HIS A 34 6.595 -3.112 -3.481 1.00 22.32 H new ATOM 0 HD2 HIS A 34 5.451 -6.750 -3.726 1.00 43.03 H new ATOM 0 HE1 HIS A 34 8.718 -6.359 -6.366 1.00 70.51 H new ATOM 0 HE2 HIS A 34 6.814 -7.903 -5.665 1.00 71.25 H new ATOM 583 N ILE A 35 6.480 -2.394 -0.225 1.00 1.21 N ATOM 584 CA ILE A 35 6.443 -1.118 0.478 1.00 44.12 C ATOM 585 C ILE A 35 7.693 -0.936 1.329 1.00 63.13 C ATOM 586 O ILE A 35 8.379 0.076 1.214 1.00 2.51 O ATOM 587 CB ILE A 35 5.188 -0.984 1.372 1.00 34.33 C ATOM 588 CG1 ILE A 35 3.934 -0.838 0.505 1.00 21.35 C ATOM 589 CG2 ILE A 35 5.328 0.203 2.317 1.00 32.23 C ATOM 590 CD1 ILE A 35 2.648 -0.760 1.299 1.00 14.04 C ATOM 0 H ILE A 35 5.736 -3.042 0.035 1.00 1.21 H new ATOM 0 HA ILE A 35 6.403 -0.339 -0.283 1.00 44.12 H new ATOM 0 HB ILE A 35 5.091 -1.888 1.973 1.00 34.33 H new ATOM 0 HG12 ILE A 35 4.028 0.060 -0.105 1.00 21.35 H new ATOM 0 HG13 ILE A 35 3.877 -1.684 -0.180 1.00 21.35 H new ATOM 0 HG21 ILE A 35 4.435 0.281 2.938 1.00 32.23 H new ATOM 0 HG22 ILE A 35 6.201 0.060 2.953 1.00 32.23 H new ATOM 0 HG23 ILE A 35 5.447 1.118 1.737 1.00 32.23 H new ATOM 0 HD11 ILE A 35 1.805 -0.658 0.616 1.00 14.04 H new ATOM 0 HD12 ILE A 35 2.529 -1.669 1.889 1.00 14.04 H new ATOM 0 HD13 ILE A 35 2.683 0.103 1.964 1.00 14.04 H new ATOM 602 N LYS A 36 8.006 -1.928 2.157 1.00 10.44 N ATOM 603 CA LYS A 36 9.190 -1.858 3.008 1.00 1.51 C ATOM 604 C LYS A 36 10.463 -1.855 2.166 1.00 73.52 C ATOM 605 O LYS A 36 11.493 -1.334 2.589 1.00 74.13 O ATOM 606 CB LYS A 36 9.217 -3.009 4.023 1.00 32.14 C ATOM 607 CG LYS A 36 9.321 -4.391 3.405 1.00 4.50 C ATOM 608 CD LYS A 36 9.554 -5.463 4.462 1.00 51.25 C ATOM 609 CE LYS A 36 8.451 -5.478 5.510 1.00 42.44 C ATOM 610 NZ LYS A 36 8.709 -6.480 6.580 1.00 10.11 N ATOM 0 H LYS A 36 7.461 -2.784 2.257 1.00 10.44 H new ATOM 0 HA LYS A 36 9.142 -0.922 3.565 1.00 1.51 H new ATOM 0 HB2 LYS A 36 10.061 -2.862 4.697 1.00 32.14 H new ATOM 0 HB3 LYS A 36 8.312 -2.963 4.629 1.00 32.14 H new ATOM 0 HG2 LYS A 36 8.406 -4.614 2.856 1.00 4.50 H new ATOM 0 HG3 LYS A 36 10.138 -4.407 2.684 1.00 4.50 H new ATOM 0 HD2 LYS A 36 9.611 -6.440 3.982 1.00 51.25 H new ATOM 0 HD3 LYS A 36 10.514 -5.290 4.948 1.00 51.25 H new ATOM 0 HE2 LYS A 36 8.361 -4.487 5.956 1.00 42.44 H new ATOM 0 HE3 LYS A 36 7.498 -5.699 5.029 1.00 42.44 H new ATOM 0 HZ1 LYS A 36 7.804 -6.817 6.965 1.00 10.11 H new ATOM 0 HZ2 LYS A 36 9.237 -7.283 6.183 1.00 10.11 H new ATOM 0 HZ3 LYS A 36 9.267 -6.041 7.340 1.00 10.11 H new ATOM 624 N ASP A 37 10.385 -2.454 0.980 1.00 11.40 N ATOM 625 CA ASP A 37 11.502 -2.461 0.040 1.00 64.40 C ATOM 626 C ASP A 37 11.915 -1.037 -0.320 1.00 11.54 C ATOM 627 O ASP A 37 13.099 -0.699 -0.305 1.00 21.20 O ATOM 628 CB ASP A 37 11.121 -3.230 -1.230 1.00 31.34 C ATOM 629 CG ASP A 37 12.172 -3.134 -2.322 1.00 40.32 C ATOM 630 OD1 ASP A 37 13.105 -3.960 -2.329 1.00 53.21 O ATOM 631 OD2 ASP A 37 12.057 -2.245 -3.193 1.00 53.40 O ATOM 0 H ASP A 37 9.555 -2.943 0.646 1.00 11.40 H new ATOM 0 HA ASP A 37 12.347 -2.957 0.518 1.00 64.40 H new ATOM 0 HB2 ASP A 37 10.961 -4.279 -0.979 1.00 31.34 H new ATOM 0 HB3 ASP A 37 10.174 -2.846 -1.610 1.00 31.34 H new ATOM 636 N HIS A 38 10.932 -0.213 -0.654 1.00 63.11 N ATOM 637 CA HIS A 38 11.193 1.175 -1.020 1.00 3.34 C ATOM 638 C HIS A 38 11.233 2.085 0.207 1.00 63.01 C ATOM 639 O HIS A 38 12.141 2.900 0.362 1.00 3.54 O ATOM 640 CB HIS A 38 10.138 1.684 -2.010 1.00 12.11 C ATOM 641 CG HIS A 38 10.352 1.221 -3.421 1.00 4.11 C ATOM 642 ND1 HIS A 38 10.873 2.034 -4.403 1.00 71.23 N ATOM 643 CD2 HIS A 38 10.104 0.031 -4.015 1.00 23.02 C ATOM 644 CE1 HIS A 38 10.935 1.369 -5.539 1.00 75.32 C ATOM 645 NE2 HIS A 38 10.475 0.149 -5.334 1.00 53.44 N ATOM 0 H HIS A 38 9.948 -0.479 -0.680 1.00 63.11 H new ATOM 0 HA HIS A 38 12.173 1.203 -1.496 1.00 3.34 H new ATOM 0 HB2 HIS A 38 9.153 1.356 -1.676 1.00 12.11 H new ATOM 0 HB3 HIS A 38 10.134 2.774 -1.993 1.00 12.11 H new ATOM 0 HD2 HIS A 38 9.692 -0.848 -3.542 1.00 23.02 H new ATOM 0 HE1 HIS A 38 11.300 1.757 -6.479 1.00 75.32 H new ATOM 0 HE2 HIS A 38 10.406 -0.586 -6.038 1.00 53.44 H new ATOM 654 N PHE A 39 10.254 1.933 1.082 1.00 2.25 N ATOM 655 CA PHE A 39 10.097 2.824 2.220 1.00 53.35 C ATOM 656 C PHE A 39 10.682 2.218 3.491 1.00 4.35 C ATOM 657 O PHE A 39 9.960 1.892 4.436 1.00 31.23 O ATOM 658 CB PHE A 39 8.617 3.166 2.413 1.00 5.30 C ATOM 659 CG PHE A 39 8.015 3.848 1.221 1.00 51.33 C ATOM 660 CD1 PHE A 39 8.357 5.152 0.918 1.00 71.44 C ATOM 661 CD2 PHE A 39 7.115 3.188 0.400 1.00 31.43 C ATOM 662 CE1 PHE A 39 7.816 5.790 -0.176 1.00 74.02 C ATOM 663 CE2 PHE A 39 6.568 3.822 -0.700 1.00 25.04 C ATOM 664 CZ PHE A 39 6.918 5.126 -0.987 1.00 31.45 C ATOM 0 H PHE A 39 9.551 1.196 1.026 1.00 2.25 H new ATOM 0 HA PHE A 39 10.650 3.740 2.014 1.00 53.35 H new ATOM 0 HB2 PHE A 39 8.062 2.251 2.620 1.00 5.30 H new ATOM 0 HB3 PHE A 39 8.509 3.809 3.286 1.00 5.30 H new ATOM 0 HD1 PHE A 39 9.059 5.678 1.548 1.00 71.44 H new ATOM 0 HD2 PHE A 39 6.838 2.168 0.622 1.00 31.43 H new ATOM 0 HE1 PHE A 39 8.094 6.809 -0.399 1.00 74.02 H new ATOM 0 HE2 PHE A 39 5.868 3.298 -1.334 1.00 25.04 H new ATOM 0 HZ PHE A 39 6.490 5.625 -1.844 1.00 31.45 H new ATOM 674 N ARG A 40 11.995 2.072 3.505 1.00 2.11 N ATOM 675 CA ARG A 40 12.697 1.544 4.664 1.00 54.12 C ATOM 676 C ARG A 40 12.697 2.561 5.802 1.00 51.43 C ATOM 677 O ARG A 40 13.262 3.649 5.668 1.00 1.12 O ATOM 678 CB ARG A 40 14.135 1.194 4.295 1.00 73.24 C ATOM 679 CG ARG A 40 14.258 0.108 3.239 1.00 75.43 C ATOM 680 CD ARG A 40 15.710 -0.135 2.867 1.00 44.01 C ATOM 681 NE ARG A 40 16.525 -0.446 4.039 1.00 54.42 N ATOM 682 CZ ARG A 40 17.774 -0.019 4.211 1.00 54.11 C ATOM 683 NH1 ARG A 40 18.349 0.761 3.305 1.00 52.12 N ATOM 684 NH2 ARG A 40 18.445 -0.359 5.302 1.00 43.01 N ATOM 0 H ARG A 40 12.601 2.313 2.721 1.00 2.11 H new ATOM 0 HA ARG A 40 12.179 0.643 4.994 1.00 54.12 H new ATOM 0 HB2 ARG A 40 14.636 2.093 3.936 1.00 73.24 H new ATOM 0 HB3 ARG A 40 14.662 0.873 5.194 1.00 73.24 H new ATOM 0 HG2 ARG A 40 13.816 -0.816 3.611 1.00 75.43 H new ATOM 0 HG3 ARG A 40 13.696 0.396 2.351 1.00 75.43 H new ATOM 0 HD2 ARG A 40 15.770 -0.957 2.154 1.00 44.01 H new ATOM 0 HD3 ARG A 40 16.111 0.748 2.370 1.00 44.01 H new ATOM 0 HE ARG A 40 16.112 -1.025 4.770 1.00 54.42 H new ATOM 0 HH11 ARG A 40 17.834 1.038 2.469 1.00 52.12 H new ATOM 0 HH12 ARG A 40 19.306 1.084 3.444 1.00 52.12 H new ATOM 0 HH21 ARG A 40 18.004 -0.947 6.009 1.00 43.01 H new ATOM 0 HH22 ARG A 40 19.402 -0.032 5.435 1.00 43.01 H new ATOM 698 N HIS A 41 12.039 2.206 6.909 1.00 34.10 N ATOM 699 CA HIS A 41 11.980 3.057 8.108 1.00 40.24 C ATOM 700 C HIS A 41 11.309 4.395 7.804 1.00 74.51 C ATOM 701 O HIS A 41 11.451 5.358 8.558 1.00 53.12 O ATOM 702 CB HIS A 41 13.385 3.322 8.673 1.00 1.42 C ATOM 703 CG HIS A 41 14.147 2.092 9.066 1.00 32.42 C ATOM 704 ND1 HIS A 41 15.523 2.036 9.064 1.00 43.42 N ATOM 705 CD2 HIS A 41 13.725 0.871 9.482 1.00 34.31 C ATOM 706 CE1 HIS A 41 15.917 0.842 9.459 1.00 23.23 C ATOM 707 NE2 HIS A 41 14.846 0.116 9.720 1.00 14.22 N ATOM 0 H HIS A 41 11.533 1.325 7.003 1.00 34.10 H new ATOM 0 HA HIS A 41 11.390 2.518 8.849 1.00 40.24 H new ATOM 0 HB2 HIS A 41 13.964 3.868 7.928 1.00 1.42 H new ATOM 0 HB3 HIS A 41 13.294 3.970 9.545 1.00 1.42 H new ATOM 0 HD2 HIS A 41 12.700 0.553 9.603 1.00 34.31 H new ATOM 0 HE1 HIS A 41 16.942 0.514 9.553 1.00 23.23 H new ATOM 0 HE2 HIS A 41 14.851 -0.850 10.046 1.00 14.22 H new ATOM 716 N LYS A 42 10.563 4.446 6.714 1.00 63.14 N ATOM 717 CA LYS A 42 10.023 5.701 6.225 1.00 12.25 C ATOM 718 C LYS A 42 8.612 5.944 6.762 1.00 43.51 C ATOM 719 O LYS A 42 7.685 5.174 6.492 1.00 51.03 O ATOM 720 CB LYS A 42 10.054 5.701 4.691 1.00 12.51 C ATOM 721 CG LYS A 42 9.642 7.015 4.044 1.00 10.21 C ATOM 722 CD LYS A 42 10.279 7.185 2.668 1.00 64.10 C ATOM 723 CE LYS A 42 11.691 7.760 2.746 1.00 41.24 C ATOM 724 NZ LYS A 42 12.651 6.860 3.441 1.00 52.21 N ATOM 0 H LYS A 42 10.318 3.632 6.151 1.00 63.14 H new ATOM 0 HA LYS A 42 10.640 6.523 6.588 1.00 12.25 H new ATOM 0 HB2 LYS A 42 11.063 5.451 4.362 1.00 12.51 H new ATOM 0 HB3 LYS A 42 9.396 4.912 4.328 1.00 12.51 H new ATOM 0 HG2 LYS A 42 8.557 7.051 3.951 1.00 10.21 H new ATOM 0 HG3 LYS A 42 9.934 7.846 4.687 1.00 10.21 H new ATOM 0 HD2 LYS A 42 10.311 6.219 2.164 1.00 64.10 H new ATOM 0 HD3 LYS A 42 9.656 7.841 2.061 1.00 64.10 H new ATOM 0 HE2 LYS A 42 12.053 7.957 1.737 1.00 41.24 H new ATOM 0 HE3 LYS A 42 11.659 8.718 3.266 1.00 41.24 H new ATOM 0 HZ1 LYS A 42 13.623 7.182 3.259 1.00 52.21 H new ATOM 0 HZ2 LYS A 42 12.466 6.878 4.464 1.00 52.21 H new ATOM 0 HZ3 LYS A 42 12.536 5.889 3.086 1.00 52.21 H new ATOM 738 N LEU A 43 8.478 7.008 7.553 1.00 15.22 N ATOM 739 CA LEU A 43 7.187 7.428 8.091 1.00 74.34 C ATOM 740 C LEU A 43 6.238 7.763 6.952 1.00 11.44 C ATOM 741 O LEU A 43 6.666 8.297 5.932 1.00 60.24 O ATOM 742 CB LEU A 43 7.363 8.662 8.981 1.00 2.02 C ATOM 743 CG LEU A 43 8.274 8.479 10.196 1.00 25.15 C ATOM 744 CD1 LEU A 43 8.599 9.824 10.822 1.00 31.41 C ATOM 745 CD2 LEU A 43 7.616 7.571 11.220 1.00 14.52 C ATOM 0 H LEU A 43 9.258 7.600 7.837 1.00 15.22 H new ATOM 0 HA LEU A 43 6.773 6.612 8.684 1.00 74.34 H new ATOM 0 HB2 LEU A 43 7.760 9.473 8.371 1.00 2.02 H new ATOM 0 HB3 LEU A 43 6.380 8.978 9.331 1.00 2.02 H new ATOM 0 HG LEU A 43 9.202 8.015 9.863 1.00 25.15 H new ATOM 0 HD11 LEU A 43 9.248 9.676 11.685 1.00 31.41 H new ATOM 0 HD12 LEU A 43 9.106 10.453 10.090 1.00 31.41 H new ATOM 0 HD13 LEU A 43 7.677 10.310 11.141 1.00 31.41 H new ATOM 0 HD21 LEU A 43 8.277 7.451 12.078 1.00 14.52 H new ATOM 0 HD22 LEU A 43 6.674 8.013 11.546 1.00 14.52 H new ATOM 0 HD23 LEU A 43 7.423 6.596 10.772 1.00 14.52 H new ATOM 757 N LEU A 44 4.951 7.486 7.132 1.00 41.04 N ATOM 758 CA LEU A 44 3.976 7.671 6.055 1.00 33.14 C ATOM 759 C LEU A 44 3.802 9.151 5.714 1.00 34.00 C ATOM 760 O LEU A 44 3.256 9.496 4.669 1.00 71.24 O ATOM 761 CB LEU A 44 2.618 7.039 6.407 1.00 52.32 C ATOM 762 CG LEU A 44 1.746 7.808 7.405 1.00 14.43 C ATOM 763 CD1 LEU A 44 0.358 7.193 7.470 1.00 62.10 C ATOM 764 CD2 LEU A 44 2.377 7.821 8.788 1.00 74.52 C ATOM 0 H LEU A 44 4.558 7.135 8.005 1.00 41.04 H new ATOM 0 HA LEU A 44 4.368 7.160 5.176 1.00 33.14 H new ATOM 0 HB2 LEU A 44 2.051 6.912 5.485 1.00 52.32 H new ATOM 0 HB3 LEU A 44 2.799 6.042 6.809 1.00 52.32 H new ATOM 0 HG LEU A 44 1.665 8.839 7.059 1.00 14.43 H new ATOM 0 HD11 LEU A 44 -0.253 7.748 8.182 1.00 62.10 H new ATOM 0 HD12 LEU A 44 -0.105 7.236 6.484 1.00 62.10 H new ATOM 0 HD13 LEU A 44 0.435 6.154 7.790 1.00 62.10 H new ATOM 0 HD21 LEU A 44 1.736 8.374 9.475 1.00 74.52 H new ATOM 0 HD22 LEU A 44 2.494 6.798 9.144 1.00 74.52 H new ATOM 0 HD23 LEU A 44 3.354 8.301 8.738 1.00 74.52 H new ATOM 776 N LYS A 45 4.285 10.021 6.593 1.00 5.54 N ATOM 777 CA LYS A 45 4.249 11.458 6.350 1.00 51.34 C ATOM 778 C LYS A 45 5.329 11.863 5.348 1.00 4.40 C ATOM 779 O LYS A 45 5.292 12.957 4.787 1.00 74.20 O ATOM 780 CB LYS A 45 4.405 12.232 7.673 1.00 53.20 C ATOM 781 CG LYS A 45 5.605 11.815 8.529 1.00 64.45 C ATOM 782 CD LYS A 45 6.923 12.392 8.018 1.00 45.00 C ATOM 783 CE LYS A 45 6.948 13.915 8.089 1.00 31.15 C ATOM 784 NZ LYS A 45 7.008 14.414 9.487 1.00 41.42 N ATOM 0 H LYS A 45 4.707 9.755 7.483 1.00 5.54 H new ATOM 0 HA LYS A 45 3.280 11.712 5.920 1.00 51.34 H new ATOM 0 HB2 LYS A 45 4.491 13.295 7.447 1.00 53.20 H new ATOM 0 HB3 LYS A 45 3.496 12.104 8.261 1.00 53.20 H new ATOM 0 HG2 LYS A 45 5.444 12.142 9.556 1.00 64.45 H new ATOM 0 HG3 LYS A 45 5.672 10.727 8.547 1.00 64.45 H new ATOM 0 HD2 LYS A 45 7.747 11.988 8.606 1.00 45.00 H new ATOM 0 HD3 LYS A 45 7.082 12.075 6.987 1.00 45.00 H new ATOM 0 HE2 LYS A 45 7.810 14.288 7.535 1.00 31.15 H new ATOM 0 HE3 LYS A 45 6.059 14.314 7.601 1.00 31.15 H new ATOM 0 HZ1 LYS A 45 7.091 15.451 9.482 1.00 41.42 H new ATOM 0 HZ2 LYS A 45 6.141 14.139 9.991 1.00 41.42 H new ATOM 0 HZ3 LYS A 45 7.834 14.002 9.967 1.00 41.42 H new ATOM 798 N ASP A 46 6.286 10.967 5.126 1.00 75.40 N ATOM 799 CA ASP A 46 7.407 11.243 4.236 1.00 62.01 C ATOM 800 C ASP A 46 7.113 10.701 2.839 1.00 33.25 C ATOM 801 O ASP A 46 7.877 10.913 1.897 1.00 24.43 O ATOM 802 CB ASP A 46 8.693 10.622 4.802 1.00 15.11 C ATOM 803 CG ASP A 46 9.956 11.186 4.174 1.00 25.14 C ATOM 804 OD1 ASP A 46 10.389 12.283 4.586 1.00 63.51 O ATOM 805 OD2 ASP A 46 10.537 10.530 3.286 1.00 64.24 O ATOM 0 H ASP A 46 6.307 10.041 5.552 1.00 75.40 H new ATOM 0 HA ASP A 46 7.548 12.321 4.163 1.00 62.01 H new ATOM 0 HB2 ASP A 46 8.725 10.787 5.879 1.00 15.11 H new ATOM 0 HB3 ASP A 46 8.667 9.544 4.646 1.00 15.11 H new ATOM 810 N ILE A 47 5.990 10.004 2.710 1.00 53.24 N ATOM 811 CA ILE A 47 5.555 9.491 1.419 1.00 22.33 C ATOM 812 C ILE A 47 4.788 10.570 0.672 1.00 60.33 C ATOM 813 O ILE A 47 3.639 10.873 0.995 1.00 44.40 O ATOM 814 CB ILE A 47 4.665 8.220 1.543 1.00 71.13 C ATOM 815 CG1 ILE A 47 5.495 6.984 1.912 1.00 23.44 C ATOM 816 CG2 ILE A 47 3.914 7.951 0.244 1.00 40.05 C ATOM 817 CD1 ILE A 47 6.085 7.011 3.298 1.00 13.43 C ATOM 0 H ILE A 47 5.365 9.782 3.485 1.00 53.24 H new ATOM 0 HA ILE A 47 6.453 9.207 0.870 1.00 22.33 H new ATOM 0 HB ILE A 47 3.948 8.411 2.342 1.00 71.13 H new ATOM 0 HG12 ILE A 47 4.865 6.099 1.817 1.00 23.44 H new ATOM 0 HG13 ILE A 47 6.304 6.878 1.190 1.00 23.44 H new ATOM 0 HG21 ILE A 47 3.300 7.058 0.357 1.00 40.05 H new ATOM 0 HG22 ILE A 47 3.276 8.803 0.010 1.00 40.05 H new ATOM 0 HG23 ILE A 47 4.629 7.800 -0.565 1.00 40.05 H new ATOM 0 HD11 ILE A 47 6.654 6.097 3.469 1.00 13.43 H new ATOM 0 HD12 ILE A 47 6.745 7.873 3.396 1.00 13.43 H new ATOM 0 HD13 ILE A 47 5.284 7.082 4.033 1.00 13.43 H new ATOM 829 N LYS A 48 5.440 11.180 -0.298 1.00 73.42 N ATOM 830 CA LYS A 48 4.773 12.136 -1.153 1.00 34.24 C ATOM 831 C LYS A 48 4.296 11.435 -2.416 1.00 51.30 C ATOM 832 O LYS A 48 4.891 10.448 -2.850 1.00 34.51 O ATOM 833 CB LYS A 48 5.689 13.322 -1.477 1.00 42.25 C ATOM 834 CG LYS A 48 6.065 14.135 -0.243 1.00 55.25 C ATOM 835 CD LYS A 48 6.762 15.447 -0.588 1.00 21.32 C ATOM 836 CE LYS A 48 8.241 15.267 -0.921 1.00 41.12 C ATOM 837 NZ LYS A 48 8.458 14.645 -2.255 1.00 22.51 N ATOM 0 H LYS A 48 6.426 11.030 -0.512 1.00 73.42 H new ATOM 0 HA LYS A 48 3.907 12.541 -0.630 1.00 34.24 H new ATOM 0 HB2 LYS A 48 6.597 12.954 -1.954 1.00 42.25 H new ATOM 0 HB3 LYS A 48 5.192 13.972 -2.197 1.00 42.25 H new ATOM 0 HG2 LYS A 48 5.165 14.348 0.334 1.00 55.25 H new ATOM 0 HG3 LYS A 48 6.718 13.539 0.394 1.00 55.25 H new ATOM 0 HD2 LYS A 48 6.257 15.908 -1.437 1.00 21.32 H new ATOM 0 HD3 LYS A 48 6.665 16.135 0.252 1.00 21.32 H new ATOM 0 HE2 LYS A 48 8.736 16.238 -0.892 1.00 41.12 H new ATOM 0 HE3 LYS A 48 8.709 14.648 -0.156 1.00 41.12 H new ATOM 0 HZ1 LYS A 48 9.292 15.072 -2.706 1.00 22.51 H new ATOM 0 HZ2 LYS A 48 8.611 13.623 -2.141 1.00 22.51 H new ATOM 0 HZ3 LYS A 48 7.622 14.805 -2.853 1.00 22.51 H new ATOM 851 N ARG A 49 3.210 11.942 -2.988 1.00 32.21 N ATOM 852 CA ARG A 49 2.555 11.315 -4.138 1.00 23.34 C ATOM 853 C ARG A 49 3.505 11.122 -5.320 1.00 30.32 C ATOM 854 O ARG A 49 3.301 10.240 -6.151 1.00 70.10 O ATOM 855 CB ARG A 49 1.343 12.150 -4.557 1.00 22.01 C ATOM 856 CG ARG A 49 1.622 13.639 -4.652 1.00 65.10 C ATOM 857 CD ARG A 49 0.343 14.427 -4.878 1.00 25.41 C ATOM 858 NE ARG A 49 -0.655 14.171 -3.836 1.00 3.34 N ATOM 859 CZ ARG A 49 -1.257 15.128 -3.135 1.00 5.23 C ATOM 860 NH1 ARG A 49 -0.937 16.398 -3.332 1.00 61.24 N ATOM 861 NH2 ARG A 49 -2.182 14.811 -2.240 1.00 41.15 N ATOM 0 H ARG A 49 2.756 12.799 -2.671 1.00 32.21 H new ATOM 0 HA ARG A 49 2.230 10.321 -3.831 1.00 23.34 H new ATOM 0 HB2 ARG A 49 0.987 11.795 -5.524 1.00 22.01 H new ATOM 0 HB3 ARG A 49 0.537 11.987 -3.841 1.00 22.01 H new ATOM 0 HG2 ARG A 49 2.105 13.980 -3.736 1.00 65.10 H new ATOM 0 HG3 ARG A 49 2.318 13.829 -5.469 1.00 65.10 H new ATOM 0 HD2 ARG A 49 0.574 15.492 -4.904 1.00 25.41 H new ATOM 0 HD3 ARG A 49 -0.075 14.168 -5.851 1.00 25.41 H new ATOM 0 HE ARG A 49 -0.903 13.202 -3.636 1.00 3.34 H new ATOM 0 HH11 ARG A 49 -0.228 16.644 -4.022 1.00 61.24 H new ATOM 0 HH12 ARG A 49 -1.400 17.130 -2.793 1.00 61.24 H new ATOM 0 HH21 ARG A 49 -2.432 13.834 -2.089 1.00 41.15 H new ATOM 0 HH22 ARG A 49 -2.644 15.544 -1.702 1.00 41.15 H new ATOM 875 N THR A 50 4.543 11.935 -5.378 1.00 1.31 N ATOM 876 CA THR A 50 5.529 11.840 -6.436 1.00 35.14 C ATOM 877 C THR A 50 6.377 10.577 -6.296 1.00 52.10 C ATOM 878 O THR A 50 6.690 9.916 -7.286 1.00 35.04 O ATOM 879 CB THR A 50 6.426 13.083 -6.441 1.00 24.03 C ATOM 880 OG1 THR A 50 6.843 13.387 -5.100 1.00 61.42 O ATOM 881 CG2 THR A 50 5.673 14.265 -7.035 1.00 25.15 C ATOM 0 H THR A 50 4.725 12.674 -4.699 1.00 1.31 H new ATOM 0 HA THR A 50 4.996 11.782 -7.385 1.00 35.14 H new ATOM 0 HB THR A 50 7.308 12.885 -7.051 1.00 24.03 H new ATOM 0 HG1 THR A 50 7.798 13.192 -5.002 1.00 61.42 H new ATOM 0 HG21 THR A 50 6.317 15.144 -7.035 1.00 25.15 H new ATOM 0 HG22 THR A 50 5.378 14.032 -8.058 1.00 25.15 H new ATOM 0 HG23 THR A 50 4.784 14.467 -6.438 1.00 25.15 H new ATOM 889 N GLU A 51 6.728 10.237 -5.060 1.00 31.23 N ATOM 890 CA GLU A 51 7.489 9.024 -4.786 1.00 24.05 C ATOM 891 C GLU A 51 6.576 7.811 -4.882 1.00 12.53 C ATOM 892 O GLU A 51 7.000 6.723 -5.273 1.00 14.23 O ATOM 893 CB GLU A 51 8.141 9.070 -3.398 1.00 41.04 C ATOM 894 CG GLU A 51 9.309 10.039 -3.284 1.00 35.42 C ATOM 895 CD GLU A 51 8.892 11.491 -3.366 1.00 23.31 C ATOM 896 OE1 GLU A 51 8.357 12.015 -2.369 1.00 40.41 O ATOM 897 OE2 GLU A 51 9.096 12.116 -4.427 1.00 4.15 O ATOM 0 H GLU A 51 6.497 10.785 -4.232 1.00 31.23 H new ATOM 0 HA GLU A 51 8.282 8.950 -5.530 1.00 24.05 H new ATOM 0 HB2 GLU A 51 7.384 9.344 -2.663 1.00 41.04 H new ATOM 0 HB3 GLU A 51 8.488 8.070 -3.140 1.00 41.04 H new ATOM 0 HG2 GLU A 51 9.822 9.869 -2.338 1.00 35.42 H new ATOM 0 HG3 GLU A 51 10.026 9.829 -4.078 1.00 35.42 H new ATOM 904 N TYR A 52 5.317 8.014 -4.524 1.00 2.51 N ATOM 905 CA TYR A 52 4.310 6.971 -4.613 1.00 2.34 C ATOM 906 C TYR A 52 4.150 6.503 -6.056 1.00 23.12 C ATOM 907 O TYR A 52 4.013 5.307 -6.322 1.00 55.34 O ATOM 908 CB TYR A 52 2.977 7.481 -4.062 1.00 20.44 C ATOM 909 CG TYR A 52 1.846 6.494 -4.197 1.00 23.52 C ATOM 910 CD1 TYR A 52 1.921 5.243 -3.603 1.00 50.43 C ATOM 911 CD2 TYR A 52 0.702 6.814 -4.912 1.00 13.54 C ATOM 912 CE1 TYR A 52 0.888 4.339 -3.721 1.00 11.41 C ATOM 913 CE2 TYR A 52 -0.335 5.915 -5.034 1.00 73.23 C ATOM 914 CZ TYR A 52 -0.239 4.679 -4.437 1.00 42.53 C ATOM 915 OH TYR A 52 -1.275 3.785 -4.551 1.00 21.20 O ATOM 0 H TYR A 52 4.967 8.903 -4.165 1.00 2.51 H new ATOM 0 HA TYR A 52 4.633 6.120 -4.014 1.00 2.34 H new ATOM 0 HB2 TYR A 52 3.103 7.734 -3.009 1.00 20.44 H new ATOM 0 HB3 TYR A 52 2.708 8.401 -4.581 1.00 20.44 H new ATOM 0 HD1 TYR A 52 2.802 4.973 -3.040 1.00 50.43 H new ATOM 0 HD2 TYR A 52 0.622 7.784 -5.381 1.00 13.54 H new ATOM 0 HE1 TYR A 52 0.961 3.368 -3.254 1.00 11.41 H new ATOM 0 HE2 TYR A 52 -1.219 6.179 -5.596 1.00 73.23 H new ATOM 0 HH TYR A 52 -1.841 4.035 -5.311 1.00 21.20 H new ATOM 925 N GLN A 53 4.181 7.451 -6.989 1.00 51.33 N ATOM 926 CA GLN A 53 4.096 7.120 -8.403 1.00 61.02 C ATOM 927 C GLN A 53 5.298 6.280 -8.825 1.00 61.22 C ATOM 928 O GLN A 53 5.163 5.358 -9.625 1.00 65.13 O ATOM 929 CB GLN A 53 4.014 8.381 -9.267 1.00 25.31 C ATOM 930 CG GLN A 53 3.905 8.082 -10.756 1.00 54.31 C ATOM 931 CD GLN A 53 2.653 7.293 -11.107 1.00 11.13 C ATOM 932 OE1 GLN A 53 1.606 7.865 -11.400 1.00 63.51 O ATOM 933 NE2 GLN A 53 2.749 5.973 -11.079 1.00 32.24 N ATOM 0 H GLN A 53 4.264 8.448 -6.790 1.00 51.33 H new ATOM 0 HA GLN A 53 3.183 6.543 -8.554 1.00 61.02 H new ATOM 0 HB2 GLN A 53 3.151 8.970 -8.957 1.00 25.31 H new ATOM 0 HB3 GLN A 53 4.898 8.993 -9.090 1.00 25.31 H new ATOM 0 HG2 GLN A 53 3.906 9.020 -11.312 1.00 54.31 H new ATOM 0 HG3 GLN A 53 4.784 7.522 -11.075 1.00 54.31 H new ATOM 0 HE21 GLN A 53 3.634 5.531 -10.831 1.00 32.24 H new ATOM 0 HE22 GLN A 53 1.938 5.398 -11.305 1.00 32.24 H new ATOM 942 N LYS A 54 6.467 6.597 -8.273 1.00 15.14 N ATOM 943 CA LYS A 54 7.688 5.850 -8.574 1.00 23.41 C ATOM 944 C LYS A 54 7.552 4.401 -8.106 1.00 22.34 C ATOM 945 O LYS A 54 8.002 3.472 -8.778 1.00 12.24 O ATOM 946 CB LYS A 54 8.895 6.505 -7.897 1.00 70.53 C ATOM 947 CG LYS A 54 9.098 7.962 -8.279 1.00 52.23 C ATOM 948 CD LYS A 54 10.244 8.586 -7.497 1.00 62.15 C ATOM 949 CE LYS A 54 10.391 10.071 -7.798 1.00 73.10 C ATOM 950 NZ LYS A 54 10.703 10.328 -9.230 1.00 62.43 N ATOM 0 H LYS A 54 6.596 7.366 -7.615 1.00 15.14 H new ATOM 0 HA LYS A 54 7.841 5.861 -9.653 1.00 23.41 H new ATOM 0 HB2 LYS A 54 8.775 6.436 -6.816 1.00 70.53 H new ATOM 0 HB3 LYS A 54 9.793 5.943 -8.154 1.00 70.53 H new ATOM 0 HG2 LYS A 54 9.302 8.035 -9.347 1.00 52.23 H new ATOM 0 HG3 LYS A 54 8.181 8.520 -8.091 1.00 52.23 H new ATOM 0 HD2 LYS A 54 10.074 8.447 -6.429 1.00 62.15 H new ATOM 0 HD3 LYS A 54 11.173 8.072 -7.742 1.00 62.15 H new ATOM 0 HE2 LYS A 54 9.469 10.587 -7.531 1.00 73.10 H new ATOM 0 HE3 LYS A 54 11.182 10.489 -7.175 1.00 73.10 H new ATOM 0 HZ1 LYS A 54 10.927 11.335 -9.361 1.00 62.43 H new ATOM 0 HZ2 LYS A 54 11.520 9.751 -9.516 1.00 62.43 H new ATOM 0 HZ3 LYS A 54 9.880 10.077 -9.815 1.00 62.43 H new ATOM 964 N PHE A 55 6.919 4.224 -6.949 1.00 3.04 N ATOM 965 CA PHE A 55 6.643 2.894 -6.414 1.00 64.14 C ATOM 966 C PHE A 55 5.732 2.118 -7.362 1.00 12.30 C ATOM 967 O PHE A 55 6.032 0.984 -7.737 1.00 33.01 O ATOM 968 CB PHE A 55 5.999 3.007 -5.026 1.00 10.24 C ATOM 969 CG PHE A 55 5.514 1.696 -4.471 1.00 61.24 C ATOM 970 CD1 PHE A 55 6.408 0.748 -4.005 1.00 32.34 C ATOM 971 CD2 PHE A 55 4.157 1.415 -4.420 1.00 3.32 C ATOM 972 CE1 PHE A 55 5.959 -0.457 -3.498 1.00 11.21 C ATOM 973 CE2 PHE A 55 3.704 0.212 -3.914 1.00 13.23 C ATOM 974 CZ PHE A 55 4.606 -0.724 -3.453 1.00 45.05 C ATOM 0 H PHE A 55 6.586 4.989 -6.362 1.00 3.04 H new ATOM 0 HA PHE A 55 7.584 2.352 -6.320 1.00 64.14 H new ATOM 0 HB2 PHE A 55 6.723 3.438 -4.334 1.00 10.24 H new ATOM 0 HB3 PHE A 55 5.159 3.700 -5.081 1.00 10.24 H new ATOM 0 HD1 PHE A 55 7.468 0.952 -4.038 1.00 32.34 H new ATOM 0 HD2 PHE A 55 3.447 2.145 -4.780 1.00 3.32 H new ATOM 0 HE1 PHE A 55 6.667 -1.189 -3.137 1.00 11.21 H new ATOM 0 HE2 PHE A 55 2.645 0.005 -3.879 1.00 13.23 H new ATOM 0 HZ PHE A 55 4.254 -1.665 -3.057 1.00 45.05 H new ATOM 984 N LEU A 56 4.627 2.746 -7.751 1.00 4.11 N ATOM 985 CA LEU A 56 3.685 2.135 -8.682 1.00 25.13 C ATOM 986 C LEU A 56 4.347 1.877 -10.029 1.00 71.24 C ATOM 987 O LEU A 56 4.036 0.902 -10.705 1.00 53.34 O ATOM 988 CB LEU A 56 2.463 3.032 -8.884 1.00 41.34 C ATOM 989 CG LEU A 56 1.575 3.232 -7.655 1.00 22.11 C ATOM 990 CD1 LEU A 56 0.420 4.157 -7.990 1.00 73.23 C ATOM 991 CD2 LEU A 56 1.054 1.895 -7.146 1.00 15.32 C ATOM 0 H LEU A 56 4.362 3.679 -7.435 1.00 4.11 H new ATOM 0 HA LEU A 56 3.365 1.186 -8.252 1.00 25.13 H new ATOM 0 HB2 LEU A 56 2.805 4.009 -9.225 1.00 41.34 H new ATOM 0 HB3 LEU A 56 1.854 2.611 -9.684 1.00 41.34 H new ATOM 0 HG LEU A 56 2.173 3.688 -6.866 1.00 22.11 H new ATOM 0 HD11 LEU A 56 -0.206 4.292 -7.108 1.00 73.23 H new ATOM 0 HD12 LEU A 56 0.809 5.123 -8.311 1.00 73.23 H new ATOM 0 HD13 LEU A 56 -0.174 3.721 -8.793 1.00 73.23 H new ATOM 0 HD21 LEU A 56 0.424 2.059 -6.271 1.00 15.32 H new ATOM 0 HD22 LEU A 56 0.469 1.411 -7.928 1.00 15.32 H new ATOM 0 HD23 LEU A 56 1.895 1.257 -6.873 1.00 15.32 H new ATOM 1003 N ASN A 57 5.263 2.758 -10.404 1.00 2.02 N ATOM 1004 CA ASN A 57 5.954 2.664 -11.684 1.00 3.23 C ATOM 1005 C ASN A 57 6.692 1.331 -11.793 1.00 25.05 C ATOM 1006 O ASN A 57 6.487 0.574 -12.740 1.00 53.34 O ATOM 1007 CB ASN A 57 6.939 3.827 -11.828 1.00 61.43 C ATOM 1008 CG ASN A 57 7.313 4.114 -13.268 1.00 43.02 C ATOM 1009 OD1 ASN A 57 8.250 3.530 -13.815 1.00 50.01 O ATOM 1010 ND2 ASN A 57 6.589 5.033 -13.889 1.00 34.24 N ATOM 0 H ASN A 57 5.548 3.554 -9.834 1.00 2.02 H new ATOM 0 HA ASN A 57 5.219 2.719 -12.487 1.00 3.23 H new ATOM 0 HB2 ASN A 57 6.501 4.723 -11.387 1.00 61.43 H new ATOM 0 HB3 ASN A 57 7.843 3.602 -11.262 1.00 61.43 H new ATOM 0 HD21 ASN A 57 6.799 5.280 -14.856 1.00 34.24 H new ATOM 0 HD22 ASN A 57 5.821 5.493 -13.400 1.00 34.24 H new ATOM 1017 N GLU A 58 7.523 1.037 -10.796 1.00 25.15 N ATOM 1018 CA GLU A 58 8.294 -0.204 -10.774 1.00 70.51 C ATOM 1019 C GLU A 58 7.370 -1.420 -10.679 1.00 4.23 C ATOM 1020 O GLU A 58 7.595 -2.446 -11.328 1.00 21.51 O ATOM 1021 CB GLU A 58 9.274 -0.193 -9.593 1.00 51.23 C ATOM 1022 CG GLU A 58 10.087 -1.471 -9.457 1.00 11.41 C ATOM 1023 CD GLU A 58 11.072 -1.425 -8.306 1.00 2.23 C ATOM 1024 OE1 GLU A 58 10.688 -1.773 -7.169 1.00 1.25 O ATOM 1025 OE2 GLU A 58 12.239 -1.047 -8.532 1.00 54.51 O ATOM 0 H GLU A 58 7.680 1.643 -9.991 1.00 25.15 H new ATOM 0 HA GLU A 58 8.856 -0.274 -11.705 1.00 70.51 H new ATOM 0 HB2 GLU A 58 9.956 0.650 -9.707 1.00 51.23 H new ATOM 0 HB3 GLU A 58 8.716 -0.029 -8.671 1.00 51.23 H new ATOM 0 HG2 GLU A 58 9.410 -2.313 -9.315 1.00 11.41 H new ATOM 0 HG3 GLU A 58 10.629 -1.651 -10.385 1.00 11.41 H new ATOM 1032 N TYR A 59 6.320 -1.289 -9.879 1.00 44.04 N ATOM 1033 CA TYR A 59 5.392 -2.385 -9.652 1.00 1.33 C ATOM 1034 C TYR A 59 4.573 -2.670 -10.913 1.00 55.23 C ATOM 1035 O TYR A 59 4.321 -3.826 -11.253 1.00 63.24 O ATOM 1036 CB TYR A 59 4.470 -2.054 -8.473 1.00 10.35 C ATOM 1037 CG TYR A 59 3.718 -3.247 -7.931 1.00 24.41 C ATOM 1038 CD1 TYR A 59 2.515 -3.650 -8.495 1.00 51.23 C ATOM 1039 CD2 TYR A 59 4.213 -3.974 -6.852 1.00 31.43 C ATOM 1040 CE1 TYR A 59 1.827 -4.740 -8.004 1.00 24.12 C ATOM 1041 CE2 TYR A 59 3.528 -5.067 -6.357 1.00 35.34 C ATOM 1042 CZ TYR A 59 2.337 -5.444 -6.934 1.00 54.23 C ATOM 1043 OH TYR A 59 1.655 -6.533 -6.448 1.00 73.25 O ATOM 0 H TYR A 59 6.091 -0.432 -9.376 1.00 44.04 H new ATOM 0 HA TYR A 59 5.962 -3.282 -9.411 1.00 1.33 H new ATOM 0 HB2 TYR A 59 5.065 -1.617 -7.671 1.00 10.35 H new ATOM 0 HB3 TYR A 59 3.752 -1.296 -8.787 1.00 10.35 H new ATOM 0 HD1 TYR A 59 2.111 -3.101 -9.332 1.00 51.23 H new ATOM 0 HD2 TYR A 59 5.146 -3.679 -6.395 1.00 31.43 H new ATOM 0 HE1 TYR A 59 0.893 -5.041 -8.456 1.00 24.12 H new ATOM 0 HE2 TYR A 59 3.926 -5.623 -5.521 1.00 35.34 H new ATOM 0 HH TYR A 59 2.148 -6.918 -5.694 1.00 73.25 H new ATOM 1053 N GLY A 60 4.191 -1.610 -11.613 1.00 62.03 N ATOM 1054 CA GLY A 60 3.372 -1.744 -12.803 1.00 34.04 C ATOM 1055 C GLY A 60 4.162 -2.204 -14.012 1.00 31.52 C ATOM 1056 O GLY A 60 3.588 -2.581 -15.029 1.00 63.20 O ATOM 0 H GLY A 60 4.437 -0.649 -11.375 1.00 62.03 H new ATOM 0 HA2 GLY A 60 2.569 -2.455 -12.608 1.00 34.04 H new ATOM 0 HA3 GLY A 60 2.902 -0.786 -13.025 1.00 34.04 H new ATOM 1060 N LEU A 61 5.481 -2.164 -13.909 1.00 4.23 N ATOM 1061 CA LEU A 61 6.339 -2.652 -14.981 1.00 31.52 C ATOM 1062 C LEU A 61 6.582 -4.146 -14.830 1.00 24.12 C ATOM 1063 O LEU A 61 7.015 -4.814 -15.768 1.00 73.15 O ATOM 1064 CB LEU A 61 7.681 -1.914 -14.982 1.00 13.22 C ATOM 1065 CG LEU A 61 7.611 -0.419 -15.289 1.00 5.03 C ATOM 1066 CD1 LEU A 61 8.981 0.219 -15.143 1.00 41.34 C ATOM 1067 CD2 LEU A 61 7.065 -0.179 -16.685 1.00 3.01 C ATOM 0 H LEU A 61 5.981 -1.800 -13.098 1.00 4.23 H new ATOM 0 HA LEU A 61 5.832 -2.464 -15.927 1.00 31.52 H new ATOM 0 HB2 LEU A 61 8.148 -2.045 -14.006 1.00 13.22 H new ATOM 0 HB3 LEU A 61 8.335 -2.387 -15.714 1.00 13.22 H new ATOM 0 HG LEU A 61 6.933 0.042 -14.571 1.00 5.03 H new ATOM 0 HD11 LEU A 61 8.912 1.284 -15.365 1.00 41.34 H new ATOM 0 HD12 LEU A 61 9.338 0.084 -14.122 1.00 41.34 H new ATOM 0 HD13 LEU A 61 9.678 -0.252 -15.836 1.00 41.34 H new ATOM 0 HD21 LEU A 61 7.025 0.893 -16.881 1.00 3.01 H new ATOM 0 HD22 LEU A 61 7.715 -0.657 -17.417 1.00 3.01 H new ATOM 0 HD23 LEU A 61 6.062 -0.600 -16.761 1.00 3.01 H new ATOM 1079 N THR A 62 6.288 -4.664 -13.648 1.00 24.23 N ATOM 1080 CA THR A 62 6.600 -6.045 -13.324 1.00 43.05 C ATOM 1081 C THR A 62 5.348 -6.888 -13.093 1.00 45.41 C ATOM 1082 O THR A 62 5.395 -8.116 -13.181 1.00 11.02 O ATOM 1083 CB THR A 62 7.487 -6.109 -12.070 1.00 62.02 C ATOM 1084 OG1 THR A 62 6.951 -5.251 -11.047 1.00 34.42 O ATOM 1085 CG2 THR A 62 8.912 -5.691 -12.392 1.00 32.21 C ATOM 0 H THR A 62 5.833 -4.147 -12.896 1.00 24.23 H new ATOM 0 HA THR A 62 7.129 -6.457 -14.183 1.00 43.05 H new ATOM 0 HB THR A 62 7.500 -7.139 -11.713 1.00 62.02 H new ATOM 0 HG1 THR A 62 6.265 -5.735 -10.541 1.00 34.42 H new ATOM 0 HG21 THR A 62 9.520 -5.745 -11.489 1.00 32.21 H new ATOM 0 HG22 THR A 62 9.325 -6.359 -13.148 1.00 32.21 H new ATOM 0 HG23 THR A 62 8.915 -4.669 -12.771 1.00 32.21 H new ATOM 1093 N HIS A 63 4.230 -6.240 -12.799 1.00 32.12 N ATOM 1094 CA HIS A 63 3.015 -6.958 -12.435 1.00 44.03 C ATOM 1095 C HIS A 63 1.856 -6.590 -13.345 1.00 40.34 C ATOM 1096 O HIS A 63 1.950 -5.657 -14.142 1.00 34.12 O ATOM 1097 CB HIS A 63 2.646 -6.679 -10.976 1.00 50.42 C ATOM 1098 CG HIS A 63 3.556 -7.341 -9.990 1.00 24.34 C ATOM 1099 ND1 HIS A 63 4.813 -6.864 -9.673 1.00 62.31 N ATOM 1100 CD2 HIS A 63 3.378 -8.453 -9.240 1.00 11.14 C ATOM 1101 CE1 HIS A 63 5.365 -7.658 -8.771 1.00 41.23 C ATOM 1102 NE2 HIS A 63 4.513 -8.627 -8.495 1.00 13.25 N ATOM 0 H HIS A 63 4.138 -5.224 -12.805 1.00 32.12 H new ATOM 0 HA HIS A 63 3.213 -8.023 -12.556 1.00 44.03 H new ATOM 0 HB2 HIS A 63 2.661 -5.602 -10.806 1.00 50.42 H new ATOM 0 HB3 HIS A 63 1.625 -7.015 -10.798 1.00 50.42 H new ATOM 0 HD2 HIS A 63 2.503 -9.086 -9.231 1.00 11.14 H new ATOM 0 HE1 HIS A 63 6.345 -7.534 -8.335 1.00 41.23 H new ATOM 0 HE2 HIS A 63 4.674 -9.385 -7.832 1.00 13.25 H new ATOM 1111 N SER A 64 0.765 -7.334 -13.215 1.00 44.01 N ATOM 1112 CA SER A 64 -0.424 -7.125 -14.028 1.00 23.14 C ATOM 1113 C SER A 64 -1.152 -5.849 -13.608 1.00 13.33 C ATOM 1114 O SER A 64 -0.905 -5.307 -12.525 1.00 60.44 O ATOM 1115 CB SER A 64 -1.349 -8.335 -13.892 1.00 1.22 C ATOM 1116 OG SER A 64 -0.623 -9.544 -14.065 1.00 60.14 O ATOM 0 H SER A 64 0.680 -8.098 -12.544 1.00 44.01 H new ATOM 0 HA SER A 64 -0.125 -7.012 -15.070 1.00 23.14 H new ATOM 0 HB2 SER A 64 -1.824 -8.327 -12.911 1.00 1.22 H new ATOM 0 HB3 SER A 64 -2.146 -8.275 -14.633 1.00 1.22 H new ATOM 0 HG SER A 64 -1.231 -10.307 -13.973 1.00 60.14 H new ATOM 1122 N TYR A 65 -2.059 -5.384 -14.461 1.00 41.31 N ATOM 1123 CA TYR A 65 -2.773 -4.138 -14.222 1.00 14.45 C ATOM 1124 C TYR A 65 -3.624 -4.219 -12.962 1.00 31.41 C ATOM 1125 O TYR A 65 -3.605 -3.313 -12.137 1.00 11.34 O ATOM 1126 CB TYR A 65 -3.657 -3.775 -15.420 1.00 54.14 C ATOM 1127 CG TYR A 65 -4.593 -2.617 -15.143 1.00 10.52 C ATOM 1128 CD1 TYR A 65 -4.118 -1.315 -15.070 1.00 54.13 C ATOM 1129 CD2 TYR A 65 -5.952 -2.831 -14.936 1.00 43.45 C ATOM 1130 CE1 TYR A 65 -4.965 -0.260 -14.800 1.00 15.03 C ATOM 1131 CE2 TYR A 65 -6.807 -1.780 -14.668 1.00 52.31 C ATOM 1132 CZ TYR A 65 -6.307 -0.496 -14.601 1.00 5.52 C ATOM 1133 OH TYR A 65 -7.149 0.556 -14.329 1.00 31.03 O ATOM 0 H TYR A 65 -2.317 -5.855 -15.328 1.00 41.31 H new ATOM 0 HA TYR A 65 -2.024 -3.358 -14.085 1.00 14.45 H new ATOM 0 HB2 TYR A 65 -3.021 -3.525 -16.269 1.00 54.14 H new ATOM 0 HB3 TYR A 65 -4.244 -4.647 -15.707 1.00 54.14 H new ATOM 0 HD1 TYR A 65 -3.067 -1.124 -15.227 1.00 54.13 H new ATOM 0 HD2 TYR A 65 -6.345 -3.836 -14.986 1.00 43.45 H new ATOM 0 HE1 TYR A 65 -4.577 0.746 -14.745 1.00 15.03 H new ATOM 0 HE2 TYR A 65 -7.860 -1.962 -14.512 1.00 52.31 H new ATOM 0 HH TYR A 65 -8.063 0.222 -14.216 1.00 31.03 H new ATOM 1143 N GLU A 66 -4.370 -5.298 -12.810 1.00 5.24 N ATOM 1144 CA GLU A 66 -5.266 -5.426 -11.675 1.00 20.11 C ATOM 1145 C GLU A 66 -4.477 -5.602 -10.383 1.00 31.20 C ATOM 1146 O GLU A 66 -4.932 -5.206 -9.311 1.00 22.41 O ATOM 1147 CB GLU A 66 -6.238 -6.584 -11.879 1.00 63.42 C ATOM 1148 CG GLU A 66 -7.415 -6.555 -10.921 1.00 44.43 C ATOM 1149 CD GLU A 66 -8.493 -7.539 -11.306 1.00 10.24 C ATOM 1150 OE1 GLU A 66 -9.097 -7.363 -12.387 1.00 63.21 O ATOM 1151 OE2 GLU A 66 -8.743 -8.485 -10.535 1.00 24.01 O ATOM 0 H GLU A 66 -4.374 -6.091 -13.451 1.00 5.24 H new ATOM 0 HA GLU A 66 -5.847 -4.507 -11.596 1.00 20.11 H new ATOM 0 HB2 GLU A 66 -6.611 -6.560 -12.903 1.00 63.42 H new ATOM 0 HB3 GLU A 66 -5.702 -7.525 -11.757 1.00 63.42 H new ATOM 0 HG2 GLU A 66 -7.065 -6.779 -9.913 1.00 44.43 H new ATOM 0 HG3 GLU A 66 -7.836 -5.550 -10.897 1.00 44.43 H new ATOM 1158 N THR A 67 -3.287 -6.174 -10.497 1.00 12.34 N ATOM 1159 CA THR A 67 -2.415 -6.362 -9.352 1.00 15.40 C ATOM 1160 C THR A 67 -2.000 -5.011 -8.764 1.00 12.32 C ATOM 1161 O THR A 67 -2.105 -4.791 -7.554 1.00 74.25 O ATOM 1162 CB THR A 67 -1.162 -7.160 -9.751 1.00 24.10 C ATOM 1163 OG1 THR A 67 -1.533 -8.209 -10.655 1.00 22.33 O ATOM 1164 CG2 THR A 67 -0.488 -7.761 -8.529 1.00 24.42 C ATOM 0 H THR A 67 -2.904 -6.517 -11.378 1.00 12.34 H new ATOM 0 HA THR A 67 -2.966 -6.923 -8.597 1.00 15.40 H new ATOM 0 HB THR A 67 -0.459 -6.481 -10.234 1.00 24.10 H new ATOM 0 HG1 THR A 67 -0.735 -8.717 -10.911 1.00 22.33 H new ATOM 0 HG21 THR A 67 0.395 -8.320 -8.839 1.00 24.42 H new ATOM 0 HG22 THR A 67 -0.192 -6.963 -7.848 1.00 24.42 H new ATOM 0 HG23 THR A 67 -1.183 -8.431 -8.023 1.00 24.42 H new ATOM 1172 N ILE A 68 -1.547 -4.103 -9.628 1.00 24.20 N ATOM 1173 CA ILE A 68 -1.172 -2.760 -9.197 1.00 32.44 C ATOM 1174 C ILE A 68 -2.421 -1.932 -8.882 1.00 65.32 C ATOM 1175 O ILE A 68 -2.422 -1.111 -7.967 1.00 42.31 O ATOM 1176 CB ILE A 68 -0.287 -2.036 -10.250 1.00 12.31 C ATOM 1177 CG1 ILE A 68 0.065 -0.622 -9.778 1.00 44.35 C ATOM 1178 CG2 ILE A 68 -0.968 -1.991 -11.610 1.00 14.42 C ATOM 1179 CD1 ILE A 68 0.907 0.158 -10.765 1.00 34.03 C ATOM 0 H ILE A 68 -1.432 -4.274 -10.627 1.00 24.20 H new ATOM 0 HA ILE A 68 -0.577 -2.862 -8.290 1.00 32.44 H new ATOM 0 HB ILE A 68 0.635 -2.607 -10.358 1.00 12.31 H new ATOM 0 HG12 ILE A 68 -0.857 -0.073 -9.587 1.00 44.35 H new ATOM 0 HG13 ILE A 68 0.600 -0.688 -8.830 1.00 44.35 H new ATOM 0 HG21 ILE A 68 -0.323 -1.478 -12.323 1.00 14.42 H new ATOM 0 HG22 ILE A 68 -1.156 -3.007 -11.956 1.00 14.42 H new ATOM 0 HG23 ILE A 68 -1.914 -1.455 -11.526 1.00 14.42 H new ATOM 0 HD11 ILE A 68 1.116 1.149 -10.362 1.00 34.03 H new ATOM 0 HD12 ILE A 68 1.846 -0.369 -10.938 1.00 34.03 H new ATOM 0 HD13 ILE A 68 0.367 0.256 -11.707 1.00 34.03 H new ATOM 1191 N ARG A 69 -3.485 -2.171 -9.638 1.00 0.33 N ATOM 1192 CA ARG A 69 -4.767 -1.512 -9.417 1.00 0.35 C ATOM 1193 C ARG A 69 -5.274 -1.777 -8.002 1.00 62.25 C ATOM 1194 O ARG A 69 -5.649 -0.856 -7.275 1.00 71.20 O ATOM 1195 CB ARG A 69 -5.786 -2.019 -10.441 1.00 32.11 C ATOM 1196 CG ARG A 69 -7.170 -1.408 -10.308 1.00 31.22 C ATOM 1197 CD ARG A 69 -8.138 -2.035 -11.297 1.00 62.22 C ATOM 1198 NE ARG A 69 -9.476 -1.458 -11.198 1.00 4.32 N ATOM 1199 CZ ARG A 69 -10.595 -2.083 -11.557 1.00 53.41 C ATOM 1200 NH1 ARG A 69 -10.552 -3.310 -12.068 1.00 74.32 N ATOM 1201 NH2 ARG A 69 -11.761 -1.469 -11.413 1.00 72.03 N ATOM 0 H ARG A 69 -3.484 -2.826 -10.420 1.00 0.33 H new ATOM 0 HA ARG A 69 -4.634 -0.437 -9.537 1.00 0.35 H new ATOM 0 HB2 ARG A 69 -5.408 -1.815 -11.443 1.00 32.11 H new ATOM 0 HB3 ARG A 69 -5.870 -3.102 -10.346 1.00 32.11 H new ATOM 0 HG2 ARG A 69 -7.539 -1.551 -9.292 1.00 31.22 H new ATOM 0 HG3 ARG A 69 -7.115 -0.333 -10.479 1.00 31.22 H new ATOM 0 HD2 ARG A 69 -7.759 -1.899 -12.310 1.00 62.22 H new ATOM 0 HD3 ARG A 69 -8.193 -3.109 -11.119 1.00 62.22 H new ATOM 0 HE ARG A 69 -9.559 -0.511 -10.828 1.00 4.32 H new ATOM 0 HH11 ARG A 69 -9.655 -3.781 -12.188 1.00 74.32 H new ATOM 0 HH12 ARG A 69 -11.416 -3.780 -12.340 1.00 74.32 H new ATOM 0 HH21 ARG A 69 -11.796 -0.524 -11.030 1.00 72.03 H new ATOM 0 HH22 ARG A 69 -12.623 -1.941 -11.686 1.00 72.03 H new ATOM 1215 N LYS A 70 -5.269 -3.044 -7.616 1.00 3.41 N ATOM 1216 CA LYS A 70 -5.746 -3.450 -6.305 1.00 72.11 C ATOM 1217 C LYS A 70 -4.781 -2.969 -5.223 1.00 2.10 C ATOM 1218 O LYS A 70 -5.200 -2.579 -4.133 1.00 21.20 O ATOM 1219 CB LYS A 70 -5.910 -4.970 -6.270 1.00 71.05 C ATOM 1220 CG LYS A 70 -6.793 -5.471 -5.140 1.00 41.43 C ATOM 1221 CD LYS A 70 -7.178 -6.934 -5.335 1.00 53.31 C ATOM 1222 CE LYS A 70 -8.011 -7.131 -6.594 1.00 60.05 C ATOM 1223 NZ LYS A 70 -8.514 -8.524 -6.724 1.00 72.35 N ATOM 0 H LYS A 70 -4.937 -3.813 -8.198 1.00 3.41 H new ATOM 0 HA LYS A 70 -6.717 -2.995 -6.110 1.00 72.11 H new ATOM 0 HB2 LYS A 70 -6.330 -5.302 -7.220 1.00 71.05 H new ATOM 0 HB3 LYS A 70 -4.926 -5.429 -6.179 1.00 71.05 H new ATOM 0 HG2 LYS A 70 -6.271 -5.355 -4.190 1.00 41.43 H new ATOM 0 HG3 LYS A 70 -7.695 -4.861 -5.084 1.00 41.43 H new ATOM 0 HD2 LYS A 70 -6.276 -7.543 -5.396 1.00 53.31 H new ATOM 0 HD3 LYS A 70 -7.740 -7.282 -4.468 1.00 53.31 H new ATOM 0 HE2 LYS A 70 -8.855 -6.442 -6.580 1.00 60.05 H new ATOM 0 HE3 LYS A 70 -7.410 -6.881 -7.468 1.00 60.05 H new ATOM 0 HZ1 LYS A 70 -9.075 -8.611 -7.595 1.00 72.35 H new ATOM 0 HZ2 LYS A 70 -7.709 -9.181 -6.764 1.00 72.35 H new ATOM 0 HZ3 LYS A 70 -9.110 -8.756 -5.904 1.00 72.35 H new ATOM 1237 N LEU A 71 -3.492 -2.986 -5.547 1.00 65.52 N ATOM 1238 CA LEU A 71 -2.458 -2.421 -4.682 1.00 23.21 C ATOM 1239 C LEU A 71 -2.760 -0.958 -4.366 1.00 75.40 C ATOM 1240 O LEU A 71 -2.792 -0.556 -3.201 1.00 51.34 O ATOM 1241 CB LEU A 71 -1.091 -2.533 -5.367 1.00 14.44 C ATOM 1242 CG LEU A 71 0.039 -1.725 -4.723 1.00 71.53 C ATOM 1243 CD1 LEU A 71 0.358 -2.245 -3.335 1.00 43.54 C ATOM 1244 CD2 LEU A 71 1.277 -1.749 -5.603 1.00 62.55 C ATOM 0 H LEU A 71 -3.134 -3.390 -6.413 1.00 65.52 H new ATOM 0 HA LEU A 71 -2.443 -2.981 -3.747 1.00 23.21 H new ATOM 0 HB2 LEU A 71 -0.798 -3.583 -5.385 1.00 14.44 H new ATOM 0 HB3 LEU A 71 -1.197 -2.214 -6.404 1.00 14.44 H new ATOM 0 HG LEU A 71 -0.296 -0.692 -4.625 1.00 71.53 H new ATOM 0 HD11 LEU A 71 1.164 -1.653 -2.901 1.00 43.54 H new ATOM 0 HD12 LEU A 71 -0.528 -2.168 -2.705 1.00 43.54 H new ATOM 0 HD13 LEU A 71 0.668 -3.288 -3.400 1.00 43.54 H new ATOM 0 HD21 LEU A 71 2.071 -1.170 -5.131 1.00 62.55 H new ATOM 0 HD22 LEU A 71 1.609 -2.779 -5.736 1.00 62.55 H new ATOM 0 HD23 LEU A 71 1.041 -1.316 -6.575 1.00 62.55 H new ATOM 1256 N ASN A 72 -2.984 -0.175 -5.417 1.00 35.03 N ATOM 1257 CA ASN A 72 -3.328 1.238 -5.281 1.00 73.51 C ATOM 1258 C ASN A 72 -4.564 1.412 -4.406 1.00 73.22 C ATOM 1259 O ASN A 72 -4.630 2.323 -3.583 1.00 1.44 O ATOM 1260 CB ASN A 72 -3.565 1.857 -6.664 1.00 71.13 C ATOM 1261 CG ASN A 72 -3.987 3.315 -6.603 1.00 44.41 C ATOM 1262 OD1 ASN A 72 -3.151 4.216 -6.559 1.00 63.31 O ATOM 1263 ND2 ASN A 72 -5.290 3.555 -6.629 1.00 71.41 N ATOM 0 H ASN A 72 -2.933 -0.499 -6.383 1.00 35.03 H new ATOM 0 HA ASN A 72 -2.495 1.751 -4.801 1.00 73.51 H new ATOM 0 HB2 ASN A 72 -2.652 1.774 -7.253 1.00 71.13 H new ATOM 0 HB3 ASN A 72 -4.333 1.285 -7.184 1.00 71.13 H new ATOM 0 HD21 ASN A 72 -5.632 4.516 -6.613 1.00 71.41 H new ATOM 0 HD22 ASN A 72 -5.951 2.779 -6.665 1.00 71.41 H new ATOM 1270 N SER A 73 -5.535 0.521 -4.577 1.00 43.42 N ATOM 1271 CA SER A 73 -6.758 0.559 -3.790 1.00 33.33 C ATOM 1272 C SER A 73 -6.446 0.354 -2.308 1.00 43.51 C ATOM 1273 O SER A 73 -6.991 1.055 -1.452 1.00 1.33 O ATOM 1274 CB SER A 73 -7.737 -0.508 -4.288 1.00 60.55 C ATOM 1275 OG SER A 73 -9.010 -0.372 -3.678 1.00 11.14 O ATOM 0 H SER A 73 -5.496 -0.238 -5.257 1.00 43.42 H new ATOM 0 HA SER A 73 -7.221 1.538 -3.908 1.00 33.33 H new ATOM 0 HB2 SER A 73 -7.841 -0.431 -5.370 1.00 60.55 H new ATOM 0 HB3 SER A 73 -7.335 -1.499 -4.076 1.00 60.55 H new ATOM 0 HG SER A 73 -9.612 -1.067 -4.018 1.00 11.14 H new ATOM 1281 N TYR A 74 -5.554 -0.592 -2.010 1.00 60.12 N ATOM 1282 CA TYR A 74 -5.126 -0.835 -0.636 1.00 31.35 C ATOM 1283 C TYR A 74 -4.497 0.418 -0.046 1.00 45.24 C ATOM 1284 O TYR A 74 -4.902 0.897 1.013 1.00 21.13 O ATOM 1285 CB TYR A 74 -4.103 -1.971 -0.564 1.00 15.11 C ATOM 1286 CG TYR A 74 -4.597 -3.310 -1.054 1.00 73.51 C ATOM 1287 CD1 TYR A 74 -5.898 -3.733 -0.814 1.00 74.13 C ATOM 1288 CD2 TYR A 74 -3.746 -4.165 -1.742 1.00 23.11 C ATOM 1289 CE1 TYR A 74 -6.335 -4.971 -1.246 1.00 11.44 C ATOM 1290 CE2 TYR A 74 -4.174 -5.400 -2.180 1.00 52.41 C ATOM 1291 CZ TYR A 74 -5.469 -5.798 -1.930 1.00 40.24 C ATOM 1292 OH TYR A 74 -5.899 -7.035 -2.354 1.00 31.12 O ATOM 0 H TYR A 74 -5.116 -1.200 -2.702 1.00 60.12 H new ATOM 0 HA TYR A 74 -6.013 -1.114 -0.067 1.00 31.35 H new ATOM 0 HB2 TYR A 74 -3.228 -1.688 -1.149 1.00 15.11 H new ATOM 0 HB3 TYR A 74 -3.775 -2.078 0.470 1.00 15.11 H new ATOM 0 HD1 TYR A 74 -6.578 -3.085 -0.282 1.00 74.13 H new ATOM 0 HD2 TYR A 74 -2.730 -3.857 -1.938 1.00 23.11 H new ATOM 0 HE1 TYR A 74 -7.348 -5.289 -1.049 1.00 11.44 H new ATOM 0 HE2 TYR A 74 -3.499 -6.051 -2.715 1.00 52.41 H new ATOM 0 HH TYR A 74 -5.264 -7.396 -3.008 1.00 31.12 H new ATOM 1302 N ILE A 75 -3.505 0.942 -0.751 1.00 35.54 N ATOM 1303 CA ILE A 75 -2.735 2.086 -0.278 1.00 13.03 C ATOM 1304 C ILE A 75 -3.602 3.335 -0.144 1.00 55.34 C ATOM 1305 O ILE A 75 -3.509 4.057 0.852 1.00 31.22 O ATOM 1306 CB ILE A 75 -1.542 2.371 -1.213 1.00 34.04 C ATOM 1307 CG1 ILE A 75 -0.575 1.181 -1.198 1.00 23.41 C ATOM 1308 CG2 ILE A 75 -0.828 3.655 -0.806 1.00 11.34 C ATOM 1309 CD1 ILE A 75 0.603 1.335 -2.134 1.00 44.14 C ATOM 0 H ILE A 75 -3.211 0.590 -1.662 1.00 35.54 H new ATOM 0 HA ILE A 75 -2.356 1.830 0.711 1.00 13.03 H new ATOM 0 HB ILE A 75 -1.916 2.507 -2.228 1.00 34.04 H new ATOM 0 HG12 ILE A 75 -0.204 1.040 -0.183 1.00 23.41 H new ATOM 0 HG13 ILE A 75 -1.123 0.277 -1.465 1.00 23.41 H new ATOM 0 HG21 ILE A 75 0.010 3.835 -1.480 1.00 11.34 H new ATOM 0 HG22 ILE A 75 -1.524 4.492 -0.861 1.00 11.34 H new ATOM 0 HG23 ILE A 75 -0.458 3.558 0.215 1.00 11.34 H new ATOM 0 HD11 ILE A 75 1.240 0.453 -2.066 1.00 44.14 H new ATOM 0 HD12 ILE A 75 0.243 1.444 -3.157 1.00 44.14 H new ATOM 0 HD13 ILE A 75 1.176 2.219 -1.855 1.00 44.14 H new ATOM 1321 N ARG A 76 -4.455 3.586 -1.128 1.00 13.01 N ATOM 1322 CA ARG A 76 -5.305 4.766 -1.093 1.00 21.01 C ATOM 1323 C ARG A 76 -6.271 4.694 0.085 1.00 33.01 C ATOM 1324 O ARG A 76 -6.560 5.710 0.711 1.00 73.33 O ATOM 1325 CB ARG A 76 -6.085 4.946 -2.401 1.00 34.23 C ATOM 1326 CG ARG A 76 -7.327 4.075 -2.524 1.00 75.24 C ATOM 1327 CD ARG A 76 -8.222 4.537 -3.662 1.00 54.41 C ATOM 1328 NE ARG A 76 -8.393 5.994 -3.666 1.00 4.13 N ATOM 1329 CZ ARG A 76 -9.168 6.670 -2.813 1.00 63.43 C ATOM 1330 NH1 ARG A 76 -9.889 6.028 -1.902 1.00 2.35 N ATOM 1331 NH2 ARG A 76 -9.226 7.993 -2.880 1.00 71.55 N ATOM 0 H ARG A 76 -4.576 2.995 -1.951 1.00 13.01 H new ATOM 0 HA ARG A 76 -4.654 5.631 -0.971 1.00 21.01 H new ATOM 0 HB2 ARG A 76 -6.380 5.991 -2.492 1.00 34.23 H new ATOM 0 HB3 ARG A 76 -5.421 4.729 -3.237 1.00 34.23 H new ATOM 0 HG2 ARG A 76 -7.031 3.039 -2.690 1.00 75.24 H new ATOM 0 HG3 ARG A 76 -7.885 4.101 -1.588 1.00 75.24 H new ATOM 0 HD2 ARG A 76 -7.794 4.219 -4.613 1.00 54.41 H new ATOM 0 HD3 ARG A 76 -9.197 4.057 -3.575 1.00 54.41 H new ATOM 0 HE ARG A 76 -7.884 6.529 -4.370 1.00 4.13 H new ATOM 0 HH11 ARG A 76 -9.854 5.010 -1.849 1.00 2.35 H new ATOM 0 HH12 ARG A 76 -10.478 6.553 -1.255 1.00 2.35 H new ATOM 0 HH21 ARG A 76 -8.680 8.493 -3.582 1.00 71.55 H new ATOM 0 HH22 ARG A 76 -9.817 8.511 -2.230 1.00 71.55 H new ATOM 1345 N ASN A 77 -6.760 3.491 0.381 1.00 1.01 N ATOM 1346 CA ASN A 77 -7.720 3.296 1.460 1.00 65.05 C ATOM 1347 C ASN A 77 -7.031 3.424 2.813 1.00 24.01 C ATOM 1348 O ASN A 77 -7.633 3.871 3.786 1.00 15.31 O ATOM 1349 CB ASN A 77 -8.409 1.936 1.330 1.00 62.31 C ATOM 1350 CG ASN A 77 -9.704 1.872 2.114 1.00 12.14 C ATOM 1351 OD1 ASN A 77 -9.727 1.472 3.278 1.00 73.41 O ATOM 1352 ND2 ASN A 77 -10.793 2.275 1.479 1.00 3.22 N ATOM 0 H ASN A 77 -6.505 2.636 -0.114 1.00 1.01 H new ATOM 0 HA ASN A 77 -8.483 4.071 1.388 1.00 65.05 H new ATOM 0 HB2 ASN A 77 -8.613 1.733 0.279 1.00 62.31 H new ATOM 0 HB3 ASN A 77 -7.735 1.154 1.681 1.00 62.31 H new ATOM 0 HD21 ASN A 77 -11.695 2.261 1.955 1.00 3.22 H new ATOM 0 HD22 ASN A 77 -10.730 2.599 0.514 1.00 3.22 H new ATOM 1359 N ALA A 78 -5.760 3.039 2.864 1.00 45.42 N ATOM 1360 CA ALA A 78 -4.963 3.201 4.073 1.00 43.42 C ATOM 1361 C ALA A 78 -4.795 4.680 4.403 1.00 22.35 C ATOM 1362 O ALA A 78 -4.889 5.089 5.558 1.00 60.23 O ATOM 1363 CB ALA A 78 -3.608 2.525 3.913 1.00 60.13 C ATOM 0 H ALA A 78 -5.261 2.613 2.083 1.00 45.42 H new ATOM 0 HA ALA A 78 -5.485 2.723 4.901 1.00 43.42 H new ATOM 0 HB1 ALA A 78 -3.026 2.656 4.825 1.00 60.13 H new ATOM 0 HB2 ALA A 78 -3.752 1.461 3.724 1.00 60.13 H new ATOM 0 HB3 ALA A 78 -3.074 2.973 3.075 1.00 60.13 H new ATOM 1369 N PHE A 79 -4.553 5.482 3.375 1.00 44.42 N ATOM 1370 CA PHE A 79 -4.482 6.925 3.542 1.00 75.53 C ATOM 1371 C PHE A 79 -5.874 7.517 3.734 1.00 3.41 C ATOM 1372 O PHE A 79 -6.030 8.526 4.408 1.00 23.24 O ATOM 1373 CB PHE A 79 -3.766 7.583 2.367 1.00 64.31 C ATOM 1374 CG PHE A 79 -2.273 7.471 2.447 1.00 34.41 C ATOM 1375 CD1 PHE A 79 -1.543 8.369 3.210 1.00 51.34 C ATOM 1376 CD2 PHE A 79 -1.598 6.473 1.765 1.00 63.33 C ATOM 1377 CE1 PHE A 79 -0.168 8.272 3.293 1.00 33.25 C ATOM 1378 CE2 PHE A 79 -0.222 6.373 1.843 1.00 1.02 C ATOM 1379 CZ PHE A 79 0.493 7.273 2.608 1.00 11.13 C ATOM 0 H PHE A 79 -4.403 5.158 2.420 1.00 44.42 H new ATOM 0 HA PHE A 79 -3.900 7.129 4.440 1.00 75.53 H new ATOM 0 HB2 PHE A 79 -4.109 7.126 1.439 1.00 64.31 H new ATOM 0 HB3 PHE A 79 -4.043 8.636 2.325 1.00 64.31 H new ATOM 0 HD1 PHE A 79 -2.056 9.154 3.746 1.00 51.34 H new ATOM 0 HD2 PHE A 79 -2.152 5.766 1.166 1.00 63.33 H new ATOM 0 HE1 PHE A 79 0.389 8.977 3.893 1.00 33.25 H new ATOM 0 HE2 PHE A 79 0.294 5.591 1.306 1.00 1.02 H new ATOM 0 HZ PHE A 79 1.568 7.195 2.670 1.00 11.13 H new ATOM 1389 N ASP A 80 -6.881 6.888 3.130 1.00 12.15 N ATOM 1390 CA ASP A 80 -8.275 7.294 3.328 1.00 75.32 C ATOM 1391 C ASP A 80 -8.636 7.173 4.807 1.00 12.03 C ATOM 1392 O ASP A 80 -9.421 7.955 5.341 1.00 65.11 O ATOM 1393 CB ASP A 80 -9.210 6.429 2.473 1.00 40.23 C ATOM 1394 CG ASP A 80 -10.655 6.894 2.506 1.00 43.34 C ATOM 1395 OD1 ASP A 80 -11.387 6.527 3.446 1.00 31.44 O ATOM 1396 OD2 ASP A 80 -11.073 7.619 1.574 1.00 43.22 O ATOM 0 H ASP A 80 -6.760 6.095 2.499 1.00 12.15 H new ATOM 0 HA ASP A 80 -8.394 8.332 3.017 1.00 75.32 H new ATOM 0 HB2 ASP A 80 -8.857 6.435 1.442 1.00 40.23 H new ATOM 0 HB3 ASP A 80 -9.159 5.397 2.822 1.00 40.23 H new ATOM 1401 N ASP A 81 -8.035 6.189 5.459 1.00 33.34 N ATOM 1402 CA ASP A 81 -8.158 6.020 6.902 1.00 64.14 C ATOM 1403 C ASP A 81 -7.484 7.184 7.625 1.00 72.43 C ATOM 1404 O ASP A 81 -8.069 7.812 8.511 1.00 54.33 O ATOM 1405 CB ASP A 81 -7.516 4.694 7.326 1.00 3.11 C ATOM 1406 CG ASP A 81 -7.631 4.422 8.812 1.00 1.54 C ATOM 1407 OD1 ASP A 81 -8.685 3.906 9.242 1.00 50.11 O ATOM 1408 OD2 ASP A 81 -6.666 4.701 9.552 1.00 41.43 O ATOM 0 H ASP A 81 -7.450 5.487 5.006 1.00 33.34 H new ATOM 0 HA ASP A 81 -9.214 6.005 7.170 1.00 64.14 H new ATOM 0 HB2 ASP A 81 -7.986 3.878 6.777 1.00 3.11 H new ATOM 0 HB3 ASP A 81 -6.463 4.702 7.045 1.00 3.11 H new ATOM 1413 N ALA A 82 -6.260 7.487 7.208 1.00 71.32 N ATOM 1414 CA ALA A 82 -5.466 8.551 7.813 1.00 61.12 C ATOM 1415 C ALA A 82 -6.087 9.935 7.586 1.00 31.12 C ATOM 1416 O ALA A 82 -6.050 10.789 8.474 1.00 4.25 O ATOM 1417 CB ALA A 82 -4.049 8.513 7.265 1.00 33.22 C ATOM 0 H ALA A 82 -5.790 7.003 6.443 1.00 71.32 H new ATOM 0 HA ALA A 82 -5.447 8.378 8.889 1.00 61.12 H new ATOM 0 HB1 ALA A 82 -3.461 9.310 7.721 1.00 33.22 H new ATOM 0 HB2 ALA A 82 -3.595 7.549 7.497 1.00 33.22 H new ATOM 0 HB3 ALA A 82 -4.073 8.652 6.184 1.00 33.22 H new ATOM 1423 N ILE A 83 -6.644 10.161 6.400 1.00 40.44 N ATOM 1424 CA ILE A 83 -7.246 11.451 6.073 1.00 62.54 C ATOM 1425 C ILE A 83 -8.573 11.632 6.799 1.00 63.13 C ATOM 1426 O ILE A 83 -8.927 12.743 7.197 1.00 55.40 O ATOM 1427 CB ILE A 83 -7.458 11.630 4.550 1.00 12.43 C ATOM 1428 CG1 ILE A 83 -7.878 13.068 4.232 1.00 71.11 C ATOM 1429 CG2 ILE A 83 -8.494 10.650 4.017 1.00 30.24 C ATOM 1430 CD1 ILE A 83 -8.118 13.323 2.759 1.00 5.51 C ATOM 0 H ILE A 83 -6.691 9.470 5.651 1.00 40.44 H new ATOM 0 HA ILE A 83 -6.544 12.215 6.407 1.00 62.54 H new ATOM 0 HB ILE A 83 -6.509 11.422 4.056 1.00 12.43 H new ATOM 0 HG12 ILE A 83 -8.788 13.301 4.785 1.00 71.11 H new ATOM 0 HG13 ILE A 83 -7.105 13.749 4.588 1.00 71.11 H new ATOM 0 HG21 ILE A 83 -8.620 10.801 2.945 1.00 30.24 H new ATOM 0 HG22 ILE A 83 -8.159 9.630 4.203 1.00 30.24 H new ATOM 0 HG23 ILE A 83 -9.446 10.817 4.521 1.00 30.24 H new ATOM 0 HD11 ILE A 83 -8.412 14.362 2.613 1.00 5.51 H new ATOM 0 HD12 ILE A 83 -7.203 13.123 2.201 1.00 5.51 H new ATOM 0 HD13 ILE A 83 -8.912 12.668 2.401 1.00 5.51 H new ATOM 1442 N HIS A 84 -9.295 10.529 6.992 1.00 31.41 N ATOM 1443 CA HIS A 84 -10.569 10.559 7.695 1.00 23.13 C ATOM 1444 C HIS A 84 -10.353 11.035 9.122 1.00 32.54 C ATOM 1445 O HIS A 84 -11.226 11.648 9.732 1.00 75.21 O ATOM 1446 CB HIS A 84 -11.210 9.171 7.698 1.00 22.51 C ATOM 1447 CG HIS A 84 -12.646 9.176 8.122 1.00 35.22 C ATOM 1448 ND1 HIS A 84 -13.063 8.894 9.406 1.00 62.31 N ATOM 1449 CD2 HIS A 84 -13.768 9.435 7.414 1.00 13.24 C ATOM 1450 CE1 HIS A 84 -14.379 8.978 9.466 1.00 14.21 C ATOM 1451 NE2 HIS A 84 -14.831 9.305 8.270 1.00 11.32 N ATOM 0 H HIS A 84 -9.015 9.603 6.669 1.00 31.41 H new ATOM 0 HA HIS A 84 -11.239 11.248 7.182 1.00 23.13 H new ATOM 0 HB2 HIS A 84 -11.136 8.744 6.698 1.00 22.51 H new ATOM 0 HB3 HIS A 84 -10.645 8.520 8.365 1.00 22.51 H new ATOM 0 HD2 HIS A 84 -13.818 9.696 6.367 1.00 13.24 H new ATOM 0 HE1 HIS A 84 -14.983 8.808 10.345 1.00 14.21 H new ATOM 0 HE2 HIS A 84 -15.811 9.439 8.023 1.00 11.32 H new ATOM 1460 N GLU A 85 -9.166 10.758 9.631 1.00 50.34 N ATOM 1461 CA GLU A 85 -8.789 11.179 10.967 1.00 44.34 C ATOM 1462 C GLU A 85 -8.147 12.561 10.913 1.00 43.53 C ATOM 1463 O GLU A 85 -8.526 13.471 11.649 1.00 21.13 O ATOM 1464 CB GLU A 85 -7.815 10.164 11.574 1.00 32.24 C ATOM 1465 CG GLU A 85 -7.389 10.486 12.998 1.00 52.53 C ATOM 1466 CD GLU A 85 -8.512 10.324 14.002 1.00 13.20 C ATOM 1467 OE1 GLU A 85 -9.391 11.205 14.067 1.00 43.23 O ATOM 1468 OE2 GLU A 85 -8.513 9.318 14.742 1.00 31.43 O ATOM 0 H GLU A 85 -8.442 10.239 9.134 1.00 50.34 H new ATOM 0 HA GLU A 85 -9.680 11.231 11.593 1.00 44.34 H new ATOM 0 HB2 GLU A 85 -8.279 9.178 11.559 1.00 32.24 H new ATOM 0 HB3 GLU A 85 -6.927 10.108 10.945 1.00 32.24 H new ATOM 0 HG2 GLU A 85 -6.561 9.836 13.279 1.00 52.53 H new ATOM 0 HG3 GLU A 85 -7.018 11.510 13.038 1.00 52.53 H new ATOM 1475 N GLY A 86 -7.203 12.715 10.000 1.00 5.01 N ATOM 1476 CA GLY A 86 -6.422 13.932 9.926 1.00 41.12 C ATOM 1477 C GLY A 86 -5.019 13.689 10.429 1.00 73.22 C ATOM 1478 O GLY A 86 -4.425 14.537 11.093 1.00 65.12 O ATOM 0 H GLY A 86 -6.961 12.012 9.302 1.00 5.01 H new ATOM 0 HA2 GLY A 86 -6.389 14.289 8.896 1.00 41.12 H new ATOM 0 HA3 GLY A 86 -6.897 14.713 10.519 1.00 41.12 H new ATOM 1482 N TYR A 87 -4.503 12.514 10.101 1.00 53.13 N ATOM 1483 CA TYR A 87 -3.223 12.049 10.610 1.00 35.42 C ATOM 1484 C TYR A 87 -2.065 12.548 9.748 1.00 34.33 C ATOM 1485 O TYR A 87 -1.057 13.040 10.264 1.00 10.24 O ATOM 1486 CB TYR A 87 -3.245 10.518 10.656 1.00 75.41 C ATOM 1487 CG TYR A 87 -2.019 9.879 11.261 1.00 22.12 C ATOM 1488 CD1 TYR A 87 -1.553 10.262 12.511 1.00 20.31 C ATOM 1489 CD2 TYR A 87 -1.335 8.882 10.583 1.00 4.21 C ATOM 1490 CE1 TYR A 87 -0.439 9.668 13.068 1.00 21.23 C ATOM 1491 CE2 TYR A 87 -0.222 8.279 11.136 1.00 12.12 C ATOM 1492 CZ TYR A 87 0.222 8.677 12.378 1.00 41.32 C ATOM 1493 OH TYR A 87 1.324 8.072 12.940 1.00 25.02 O ATOM 0 H TYR A 87 -4.962 11.855 9.472 1.00 53.13 H new ATOM 0 HA TYR A 87 -3.068 12.449 11.612 1.00 35.42 H new ATOM 0 HB2 TYR A 87 -4.119 10.199 11.223 1.00 75.41 H new ATOM 0 HB3 TYR A 87 -3.369 10.141 9.641 1.00 75.41 H new ATOM 0 HD1 TYR A 87 -2.071 11.037 13.056 1.00 20.31 H new ATOM 0 HD2 TYR A 87 -1.678 8.572 9.607 1.00 4.21 H new ATOM 0 HE1 TYR A 87 -0.087 9.979 14.041 1.00 21.23 H new ATOM 0 HE2 TYR A 87 0.297 7.500 10.598 1.00 12.12 H new ATOM 0 HH TYR A 87 1.236 8.074 13.916 1.00 25.02 H new ATOM 1503 N VAL A 88 -2.213 12.418 8.436 1.00 54.41 N ATOM 1504 CA VAL A 88 -1.180 12.841 7.494 1.00 31.41 C ATOM 1505 C VAL A 88 -1.797 13.596 6.324 1.00 32.22 C ATOM 1506 O VAL A 88 -2.907 14.122 6.434 1.00 1.53 O ATOM 1507 CB VAL A 88 -0.366 11.642 6.950 1.00 41.04 C ATOM 1508 CG1 VAL A 88 0.483 11.027 8.048 1.00 70.22 C ATOM 1509 CG2 VAL A 88 -1.285 10.594 6.334 1.00 24.10 C ATOM 0 H VAL A 88 -3.043 12.021 7.996 1.00 54.41 H new ATOM 0 HA VAL A 88 -0.503 13.497 8.042 1.00 31.41 H new ATOM 0 HB VAL A 88 0.298 12.013 6.169 1.00 41.04 H new ATOM 0 HG11 VAL A 88 1.047 10.186 7.644 1.00 70.22 H new ATOM 0 HG12 VAL A 88 1.175 11.775 8.435 1.00 70.22 H new ATOM 0 HG13 VAL A 88 -0.162 10.678 8.854 1.00 70.22 H new ATOM 0 HG21 VAL A 88 -0.689 9.762 5.959 1.00 24.10 H new ATOM 0 HG22 VAL A 88 -1.980 10.230 7.090 1.00 24.10 H new ATOM 0 HG23 VAL A 88 -1.844 11.039 5.511 1.00 24.10 H new ATOM 1519 N ILE A 89 -1.068 13.653 5.212 1.00 21.22 N ATOM 1520 CA ILE A 89 -1.550 14.314 4.005 1.00 5.20 C ATOM 1521 C ILE A 89 -2.816 13.652 3.471 1.00 21.23 C ATOM 1522 O ILE A 89 -3.186 12.559 3.902 1.00 63.12 O ATOM 1523 CB ILE A 89 -0.488 14.325 2.886 1.00 22.11 C ATOM 1524 CG1 ILE A 89 0.048 12.911 2.633 1.00 61.40 C ATOM 1525 CG2 ILE A 89 0.641 15.282 3.239 1.00 42.24 C ATOM 1526 CD1 ILE A 89 0.997 12.821 1.458 1.00 64.34 C ATOM 0 H ILE A 89 -0.137 13.247 5.123 1.00 21.22 H new ATOM 0 HA ILE A 89 -1.770 15.342 4.294 1.00 5.20 H new ATOM 0 HB ILE A 89 -0.956 14.674 1.966 1.00 22.11 H new ATOM 0 HG12 ILE A 89 0.559 12.560 3.529 1.00 61.40 H new ATOM 0 HG13 ILE A 89 -0.793 12.239 2.462 1.00 61.40 H new ATOM 0 HG21 ILE A 89 1.383 15.280 2.441 1.00 42.24 H new ATOM 0 HG22 ILE A 89 0.241 16.289 3.359 1.00 42.24 H new ATOM 0 HG23 ILE A 89 1.109 14.964 4.171 1.00 42.24 H new ATOM 0 HD11 ILE A 89 1.334 11.791 1.341 1.00 64.34 H new ATOM 0 HD12 ILE A 89 0.484 13.140 0.551 1.00 64.34 H new ATOM 0 HD13 ILE A 89 1.857 13.467 1.635 1.00 64.34 H new ATOM 1538 N LYS A 90 -3.462 14.324 2.527 1.00 71.52 N ATOM 1539 CA LYS A 90 -4.733 13.870 1.977 1.00 4.14 C ATOM 1540 C LYS A 90 -4.623 12.460 1.396 1.00 42.35 C ATOM 1541 O LYS A 90 -5.207 11.515 1.927 1.00 24.41 O ATOM 1542 CB LYS A 90 -5.220 14.851 0.905 1.00 21.04 C ATOM 1543 CG LYS A 90 -5.317 16.288 1.400 1.00 62.55 C ATOM 1544 CD LYS A 90 -6.253 16.408 2.591 1.00 14.34 C ATOM 1545 CE LYS A 90 -6.294 17.827 3.135 1.00 20.33 C ATOM 1546 NZ LYS A 90 -7.183 17.940 4.324 1.00 41.55 N ATOM 0 H LYS A 90 -3.121 15.196 2.122 1.00 71.52 H new ATOM 0 HA LYS A 90 -5.458 13.836 2.790 1.00 4.14 H new ATOM 0 HB2 LYS A 90 -4.541 14.813 0.053 1.00 21.04 H new ATOM 0 HB3 LYS A 90 -6.199 14.531 0.548 1.00 21.04 H new ATOM 0 HG2 LYS A 90 -4.326 16.645 1.678 1.00 62.55 H new ATOM 0 HG3 LYS A 90 -5.671 16.928 0.592 1.00 62.55 H new ATOM 0 HD2 LYS A 90 -7.257 16.102 2.297 1.00 14.34 H new ATOM 0 HD3 LYS A 90 -5.930 15.726 3.378 1.00 14.34 H new ATOM 0 HE2 LYS A 90 -5.286 18.142 3.404 1.00 20.33 H new ATOM 0 HE3 LYS A 90 -6.642 18.505 2.356 1.00 20.33 H new ATOM 0 HZ1 LYS A 90 -7.184 18.923 4.665 1.00 41.55 H new ATOM 0 HZ2 LYS A 90 -8.151 17.664 4.061 1.00 41.55 H new ATOM 0 HZ3 LYS A 90 -6.836 17.312 5.077 1.00 41.55 H new ATOM 1560 N ASN A 91 -3.871 12.323 0.309 1.00 71.41 N ATOM 1561 CA ASN A 91 -3.707 11.025 -0.337 1.00 34.33 C ATOM 1562 C ASN A 91 -2.642 11.104 -1.428 1.00 1.14 C ATOM 1563 O ASN A 91 -2.567 12.093 -2.163 1.00 12.41 O ATOM 1564 CB ASN A 91 -5.033 10.565 -0.948 1.00 32.12 C ATOM 1565 CG ASN A 91 -5.267 9.074 -0.795 1.00 63.22 C ATOM 1566 OD1 ASN A 91 -4.828 8.272 -1.621 1.00 51.51 O ATOM 1567 ND2 ASN A 91 -5.971 8.697 0.259 1.00 1.21 N ATOM 0 H ASN A 91 -3.369 13.088 -0.141 1.00 71.41 H new ATOM 0 HA ASN A 91 -3.391 10.305 0.417 1.00 34.33 H new ATOM 0 HB2 ASN A 91 -5.852 11.107 -0.476 1.00 32.12 H new ATOM 0 HB3 ASN A 91 -5.049 10.823 -2.007 1.00 32.12 H new ATOM 0 HD21 ASN A 91 -6.169 7.708 0.413 1.00 1.21 H new ATOM 0 HD22 ASN A 91 -6.315 9.395 0.918 1.00 1.21 H new ATOM 1574 N PRO A 92 -1.791 10.074 -1.542 1.00 3.44 N ATOM 1575 CA PRO A 92 -0.744 10.023 -2.562 1.00 4.15 C ATOM 1576 C PRO A 92 -1.274 9.605 -3.933 1.00 75.21 C ATOM 1577 O PRO A 92 -0.618 9.821 -4.948 1.00 41.23 O ATOM 1578 CB PRO A 92 0.213 8.969 -2.016 1.00 72.02 C ATOM 1579 CG PRO A 92 -0.653 8.043 -1.238 1.00 44.20 C ATOM 1580 CD PRO A 92 -1.764 8.886 -0.666 1.00 12.22 C ATOM 0 HA PRO A 92 -0.288 10.999 -2.728 1.00 4.15 H new ATOM 0 HB2 PRO A 92 0.729 8.447 -2.822 1.00 72.02 H new ATOM 0 HB3 PRO A 92 0.980 9.419 -1.385 1.00 72.02 H new ATOM 0 HG2 PRO A 92 -1.052 7.255 -1.876 1.00 44.20 H new ATOM 0 HG3 PRO A 92 -0.087 7.555 -0.445 1.00 44.20 H new ATOM 0 HD2 PRO A 92 -2.716 8.356 -0.681 1.00 12.22 H new ATOM 0 HD3 PRO A 92 -1.567 9.158 0.371 1.00 12.22 H new ATOM 1588 N THR A 93 -2.472 9.036 -3.962 1.00 14.13 N ATOM 1589 CA THR A 93 -3.057 8.558 -5.211 1.00 32.32 C ATOM 1590 C THR A 93 -3.605 9.724 -6.035 1.00 32.35 C ATOM 1591 O THR A 93 -4.144 9.539 -7.126 1.00 64.51 O ATOM 1592 CB THR A 93 -4.178 7.538 -4.940 1.00 31.12 C ATOM 1593 OG1 THR A 93 -5.237 8.155 -4.196 1.00 62.44 O ATOM 1594 CG2 THR A 93 -3.639 6.347 -4.162 1.00 21.41 C ATOM 0 H THR A 93 -3.057 8.894 -3.139 1.00 14.13 H new ATOM 0 HA THR A 93 -2.267 8.066 -5.779 1.00 32.32 H new ATOM 0 HB THR A 93 -4.564 7.190 -5.898 1.00 31.12 H new ATOM 0 HG1 THR A 93 -5.001 8.173 -3.245 1.00 62.44 H new ATOM 0 HG21 THR A 93 -4.445 5.637 -3.980 1.00 21.41 H new ATOM 0 HG22 THR A 93 -2.851 5.862 -4.739 1.00 21.41 H new ATOM 0 HG23 THR A 93 -3.233 6.688 -3.209 1.00 21.41 H new ATOM 1602 N TYR A 94 -3.451 10.922 -5.486 1.00 61.01 N ATOM 1603 CA TYR A 94 -3.879 12.155 -6.133 1.00 13.23 C ATOM 1604 C TYR A 94 -3.162 12.355 -7.469 1.00 15.20 C ATOM 1605 O TYR A 94 -3.741 12.861 -8.428 1.00 72.41 O ATOM 1606 CB TYR A 94 -3.582 13.321 -5.194 1.00 50.42 C ATOM 1607 CG TYR A 94 -4.124 14.654 -5.643 1.00 41.24 C ATOM 1608 CD1 TYR A 94 -5.431 15.016 -5.358 1.00 65.25 C ATOM 1609 CD2 TYR A 94 -3.323 15.560 -6.329 1.00 54.12 C ATOM 1610 CE1 TYR A 94 -5.931 16.241 -5.745 1.00 35.33 C ATOM 1611 CE2 TYR A 94 -3.815 16.791 -6.715 1.00 4.10 C ATOM 1612 CZ TYR A 94 -5.121 17.125 -6.421 1.00 3.44 C ATOM 1613 OH TYR A 94 -5.618 18.352 -6.795 1.00 44.11 O ATOM 0 H TYR A 94 -3.022 11.066 -4.572 1.00 61.01 H new ATOM 0 HA TYR A 94 -4.948 12.101 -6.340 1.00 13.23 H new ATOM 0 HB2 TYR A 94 -3.994 13.091 -4.211 1.00 50.42 H new ATOM 0 HB3 TYR A 94 -2.502 13.406 -5.075 1.00 50.42 H new ATOM 0 HD1 TYR A 94 -6.068 14.327 -4.824 1.00 65.25 H new ATOM 0 HD2 TYR A 94 -2.302 15.297 -6.563 1.00 54.12 H new ATOM 0 HE1 TYR A 94 -6.953 16.506 -5.519 1.00 35.33 H new ATOM 0 HE2 TYR A 94 -3.182 17.488 -7.244 1.00 4.10 H new ATOM 0 HH TYR A 94 -4.921 18.859 -7.262 1.00 44.11 H new ATOM 1623 N LYS A 95 -1.900 11.948 -7.521 1.00 60.22 N ATOM 1624 CA LYS A 95 -1.091 12.094 -8.726 1.00 14.11 C ATOM 1625 C LYS A 95 -0.615 10.732 -9.216 1.00 71.44 C ATOM 1626 O LYS A 95 0.437 10.620 -9.843 1.00 44.41 O ATOM 1627 CB LYS A 95 0.124 12.995 -8.460 1.00 54.43 C ATOM 1628 CG LYS A 95 -0.210 14.469 -8.286 1.00 72.40 C ATOM 1629 CD LYS A 95 -0.920 15.027 -9.508 1.00 75.14 C ATOM 1630 CE LYS A 95 -1.095 16.532 -9.414 1.00 52.43 C ATOM 1631 NZ LYS A 95 -1.797 17.084 -10.600 1.00 54.44 N ATOM 0 H LYS A 95 -1.412 11.512 -6.739 1.00 60.22 H new ATOM 0 HA LYS A 95 -1.713 12.555 -9.493 1.00 14.11 H new ATOM 0 HB2 LYS A 95 0.633 12.642 -7.563 1.00 54.43 H new ATOM 0 HB3 LYS A 95 0.826 12.890 -9.287 1.00 54.43 H new ATOM 0 HG2 LYS A 95 -0.841 14.599 -7.407 1.00 72.40 H new ATOM 0 HG3 LYS A 95 0.706 15.032 -8.107 1.00 72.40 H new ATOM 0 HD2 LYS A 95 -0.350 14.782 -10.404 1.00 75.14 H new ATOM 0 HD3 LYS A 95 -1.896 14.552 -9.611 1.00 75.14 H new ATOM 0 HE2 LYS A 95 -1.658 16.776 -8.513 1.00 52.43 H new ATOM 0 HE3 LYS A 95 -0.118 17.006 -9.318 1.00 52.43 H new ATOM 0 HZ1 LYS A 95 -1.896 18.114 -10.496 1.00 54.44 H new ATOM 0 HZ2 LYS A 95 -1.248 16.874 -11.458 1.00 54.44 H new ATOM 0 HZ3 LYS A 95 -2.740 16.652 -10.678 1.00 54.44 H new ATOM 1645 N ALA A 96 -1.397 9.700 -8.936 1.00 75.41 N ATOM 1646 CA ALA A 96 -1.023 8.347 -9.311 1.00 40.45 C ATOM 1647 C ALA A 96 -1.742 7.904 -10.569 1.00 41.22 C ATOM 1648 O ALA A 96 -2.834 8.386 -10.882 1.00 73.51 O ATOM 1649 CB ALA A 96 -1.327 7.375 -8.191 1.00 43.52 C ATOM 0 H ALA A 96 -2.292 9.774 -8.452 1.00 75.41 H new ATOM 0 HA ALA A 96 0.050 8.351 -9.504 1.00 40.45 H new ATOM 0 HB1 ALA A 96 -1.039 6.369 -8.494 1.00 43.52 H new ATOM 0 HB2 ALA A 96 -0.767 7.660 -7.300 1.00 43.52 H new ATOM 0 HB3 ALA A 96 -2.394 7.396 -7.971 1.00 43.52 H new ATOM 1655 N GLU A 97 -1.122 6.981 -11.283 1.00 3.44 N ATOM 1656 CA GLU A 97 -1.717 6.398 -12.465 1.00 11.43 C ATOM 1657 C GLU A 97 -1.311 4.930 -12.578 1.00 4.25 C ATOM 1658 O GLU A 97 -0.185 4.563 -12.237 1.00 23.44 O ATOM 1659 CB GLU A 97 -1.291 7.173 -13.705 1.00 34.53 C ATOM 1660 CG GLU A 97 -2.003 6.718 -14.957 1.00 71.34 C ATOM 1661 CD GLU A 97 -1.610 7.519 -16.175 1.00 72.55 C ATOM 1662 OE1 GLU A 97 -0.539 7.238 -16.755 1.00 14.45 O ATOM 1663 OE2 GLU A 97 -2.380 8.412 -16.575 1.00 62.33 O ATOM 0 H GLU A 97 -0.196 6.618 -11.058 1.00 3.44 H new ATOM 0 HA GLU A 97 -2.803 6.454 -12.385 1.00 11.43 H new ATOM 0 HB2 GLU A 97 -1.485 8.234 -13.548 1.00 34.53 H new ATOM 0 HB3 GLU A 97 -0.216 7.063 -13.844 1.00 34.53 H new ATOM 0 HG2 GLU A 97 -1.783 5.665 -15.133 1.00 71.34 H new ATOM 0 HG3 GLU A 97 -3.080 6.797 -14.807 1.00 71.34 H new ATOM 1670 N LEU A 98 -2.229 4.104 -13.064 1.00 74.30 N ATOM 1671 CA LEU A 98 -2.035 2.657 -13.086 1.00 71.25 C ATOM 1672 C LEU A 98 -1.707 2.143 -14.486 1.00 33.22 C ATOM 1673 O LEU A 98 -2.123 1.052 -14.866 1.00 33.51 O ATOM 1674 CB LEU A 98 -3.301 1.967 -12.570 1.00 72.23 C ATOM 1675 CG LEU A 98 -3.705 2.347 -11.148 1.00 3.43 C ATOM 1676 CD1 LEU A 98 -5.062 1.756 -10.800 1.00 50.24 C ATOM 1677 CD2 LEU A 98 -2.647 1.887 -10.160 1.00 61.23 C ATOM 0 H LEU A 98 -3.121 4.413 -13.451 1.00 74.30 H new ATOM 0 HA LEU A 98 -1.186 2.425 -12.442 1.00 71.25 H new ATOM 0 HB2 LEU A 98 -4.126 2.203 -13.242 1.00 72.23 H new ATOM 0 HB3 LEU A 98 -3.153 0.888 -12.614 1.00 72.23 H new ATOM 0 HG LEU A 98 -3.784 3.432 -11.088 1.00 3.43 H new ATOM 0 HD11 LEU A 98 -5.332 2.038 -9.782 1.00 50.24 H new ATOM 0 HD12 LEU A 98 -5.813 2.136 -11.493 1.00 50.24 H new ATOM 0 HD13 LEU A 98 -5.016 0.670 -10.875 1.00 50.24 H new ATOM 0 HD21 LEU A 98 -2.948 2.164 -9.150 1.00 61.23 H new ATOM 0 HD22 LEU A 98 -2.538 0.804 -10.222 1.00 61.23 H new ATOM 0 HD23 LEU A 98 -1.695 2.362 -10.399 1.00 61.23 H new ATOM 1689 N HIS A 99 -0.946 2.913 -15.249 1.00 73.44 N ATOM 1690 CA HIS A 99 -0.554 2.480 -16.586 1.00 61.23 C ATOM 1691 C HIS A 99 0.579 1.463 -16.520 1.00 23.43 C ATOM 1692 O HIS A 99 1.752 1.826 -16.473 1.00 12.13 O ATOM 1693 CB HIS A 99 -0.143 3.665 -17.463 1.00 12.13 C ATOM 1694 CG HIS A 99 -1.231 4.152 -18.371 1.00 70.43 C ATOM 1695 ND1 HIS A 99 -1.617 5.469 -18.441 1.00 54.51 N ATOM 1696 CD2 HIS A 99 -1.999 3.491 -19.270 1.00 13.31 C ATOM 1697 CE1 HIS A 99 -2.570 5.601 -19.343 1.00 22.23 C ATOM 1698 NE2 HIS A 99 -2.823 4.415 -19.865 1.00 73.03 N ATOM 0 H HIS A 99 -0.591 3.828 -14.973 1.00 73.44 H new ATOM 0 HA HIS A 99 -1.425 2.007 -17.039 1.00 61.23 H new ATOM 0 HB2 HIS A 99 0.177 4.486 -16.821 1.00 12.13 H new ATOM 0 HB3 HIS A 99 0.719 3.377 -18.066 1.00 12.13 H new ATOM 0 HD1 HIS A 99 -1.227 6.227 -17.882 1.00 54.51 H new ATOM 0 HD2 HIS A 99 -1.969 2.432 -19.480 1.00 13.31 H new ATOM 0 HE1 HIS A 99 -3.061 6.525 -19.610 1.00 22.23 H new ATOM 1707 N ALA A 100 0.210 0.190 -16.488 1.00 31.50 N ATOM 1708 CA ALA A 100 1.185 -0.890 -16.508 1.00 21.04 C ATOM 1709 C ALA A 100 1.783 -1.028 -17.903 1.00 31.24 C ATOM 1710 O ALA A 100 1.101 -1.443 -18.843 1.00 31.44 O ATOM 1711 CB ALA A 100 0.533 -2.196 -16.071 1.00 14.43 C ATOM 0 H ALA A 100 -0.761 -0.120 -16.448 1.00 31.50 H new ATOM 0 HA ALA A 100 1.988 -0.656 -15.809 1.00 21.04 H new ATOM 0 HB1 ALA A 100 1.273 -2.996 -16.090 1.00 14.43 H new ATOM 0 HB2 ALA A 100 0.143 -2.087 -15.059 1.00 14.43 H new ATOM 0 HB3 ALA A 100 -0.283 -2.440 -16.751 1.00 14.43 H new ATOM 1717 N SER A 101 3.055 -0.677 -18.035 1.00 54.42 N ATOM 1718 CA SER A 101 3.736 -0.695 -19.325 1.00 23.24 C ATOM 1719 C SER A 101 4.287 -2.087 -19.645 1.00 42.52 C ATOM 1720 O SER A 101 5.252 -2.229 -20.402 1.00 13.52 O ATOM 1721 CB SER A 101 4.868 0.334 -19.320 1.00 45.34 C ATOM 1722 OG SER A 101 4.383 1.625 -18.983 1.00 63.33 O ATOM 0 H SER A 101 3.642 -0.374 -17.258 1.00 54.42 H new ATOM 0 HA SER A 101 3.013 -0.439 -20.100 1.00 23.24 H new ATOM 0 HB2 SER A 101 5.635 0.032 -18.606 1.00 45.34 H new ATOM 0 HB3 SER A 101 5.341 0.364 -20.302 1.00 45.34 H new ATOM 0 HG SER A 101 5.126 2.264 -18.985 1.00 63.33 H new