USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 961 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 22 SER OG : rot -71:sc= 0.951 USER MOD Set 1.2: A 107 GLN : amide:sc= 0.94 K(o=1.9,f=-2.2) USER MOD Set 2.1: A 7 THR OG1 : rot -105:sc= 0.158 USER MOD Set 2.2: A 11 THR OG1 : rot -87:sc= 1.57 USER MOD Set 2.3: A 12 ASN : amide:sc= 0.142 X(o=1.9,f=1.6) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.141 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.7!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0782 USER MOD Single : A 18 ASN : amide:sc= -0.0735 K(o=-0.074,f=-0.93) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -89:sc= 1.26 USER MOD Single : A 29 SER OG : rot -43:sc= 0.0375 USER MOD Single : A 30 MET CE :methyl -154:sc= -0.745 (180deg=-1.59) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00959 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.0545 K(o=0.054,f=-3.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 70:sc= 0.122 USER MOD Single : A 50 GLN : amide:sc= 0.714 K(o=0.71,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 54 SER OG : rot 72:sc= 0.0285 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 70 ASN : amide:sc=-0.00236 X(o=-0.0024,f=-0.27) USER MOD Single : A 71 MET CE :methyl -160:sc= 0 (180deg=-0.553) USER MOD Single : A 75 SER OG : rot 76:sc= 0.568 USER MOD Single : A 76 SER OG : rot 150:sc= -0.0225 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.037 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 1.02 (180deg=1.02) USER MOD Single : A 94 THR OG1 : rot -79:sc= 1.23 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -21:sc= 0.372 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 55:sc= 1.23 USER MOD Single : A 103 ASN : amide:sc= -0.0759 X(o=-0.076,f=-0.56) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00655 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc=-0.00913 X(o=-0.0091,f=-0.031) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 121 THR OG1 : rot 4:sc= 0.356 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 125 SER OG : rot -27:sc= 1.2 USER MOD Single : A 126 MET CE :methyl 162:sc= -0.193 (180deg=-0.756) USER MOD Single : A 129 GLN : amide:sc= 0.286 X(o=0.29,f=0) USER MOD Single : A 132 MET CE :methyl -115:sc= 0 (180deg=-0.00617) USER MOD Single : A 133 ASN : amide:sc= 0.167 X(o=0.17,f=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0.0809 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.590 -3.853 15.910 1.00 24.45 N ATOM 2 CA GLY A 1 24.570 -2.484 15.375 1.00 5.12 C ATOM 3 C GLY A 1 23.506 -1.644 16.066 1.00 24.23 C ATOM 4 O GLY A 1 22.706 -2.171 16.841 1.00 34.41 O ATOM 0 H1 GLY A 1 25.475 -4.008 16.433 1.00 24.45 H new ATOM 0 H2 GLY A 1 23.781 -3.987 16.550 1.00 24.45 H new ATOM 0 H3 GLY A 1 24.528 -4.533 15.126 1.00 24.45 H new ATOM 0 HA2 GLY A 1 25.548 -2.022 15.511 1.00 5.12 H new ATOM 0 HA3 GLY A 1 24.377 -2.512 14.303 1.00 5.12 H new ATOM 8 N SER A 2 23.484 -0.333 15.816 1.00 32.35 N ATOM 9 CA SER A 2 22.522 0.602 16.391 1.00 71.15 C ATOM 10 C SER A 2 22.095 1.631 15.337 1.00 42.11 C ATOM 11 O SER A 2 22.622 1.612 14.225 1.00 23.43 O ATOM 12 CB SER A 2 23.108 1.241 17.656 1.00 34.35 C ATOM 13 OG SER A 2 22.067 1.589 18.548 1.00 11.02 O ATOM 0 H SER A 2 24.153 0.117 15.191 1.00 32.35 H new ATOM 0 HA SER A 2 21.619 0.073 16.695 1.00 71.15 H new ATOM 0 HB2 SER A 2 23.795 0.547 18.139 1.00 34.35 H new ATOM 0 HB3 SER A 2 23.684 2.128 17.392 1.00 34.35 H new ATOM 0 HG SER A 2 22.449 1.995 19.354 1.00 11.02 H new ATOM 19 N GLY A 3 21.143 2.509 15.665 1.00 64.32 N ATOM 20 CA GLY A 3 20.617 3.539 14.769 1.00 12.01 C ATOM 21 C GLY A 3 19.162 3.241 14.392 1.00 44.30 C ATOM 22 O GLY A 3 18.539 2.339 14.966 1.00 31.31 O ATOM 0 H GLY A 3 20.706 2.522 16.587 1.00 64.32 H new ATOM 0 HA2 GLY A 3 20.680 4.514 15.252 1.00 12.01 H new ATOM 0 HA3 GLY A 3 21.228 3.590 13.868 1.00 12.01 H new ATOM 26 N ASN A 4 18.585 4.028 13.483 1.00 55.44 N ATOM 27 CA ASN A 4 17.208 3.874 13.012 1.00 45.43 C ATOM 28 C ASN A 4 17.119 4.407 11.587 1.00 11.43 C ATOM 29 O ASN A 4 17.052 5.624 11.398 1.00 11.11 O ATOM 30 CB ASN A 4 16.199 4.637 13.896 1.00 65.43 C ATOM 31 CG ASN A 4 15.631 3.795 15.025 1.00 35.31 C ATOM 32 OD1 ASN A 4 14.936 2.804 14.795 1.00 30.03 O ATOM 33 ND2 ASN A 4 15.866 4.176 16.265 1.00 63.35 N ATOM 0 H ASN A 4 19.073 4.808 13.044 1.00 55.44 H new ATOM 0 HA ASN A 4 16.953 2.815 13.057 1.00 45.43 H new ATOM 0 HB2 ASN A 4 16.688 5.515 14.318 1.00 65.43 H new ATOM 0 HB3 ASN A 4 15.380 4.996 13.273 1.00 65.43 H new ATOM 0 HD21 ASN A 4 15.471 3.649 17.044 1.00 63.35 H new ATOM 0 HD22 ASN A 4 16.443 4.998 16.445 1.00 63.35 H new ATOM 40 N SER A 5 17.106 3.517 10.595 1.00 2.14 N ATOM 41 CA SER A 5 17.010 3.864 9.182 1.00 61.45 C ATOM 42 C SER A 5 15.758 4.686 8.868 1.00 64.50 C ATOM 43 O SER A 5 15.829 5.551 8.002 1.00 41.15 O ATOM 44 CB SER A 5 16.984 2.582 8.346 1.00 33.15 C ATOM 45 OG SER A 5 18.128 1.792 8.603 1.00 12.14 O ATOM 0 H SER A 5 17.163 2.512 10.758 1.00 2.14 H new ATOM 0 HA SER A 5 17.880 4.473 8.936 1.00 61.45 H new ATOM 0 HB2 SER A 5 16.084 2.012 8.575 1.00 33.15 H new ATOM 0 HB3 SER A 5 16.941 2.834 7.286 1.00 33.15 H new ATOM 0 HG SER A 5 18.091 0.977 8.060 1.00 12.14 H new ATOM 51 N HIS A 6 14.631 4.405 9.540 1.00 5.34 N ATOM 52 CA HIS A 6 13.306 5.035 9.442 1.00 3.12 C ATOM 53 C HIS A 6 12.785 5.344 8.021 1.00 13.12 C ATOM 54 O HIS A 6 11.783 6.048 7.873 1.00 52.41 O ATOM 55 CB HIS A 6 13.249 6.253 10.384 1.00 5.30 C ATOM 56 CG HIS A 6 14.090 7.435 9.956 1.00 23.52 C ATOM 57 ND1 HIS A 6 15.439 7.610 10.183 1.00 74.42 N ATOM 58 CD2 HIS A 6 13.654 8.510 9.231 1.00 34.21 C ATOM 59 CE1 HIS A 6 15.810 8.749 9.578 1.00 71.41 C ATOM 60 NE2 HIS A 6 14.753 9.344 9.000 1.00 52.45 N ATOM 0 H HIS A 6 14.625 3.657 10.234 1.00 5.34 H new ATOM 0 HA HIS A 6 12.595 4.276 9.769 1.00 3.12 H new ATOM 0 HB2 HIS A 6 12.212 6.577 10.471 1.00 5.30 H new ATOM 0 HB3 HIS A 6 13.569 5.940 11.378 1.00 5.30 H new ATOM 0 HD1 HIS A 6 16.046 6.986 10.715 1.00 74.42 H new ATOM 0 HD2 HIS A 6 12.642 8.684 8.897 1.00 34.21 H new ATOM 0 HE1 HIS A 6 16.819 9.134 9.558 1.00 71.41 H new ATOM 68 N THR A 7 13.422 4.821 6.977 1.00 63.51 N ATOM 69 CA THR A 7 13.065 5.030 5.589 1.00 72.31 C ATOM 70 C THR A 7 11.804 4.234 5.237 1.00 11.33 C ATOM 71 O THR A 7 11.463 3.246 5.896 1.00 0.12 O ATOM 72 CB THR A 7 14.295 4.675 4.724 1.00 21.23 C ATOM 73 OG1 THR A 7 14.131 5.131 3.403 1.00 15.21 O ATOM 74 CG2 THR A 7 14.626 3.177 4.682 1.00 30.30 C ATOM 0 H THR A 7 14.235 4.215 7.087 1.00 63.51 H new ATOM 0 HA THR A 7 12.809 6.071 5.392 1.00 72.31 H new ATOM 0 HB THR A 7 15.129 5.180 5.210 1.00 21.23 H new ATOM 0 HG1 THR A 7 13.933 4.371 2.817 1.00 15.21 H new ATOM 0 HG21 THR A 7 15.502 3.015 4.054 1.00 30.30 H new ATOM 0 HG22 THR A 7 14.833 2.822 5.691 1.00 30.30 H new ATOM 0 HG23 THR A 7 13.778 2.628 4.271 1.00 30.30 H new ATOM 82 N THR A 8 11.101 4.682 4.203 1.00 61.34 N ATOM 83 CA THR A 8 9.887 4.075 3.687 1.00 34.44 C ATOM 84 C THR A 8 10.272 2.807 2.909 1.00 31.42 C ATOM 85 O THR A 8 11.288 2.829 2.203 1.00 63.31 O ATOM 86 CB THR A 8 9.194 5.068 2.722 1.00 50.04 C ATOM 87 OG1 THR A 8 9.915 6.280 2.584 1.00 70.35 O ATOM 88 CG2 THR A 8 7.792 5.435 3.181 1.00 23.42 C ATOM 0 H THR A 8 11.376 5.514 3.681 1.00 61.34 H new ATOM 0 HA THR A 8 9.211 3.827 4.506 1.00 34.44 H new ATOM 0 HB THR A 8 9.155 4.543 1.768 1.00 50.04 H new ATOM 0 HG1 THR A 8 9.441 6.874 1.965 1.00 70.35 H new ATOM 0 HG21 THR A 8 7.348 6.133 2.472 1.00 23.42 H new ATOM 0 HG22 THR A 8 7.180 4.535 3.236 1.00 23.42 H new ATOM 0 HG23 THR A 8 7.842 5.900 4.165 1.00 23.42 H new ATOM 96 N PRO A 9 9.447 1.743 2.912 1.00 32.31 N ATOM 97 CA PRO A 9 9.761 0.523 2.177 1.00 54.20 C ATOM 98 C PRO A 9 9.872 0.806 0.677 1.00 54.52 C ATOM 99 O PRO A 9 10.748 0.269 0.011 1.00 32.14 O ATOM 100 CB PRO A 9 8.642 -0.478 2.500 1.00 3.54 C ATOM 101 CG PRO A 9 7.509 0.383 3.056 1.00 3.34 C ATOM 102 CD PRO A 9 8.224 1.576 3.680 1.00 42.13 C ATOM 0 HA PRO A 9 10.727 0.113 2.472 1.00 54.20 H new ATOM 0 HB2 PRO A 9 8.327 -1.022 1.610 1.00 3.54 H new ATOM 0 HB3 PRO A 9 8.971 -1.220 3.228 1.00 3.54 H new ATOM 0 HG2 PRO A 9 6.823 0.696 2.269 1.00 3.34 H new ATOM 0 HG3 PRO A 9 6.920 -0.161 3.795 1.00 3.34 H new ATOM 0 HD2 PRO A 9 7.606 2.472 3.633 1.00 42.13 H new ATOM 0 HD3 PRO A 9 8.443 1.395 4.732 1.00 42.13 H new ATOM 110 N TRP A 10 9.029 1.706 0.163 1.00 60.11 N ATOM 111 CA TRP A 10 8.928 2.137 -1.219 1.00 10.21 C ATOM 112 C TRP A 10 10.223 2.751 -1.730 1.00 62.22 C ATOM 113 O TRP A 10 10.415 2.838 -2.938 1.00 44.13 O ATOM 114 CB TRP A 10 7.772 3.139 -1.328 1.00 4.13 C ATOM 115 CG TRP A 10 6.501 2.687 -0.674 1.00 3.11 C ATOM 116 CD1 TRP A 10 6.068 3.060 0.551 1.00 62.02 C ATOM 117 CD2 TRP A 10 5.472 1.796 -1.197 1.00 44.51 C ATOM 118 NE1 TRP A 10 4.877 2.429 0.834 1.00 12.14 N ATOM 119 CE2 TRP A 10 4.431 1.688 -0.231 1.00 60.23 C ATOM 120 CE3 TRP A 10 5.278 1.121 -2.418 1.00 0.42 C ATOM 121 CZ2 TRP A 10 3.257 0.965 -0.474 1.00 3.35 C ATOM 122 CZ3 TRP A 10 4.106 0.390 -2.676 1.00 42.31 C ATOM 123 CH2 TRP A 10 3.098 0.314 -1.704 1.00 14.24 C ATOM 0 H TRP A 10 8.350 2.185 0.755 1.00 60.11 H new ATOM 0 HA TRP A 10 8.736 1.265 -1.845 1.00 10.21 H new ATOM 0 HB2 TRP A 10 8.082 4.083 -0.880 1.00 4.13 H new ATOM 0 HB3 TRP A 10 7.575 3.335 -2.382 1.00 4.13 H new ATOM 0 HD1 TRP A 10 6.579 3.748 1.208 1.00 62.02 H new ATOM 0 HE1 TRP A 10 4.387 2.503 1.725 1.00 12.14 H new ATOM 0 HE3 TRP A 10 6.048 1.166 -3.174 1.00 0.42 H new ATOM 0 HZ2 TRP A 10 2.483 0.910 0.278 1.00 3.35 H new ATOM 0 HZ3 TRP A 10 3.981 -0.114 -3.623 1.00 42.31 H new ATOM 0 HH2 TRP A 10 2.197 -0.248 -1.904 1.00 14.24 H new ATOM 134 N THR A 11 11.106 3.206 -0.839 1.00 35.50 N ATOM 135 CA THR A 11 12.365 3.777 -1.305 1.00 43.15 C ATOM 136 C THR A 11 13.267 2.709 -1.939 1.00 61.11 C ATOM 137 O THR A 11 14.098 3.054 -2.780 1.00 2.32 O ATOM 138 CB THR A 11 13.131 4.466 -0.170 1.00 51.23 C ATOM 139 OG1 THR A 11 13.489 3.544 0.846 1.00 55.44 O ATOM 140 CG2 THR A 11 12.361 5.643 0.425 1.00 24.51 C ATOM 0 H THR A 11 10.979 3.191 0.173 1.00 35.50 H new ATOM 0 HA THR A 11 12.104 4.520 -2.059 1.00 43.15 H new ATOM 0 HB THR A 11 14.043 4.865 -0.614 1.00 51.23 H new ATOM 0 HG1 THR A 11 12.753 3.463 1.488 1.00 55.44 H new ATOM 0 HG21 THR A 11 12.948 6.095 1.224 1.00 24.51 H new ATOM 0 HG22 THR A 11 12.173 6.385 -0.351 1.00 24.51 H new ATOM 0 HG23 THR A 11 11.411 5.290 0.827 1.00 24.51 H new ATOM 148 N ASN A 12 13.138 1.435 -1.546 1.00 60.14 N ATOM 149 CA ASN A 12 13.961 0.344 -2.056 1.00 62.04 C ATOM 150 C ASN A 12 13.069 -0.699 -2.706 1.00 55.20 C ATOM 151 O ASN A 12 12.137 -1.158 -2.053 1.00 72.44 O ATOM 152 CB ASN A 12 14.725 -0.335 -0.912 1.00 63.21 C ATOM 153 CG ASN A 12 15.974 0.410 -0.485 1.00 3.13 C ATOM 154 OD1 ASN A 12 17.078 -0.095 -0.669 1.00 21.11 O ATOM 155 ND2 ASN A 12 15.837 1.584 0.109 1.00 55.21 N ATOM 0 H ASN A 12 12.449 1.135 -0.856 1.00 60.14 H new ATOM 0 HA ASN A 12 14.667 0.756 -2.777 1.00 62.04 H new ATOM 0 HB2 ASN A 12 14.061 -0.435 -0.053 1.00 63.21 H new ATOM 0 HB3 ASN A 12 15.002 -1.343 -1.220 1.00 63.21 H new ATOM 0 HD21 ASN A 12 16.661 2.094 0.427 1.00 55.21 H new ATOM 0 HD22 ASN A 12 14.907 1.980 0.249 1.00 55.21 H new ATOM 162 N PRO A 13 13.335 -1.144 -3.940 1.00 51.34 N ATOM 163 CA PRO A 13 12.497 -2.146 -4.582 1.00 12.43 C ATOM 164 C PRO A 13 12.556 -3.468 -3.818 1.00 33.55 C ATOM 165 O PRO A 13 11.527 -4.126 -3.667 1.00 1.54 O ATOM 166 CB PRO A 13 13.028 -2.272 -6.006 1.00 52.22 C ATOM 167 CG PRO A 13 14.478 -1.802 -5.895 1.00 14.33 C ATOM 168 CD PRO A 13 14.402 -0.719 -4.825 1.00 62.44 C ATOM 0 HA PRO A 13 11.445 -1.862 -4.590 1.00 12.43 H new ATOM 0 HB2 PRO A 13 12.966 -3.299 -6.367 1.00 52.22 H new ATOM 0 HB3 PRO A 13 12.459 -1.655 -6.702 1.00 52.22 H new ATOM 0 HG2 PRO A 13 15.145 -2.613 -5.603 1.00 14.33 H new ATOM 0 HG3 PRO A 13 14.849 -1.410 -6.842 1.00 14.33 H new ATOM 0 HD2 PRO A 13 15.347 -0.626 -4.289 1.00 62.44 H new ATOM 0 HD3 PRO A 13 14.187 0.255 -5.264 1.00 62.44 H new ATOM 176 N GLY A 14 13.726 -3.826 -3.279 1.00 23.13 N ATOM 177 CA GLY A 14 13.905 -5.055 -2.529 1.00 42.21 C ATOM 178 C GLY A 14 13.150 -5.055 -1.204 1.00 3.20 C ATOM 179 O GLY A 14 12.833 -6.123 -0.679 1.00 71.02 O ATOM 0 H GLY A 14 14.573 -3.263 -3.356 1.00 23.13 H new ATOM 0 HA2 GLY A 14 13.568 -5.897 -3.134 1.00 42.21 H new ATOM 0 HA3 GLY A 14 14.967 -5.206 -2.337 1.00 42.21 H new ATOM 183 N LEU A 15 12.882 -3.876 -0.639 1.00 11.15 N ATOM 184 CA LEU A 15 12.148 -3.760 0.614 1.00 62.14 C ATOM 185 C LEU A 15 10.660 -3.651 0.291 1.00 4.21 C ATOM 186 O LEU A 15 9.840 -4.236 0.992 1.00 60.35 O ATOM 187 CB LEU A 15 12.676 -2.564 1.413 1.00 54.25 C ATOM 188 CG LEU A 15 12.141 -2.443 2.852 1.00 2.13 C ATOM 189 CD1 LEU A 15 12.217 -3.744 3.660 1.00 75.32 C ATOM 190 CD2 LEU A 15 12.978 -1.371 3.566 1.00 61.32 C ATOM 0 H LEU A 15 13.168 -2.982 -1.038 1.00 11.15 H new ATOM 0 HA LEU A 15 12.292 -4.640 1.241 1.00 62.14 H new ATOM 0 HB2 LEU A 15 13.764 -2.626 1.452 1.00 54.25 H new ATOM 0 HB3 LEU A 15 12.428 -1.650 0.873 1.00 54.25 H new ATOM 0 HG LEU A 15 11.084 -2.186 2.788 1.00 2.13 H new ATOM 0 HD11 LEU A 15 11.821 -3.574 4.661 1.00 75.32 H new ATOM 0 HD12 LEU A 15 11.629 -4.516 3.163 1.00 75.32 H new ATOM 0 HD13 LEU A 15 13.255 -4.068 3.731 1.00 75.32 H new ATOM 0 HD21 LEU A 15 12.626 -1.258 4.591 1.00 61.32 H new ATOM 0 HD22 LEU A 15 14.026 -1.672 3.573 1.00 61.32 H new ATOM 0 HD23 LEU A 15 12.877 -0.421 3.041 1.00 61.32 H new ATOM 202 N ALA A 16 10.313 -2.955 -0.795 1.00 74.34 N ATOM 203 CA ALA A 16 8.950 -2.768 -1.255 1.00 33.12 C ATOM 204 C ALA A 16 8.338 -4.117 -1.628 1.00 33.22 C ATOM 205 O ALA A 16 7.240 -4.417 -1.171 1.00 11.01 O ATOM 206 CB ALA A 16 8.923 -1.811 -2.451 1.00 43.53 C ATOM 0 H ALA A 16 11.001 -2.495 -1.391 1.00 74.34 H new ATOM 0 HA ALA A 16 8.358 -2.328 -0.452 1.00 33.12 H new ATOM 0 HB1 ALA A 16 7.895 -1.678 -2.788 1.00 43.53 H new ATOM 0 HB2 ALA A 16 9.335 -0.846 -2.155 1.00 43.53 H new ATOM 0 HB3 ALA A 16 9.520 -2.226 -3.263 1.00 43.53 H new ATOM 212 N GLU A 17 9.036 -4.943 -2.415 1.00 70.02 N ATOM 213 CA GLU A 17 8.541 -6.254 -2.838 1.00 52.22 C ATOM 214 C GLU A 17 8.253 -7.159 -1.634 1.00 24.33 C ATOM 215 O GLU A 17 7.284 -7.922 -1.641 1.00 62.43 O ATOM 216 CB GLU A 17 9.520 -6.898 -3.844 1.00 53.11 C ATOM 217 CG GLU A 17 10.788 -7.487 -3.206 1.00 13.14 C ATOM 218 CD GLU A 17 11.807 -8.026 -4.211 1.00 54.33 C ATOM 219 OE1 GLU A 17 11.440 -8.549 -5.289 1.00 71.33 O ATOM 220 OE2 GLU A 17 13.021 -8.043 -3.901 1.00 31.23 O ATOM 0 H GLU A 17 9.963 -4.719 -2.777 1.00 70.02 H new ATOM 0 HA GLU A 17 7.589 -6.119 -3.351 1.00 52.22 H new ATOM 0 HB2 GLU A 17 8.999 -7.688 -4.385 1.00 53.11 H new ATOM 0 HB3 GLU A 17 9.812 -6.148 -4.579 1.00 53.11 H new ATOM 0 HG2 GLU A 17 11.266 -6.718 -2.599 1.00 13.14 H new ATOM 0 HG3 GLU A 17 10.500 -8.293 -2.531 1.00 13.14 H new ATOM 227 N ASN A 18 9.086 -7.067 -0.593 1.00 5.34 N ATOM 228 CA ASN A 18 8.952 -7.848 0.628 1.00 3.33 C ATOM 229 C ASN A 18 7.754 -7.334 1.421 1.00 42.54 C ATOM 230 O ASN A 18 6.877 -8.103 1.802 1.00 25.42 O ATOM 231 CB ASN A 18 10.243 -7.726 1.446 1.00 62.12 C ATOM 232 CG ASN A 18 10.169 -8.407 2.807 1.00 40.12 C ATOM 233 OD1 ASN A 18 9.321 -9.259 3.065 1.00 50.31 O ATOM 234 ND2 ASN A 18 11.058 -8.036 3.708 1.00 12.02 N ATOM 0 H ASN A 18 9.886 -6.434 -0.581 1.00 5.34 H new ATOM 0 HA ASN A 18 8.788 -8.899 0.391 1.00 3.33 H new ATOM 0 HB2 ASN A 18 11.066 -8.158 0.877 1.00 62.12 H new ATOM 0 HB3 ASN A 18 10.474 -6.670 1.589 1.00 62.12 H new ATOM 0 HD21 ASN A 18 11.049 -8.458 4.637 1.00 12.02 H new ATOM 0 HD22 ASN A 18 11.754 -7.328 3.476 1.00 12.02 H new ATOM 241 N PHE A 19 7.708 -6.021 1.651 1.00 61.21 N ATOM 242 CA PHE A 19 6.656 -5.324 2.373 1.00 32.55 C ATOM 243 C PHE A 19 5.290 -5.622 1.755 1.00 3.21 C ATOM 244 O PHE A 19 4.317 -5.876 2.472 1.00 62.31 O ATOM 245 CB PHE A 19 6.978 -3.824 2.329 1.00 23.32 C ATOM 246 CG PHE A 19 5.905 -2.916 2.880 1.00 75.42 C ATOM 247 CD1 PHE A 19 5.343 -1.920 2.057 1.00 41.44 C ATOM 248 CD2 PHE A 19 5.475 -3.059 4.214 1.00 64.21 C ATOM 249 CE1 PHE A 19 4.380 -1.046 2.587 1.00 24.20 C ATOM 250 CE2 PHE A 19 4.486 -2.206 4.727 1.00 12.42 C ATOM 251 CZ PHE A 19 3.944 -1.195 3.915 1.00 43.13 C ATOM 0 H PHE A 19 8.439 -5.391 1.322 1.00 61.21 H new ATOM 0 HA PHE A 19 6.612 -5.662 3.408 1.00 32.55 H new ATOM 0 HB2 PHE A 19 7.899 -3.651 2.886 1.00 23.32 H new ATOM 0 HB3 PHE A 19 7.174 -3.542 1.295 1.00 23.32 H new ATOM 0 HD1 PHE A 19 5.651 -1.829 1.026 1.00 41.44 H new ATOM 0 HD2 PHE A 19 5.906 -3.825 4.842 1.00 64.21 H new ATOM 0 HE1 PHE A 19 3.973 -0.257 1.972 1.00 24.20 H new ATOM 0 HE2 PHE A 19 4.142 -2.326 5.744 1.00 12.42 H new ATOM 0 HZ PHE A 19 3.191 -0.531 4.312 1.00 43.13 H new ATOM 261 N LEU A 20 5.211 -5.575 0.426 1.00 40.43 N ATOM 262 CA LEU A 20 4.001 -5.842 -0.332 1.00 0.12 C ATOM 263 C LEU A 20 3.626 -7.303 -0.164 1.00 42.02 C ATOM 264 O LEU A 20 2.483 -7.585 0.190 1.00 71.31 O ATOM 265 CB LEU A 20 4.210 -5.503 -1.815 1.00 63.34 C ATOM 266 CG LEU A 20 4.108 -3.993 -2.082 1.00 1.25 C ATOM 267 CD1 LEU A 20 4.754 -3.614 -3.417 1.00 75.04 C ATOM 268 CD2 LEU A 20 2.649 -3.517 -2.064 1.00 3.04 C ATOM 0 H LEU A 20 6.010 -5.344 -0.164 1.00 40.43 H new ATOM 0 HA LEU A 20 3.191 -5.216 0.042 1.00 0.12 H new ATOM 0 HB2 LEU A 20 5.188 -5.862 -2.134 1.00 63.34 H new ATOM 0 HB3 LEU A 20 3.467 -6.028 -2.415 1.00 63.34 H new ATOM 0 HG LEU A 20 4.650 -3.495 -1.278 1.00 1.25 H new ATOM 0 HD11 LEU A 20 4.663 -2.539 -3.573 1.00 75.04 H new ATOM 0 HD12 LEU A 20 5.808 -3.891 -3.403 1.00 75.04 H new ATOM 0 HD13 LEU A 20 4.251 -4.142 -4.227 1.00 75.04 H new ATOM 0 HD21 LEU A 20 2.614 -2.445 -2.256 1.00 3.04 H new ATOM 0 HD22 LEU A 20 2.085 -4.043 -2.835 1.00 3.04 H new ATOM 0 HD23 LEU A 20 2.210 -3.725 -1.088 1.00 3.04 H new ATOM 280 N ASN A 21 4.575 -8.225 -0.360 1.00 15.23 N ATOM 281 CA ASN A 21 4.275 -9.644 -0.221 1.00 21.24 C ATOM 282 C ASN A 21 3.774 -9.952 1.187 1.00 40.13 C ATOM 283 O ASN A 21 2.688 -10.496 1.325 1.00 20.53 O ATOM 284 CB ASN A 21 5.477 -10.518 -0.584 1.00 40.11 C ATOM 285 CG ASN A 21 5.170 -11.988 -0.318 1.00 15.14 C ATOM 286 OD1 ASN A 21 4.164 -12.520 -0.776 1.00 35.52 O ATOM 287 ND2 ASN A 21 6.003 -12.662 0.452 1.00 73.35 N ATOM 0 H ASN A 21 5.541 -8.014 -0.611 1.00 15.23 H new ATOM 0 HA ASN A 21 3.481 -9.884 -0.928 1.00 21.24 H new ATOM 0 HB2 ASN A 21 5.731 -10.378 -1.635 1.00 40.11 H new ATOM 0 HB3 ASN A 21 6.346 -10.211 -0.002 1.00 40.11 H new ATOM 0 HD21 ASN A 21 5.815 -13.640 0.674 1.00 73.35 H new ATOM 0 HD22 ASN A 21 6.835 -12.205 0.825 1.00 73.35 H new ATOM 294 N SER A 22 4.489 -9.551 2.240 1.00 40.12 N ATOM 295 CA SER A 22 4.080 -9.815 3.617 1.00 15.43 C ATOM 296 C SER A 22 2.688 -9.254 3.938 1.00 0.31 C ATOM 297 O SER A 22 1.984 -9.810 4.784 1.00 14.04 O ATOM 298 CB SER A 22 5.152 -9.306 4.584 1.00 11.43 C ATOM 299 OG SER A 22 5.707 -10.406 5.279 1.00 60.14 O ATOM 0 H SER A 22 5.366 -9.035 2.160 1.00 40.12 H new ATOM 0 HA SER A 22 3.990 -10.894 3.742 1.00 15.43 H new ATOM 0 HB2 SER A 22 5.931 -8.775 4.037 1.00 11.43 H new ATOM 0 HB3 SER A 22 4.717 -8.597 5.288 1.00 11.43 H new ATOM 0 HG SER A 22 5.047 -10.760 5.911 1.00 60.14 H new ATOM 305 N PHE A 23 2.287 -8.153 3.300 1.00 52.25 N ATOM 306 CA PHE A 23 0.971 -7.570 3.504 1.00 63.12 C ATOM 307 C PHE A 23 -0.056 -8.521 2.893 1.00 64.22 C ATOM 308 O PHE A 23 -0.969 -8.959 3.593 1.00 33.24 O ATOM 309 CB PHE A 23 0.935 -6.159 2.900 1.00 52.00 C ATOM 310 CG PHE A 23 -0.443 -5.633 2.565 1.00 14.11 C ATOM 311 CD1 PHE A 23 -0.815 -5.439 1.220 1.00 13.42 C ATOM 312 CD2 PHE A 23 -1.356 -5.347 3.596 1.00 41.25 C ATOM 313 CE1 PHE A 23 -2.098 -4.961 0.907 1.00 33.54 C ATOM 314 CE2 PHE A 23 -2.636 -4.863 3.281 1.00 1.31 C ATOM 315 CZ PHE A 23 -3.011 -4.675 1.937 1.00 61.32 C ATOM 0 H PHE A 23 2.867 -7.646 2.631 1.00 52.25 H new ATOM 0 HA PHE A 23 0.734 -7.451 4.561 1.00 63.12 H new ATOM 0 HB2 PHE A 23 1.408 -5.470 3.600 1.00 52.00 H new ATOM 0 HB3 PHE A 23 1.538 -6.155 1.992 1.00 52.00 H new ATOM 0 HD1 PHE A 23 -0.113 -5.658 0.429 1.00 13.42 H new ATOM 0 HD2 PHE A 23 -1.073 -5.499 4.627 1.00 41.25 H new ATOM 0 HE1 PHE A 23 -2.383 -4.813 -0.124 1.00 33.54 H new ATOM 0 HE2 PHE A 23 -3.335 -4.634 4.072 1.00 1.31 H new ATOM 0 HZ PHE A 23 -3.999 -4.311 1.698 1.00 61.32 H new ATOM 325 N LEU A 24 0.122 -8.870 1.618 1.00 52.53 N ATOM 326 CA LEU A 24 -0.745 -9.765 0.857 1.00 30.21 C ATOM 327 C LEU A 24 -0.890 -11.118 1.556 1.00 54.23 C ATOM 328 O LEU A 24 -2.002 -11.619 1.723 1.00 72.01 O ATOM 329 CB LEU A 24 -0.165 -9.954 -0.557 1.00 42.44 C ATOM 330 CG LEU A 24 -0.178 -8.672 -1.412 1.00 21.54 C ATOM 331 CD1 LEU A 24 0.720 -8.858 -2.635 1.00 45.51 C ATOM 332 CD2 LEU A 24 -1.588 -8.312 -1.870 1.00 73.11 C ATOM 0 H LEU A 24 0.906 -8.522 1.067 1.00 52.53 H new ATOM 0 HA LEU A 24 -1.737 -9.318 0.789 1.00 30.21 H new ATOM 0 HB2 LEU A 24 0.861 -10.313 -0.474 1.00 42.44 H new ATOM 0 HB3 LEU A 24 -0.733 -10.729 -1.072 1.00 42.44 H new ATOM 0 HG LEU A 24 0.195 -7.857 -0.792 1.00 21.54 H new ATOM 0 HD11 LEU A 24 0.708 -7.949 -3.237 1.00 45.51 H new ATOM 0 HD12 LEU A 24 1.740 -9.064 -2.310 1.00 45.51 H new ATOM 0 HD13 LEU A 24 0.354 -9.693 -3.232 1.00 45.51 H new ATOM 0 HD21 LEU A 24 -1.555 -7.403 -2.470 1.00 73.11 H new ATOM 0 HD22 LEU A 24 -1.995 -9.127 -2.469 1.00 73.11 H new ATOM 0 HD23 LEU A 24 -2.223 -8.149 -0.999 1.00 73.11 H new ATOM 344 N GLN A 25 0.228 -11.677 2.013 1.00 63.34 N ATOM 345 CA GLN A 25 0.328 -12.955 2.701 1.00 43.44 C ATOM 346 C GLN A 25 -0.665 -13.035 3.855 1.00 31.14 C ATOM 347 O GLN A 25 -1.328 -14.060 4.004 1.00 45.24 O ATOM 348 CB GLN A 25 1.771 -13.162 3.179 1.00 33.01 C ATOM 349 CG GLN A 25 2.744 -13.346 2.003 1.00 55.14 C ATOM 350 CD GLN A 25 3.092 -14.799 1.763 1.00 42.42 C ATOM 351 OE1 GLN A 25 2.408 -15.506 1.024 1.00 11.02 O ATOM 352 NE2 GLN A 25 4.136 -15.271 2.416 1.00 63.44 N ATOM 0 H GLN A 25 1.135 -11.224 1.906 1.00 63.34 H new ATOM 0 HA GLN A 25 0.072 -13.758 2.009 1.00 43.44 H new ATOM 0 HB2 GLN A 25 2.082 -12.305 3.777 1.00 33.01 H new ATOM 0 HB3 GLN A 25 1.816 -14.037 3.828 1.00 33.01 H new ATOM 0 HG2 GLN A 25 2.301 -12.928 1.099 1.00 55.14 H new ATOM 0 HG3 GLN A 25 3.657 -12.784 2.199 1.00 55.14 H new ATOM 0 HE21 GLN A 25 4.680 -14.656 3.020 1.00 63.44 H new ATOM 0 HE22 GLN A 25 4.399 -16.251 2.317 1.00 63.44 H new ATOM 361 N GLY A 26 -0.753 -12.006 4.707 1.00 50.04 N ATOM 362 CA GLY A 26 -1.698 -12.002 5.821 1.00 74.02 C ATOM 363 C GLY A 26 -3.086 -11.530 5.400 1.00 21.11 C ATOM 364 O GLY A 26 -4.088 -12.021 5.926 1.00 73.54 O ATOM 0 H GLY A 26 -0.178 -11.166 4.642 1.00 50.04 H new ATOM 0 HA2 GLY A 26 -1.769 -13.007 6.238 1.00 74.02 H new ATOM 0 HA3 GLY A 26 -1.321 -11.354 6.612 1.00 74.02 H new ATOM 368 N LEU A 27 -3.170 -10.593 4.457 1.00 40.51 N ATOM 369 CA LEU A 27 -4.427 -10.055 3.945 1.00 1.20 C ATOM 370 C LEU A 27 -5.304 -11.167 3.368 1.00 1.42 C ATOM 371 O LEU A 27 -6.522 -11.072 3.467 1.00 24.41 O ATOM 372 CB LEU A 27 -4.119 -9.042 2.837 1.00 61.44 C ATOM 373 CG LEU A 27 -5.340 -8.256 2.342 1.00 52.12 C ATOM 374 CD1 LEU A 27 -5.632 -7.083 3.280 1.00 35.11 C ATOM 375 CD2 LEU A 27 -5.060 -7.771 0.924 1.00 45.22 C ATOM 0 H LEU A 27 -2.347 -10.178 4.019 1.00 40.51 H new ATOM 0 HA LEU A 27 -4.962 -9.579 4.766 1.00 1.20 H new ATOM 0 HB2 LEU A 27 -3.372 -8.337 3.203 1.00 61.44 H new ATOM 0 HB3 LEU A 27 -3.674 -9.569 1.993 1.00 61.44 H new ATOM 0 HG LEU A 27 -6.222 -8.896 2.336 1.00 52.12 H new ATOM 0 HD11 LEU A 27 -6.501 -6.534 2.917 1.00 35.11 H new ATOM 0 HD12 LEU A 27 -5.834 -7.460 4.282 1.00 35.11 H new ATOM 0 HD13 LEU A 27 -4.769 -6.418 3.310 1.00 35.11 H new ATOM 0 HD21 LEU A 27 -5.918 -7.209 0.555 1.00 45.22 H new ATOM 0 HD22 LEU A 27 -4.180 -7.128 0.927 1.00 45.22 H new ATOM 0 HD23 LEU A 27 -4.881 -8.628 0.275 1.00 45.22 H new ATOM 387 N SER A 28 -4.689 -12.233 2.860 1.00 54.53 N ATOM 388 CA SER A 28 -5.330 -13.378 2.243 1.00 52.00 C ATOM 389 C SER A 28 -6.472 -14.001 3.051 1.00 52.03 C ATOM 390 O SER A 28 -7.480 -14.409 2.471 1.00 42.54 O ATOM 391 CB SER A 28 -4.234 -14.417 1.983 1.00 1.35 C ATOM 392 OG SER A 28 -3.704 -14.905 3.204 1.00 63.13 O ATOM 0 H SER A 28 -3.673 -12.320 2.872 1.00 54.53 H new ATOM 0 HA SER A 28 -5.811 -13.033 1.328 1.00 52.00 H new ATOM 0 HB2 SER A 28 -4.641 -15.244 1.402 1.00 1.35 H new ATOM 0 HB3 SER A 28 -3.437 -13.971 1.388 1.00 1.35 H new ATOM 0 HG SER A 28 -2.953 -14.341 3.484 1.00 63.13 H new ATOM 398 N SER A 29 -6.321 -14.083 4.374 1.00 30.23 N ATOM 399 CA SER A 29 -7.306 -14.660 5.279 1.00 22.20 C ATOM 400 C SER A 29 -8.150 -13.583 5.963 1.00 0.21 C ATOM 401 O SER A 29 -9.069 -13.897 6.725 1.00 64.23 O ATOM 402 CB SER A 29 -6.545 -15.507 6.305 1.00 23.13 C ATOM 403 OG SER A 29 -7.398 -16.429 6.951 1.00 21.21 O ATOM 0 H SER A 29 -5.489 -13.740 4.854 1.00 30.23 H new ATOM 0 HA SER A 29 -8.008 -15.279 4.719 1.00 22.20 H new ATOM 0 HB2 SER A 29 -5.737 -16.044 5.808 1.00 23.13 H new ATOM 0 HB3 SER A 29 -6.084 -14.855 7.047 1.00 23.13 H new ATOM 0 HG SER A 29 -8.242 -15.988 7.181 1.00 21.21 H new ATOM 409 N MET A 30 -7.835 -12.304 5.760 1.00 65.13 N ATOM 410 CA MET A 30 -8.578 -11.226 6.382 1.00 1.05 C ATOM 411 C MET A 30 -9.937 -11.072 5.704 1.00 23.13 C ATOM 412 O MET A 30 -10.078 -11.351 4.516 1.00 34.44 O ATOM 413 CB MET A 30 -7.761 -9.928 6.352 1.00 63.45 C ATOM 414 CG MET A 30 -6.590 -10.061 7.327 1.00 74.25 C ATOM 415 SD MET A 30 -7.072 -10.080 9.069 1.00 20.25 S ATOM 416 CE MET A 30 -7.383 -8.321 9.312 1.00 21.45 C ATOM 0 H MET A 30 -7.066 -11.996 5.166 1.00 65.13 H new ATOM 0 HA MET A 30 -8.760 -11.465 7.430 1.00 1.05 H new ATOM 0 HB2 MET A 30 -7.393 -9.737 5.344 1.00 63.45 H new ATOM 0 HB3 MET A 30 -8.388 -9.081 6.629 1.00 63.45 H new ATOM 0 HG2 MET A 30 -6.047 -10.979 7.102 1.00 74.25 H new ATOM 0 HG3 MET A 30 -5.899 -9.234 7.162 1.00 74.25 H new ATOM 0 HE1 MET A 30 -7.238 -8.068 10.362 1.00 21.45 H new ATOM 0 HE2 MET A 30 -6.692 -7.741 8.700 1.00 21.45 H new ATOM 0 HE3 MET A 30 -8.407 -8.089 9.020 1.00 21.45 H new ATOM 426 N PRO A 31 -10.939 -10.536 6.414 1.00 60.23 N ATOM 427 CA PRO A 31 -12.288 -10.346 5.883 1.00 72.31 C ATOM 428 C PRO A 31 -12.413 -9.166 4.908 1.00 72.05 C ATOM 429 O PRO A 31 -13.500 -8.612 4.713 1.00 21.40 O ATOM 430 CB PRO A 31 -13.139 -10.167 7.130 1.00 74.41 C ATOM 431 CG PRO A 31 -12.209 -9.528 8.152 1.00 3.14 C ATOM 432 CD PRO A 31 -10.867 -10.164 7.821 1.00 21.12 C ATOM 0 HA PRO A 31 -12.602 -11.191 5.270 1.00 72.31 H new ATOM 0 HB2 PRO A 31 -14.003 -9.532 6.931 1.00 74.41 H new ATOM 0 HB3 PRO A 31 -13.522 -11.123 7.488 1.00 74.41 H new ATOM 0 HG2 PRO A 31 -12.180 -8.443 8.051 1.00 3.14 H new ATOM 0 HG3 PRO A 31 -12.519 -9.745 9.174 1.00 3.14 H new ATOM 0 HD2 PRO A 31 -10.049 -9.466 7.999 1.00 21.12 H new ATOM 0 HD3 PRO A 31 -10.683 -11.037 8.447 1.00 21.12 H new ATOM 440 N GLY A 32 -11.293 -8.726 4.350 1.00 4.25 N ATOM 441 CA GLY A 32 -11.213 -7.621 3.419 1.00 42.11 C ATOM 442 C GLY A 32 -11.120 -8.083 1.971 1.00 22.14 C ATOM 443 O GLY A 32 -12.062 -7.892 1.206 1.00 31.34 O ATOM 0 H GLY A 32 -10.385 -9.148 4.544 1.00 4.25 H new ATOM 0 HA2 GLY A 32 -12.090 -6.985 3.538 1.00 42.11 H new ATOM 0 HA3 GLY A 32 -10.342 -7.011 3.659 1.00 42.11 H new ATOM 447 N PHE A 33 -9.966 -8.621 1.572 1.00 53.41 N ATOM 448 CA PHE A 33 -9.735 -9.113 0.219 1.00 54.23 C ATOM 449 C PHE A 33 -9.635 -10.630 0.290 1.00 64.21 C ATOM 450 O PHE A 33 -8.886 -11.144 1.117 1.00 65.21 O ATOM 451 CB PHE A 33 -8.436 -8.530 -0.345 1.00 70.22 C ATOM 452 CG PHE A 33 -8.442 -7.038 -0.605 1.00 15.42 C ATOM 453 CD1 PHE A 33 -8.392 -6.114 0.459 1.00 32.40 C ATOM 454 CD2 PHE A 33 -8.456 -6.565 -1.931 1.00 32.53 C ATOM 455 CE1 PHE A 33 -8.389 -4.741 0.179 1.00 5.33 C ATOM 456 CE2 PHE A 33 -8.452 -5.187 -2.193 1.00 32.24 C ATOM 457 CZ PHE A 33 -8.435 -4.268 -1.138 1.00 51.44 C ATOM 0 H PHE A 33 -9.160 -8.727 2.188 1.00 53.41 H new ATOM 0 HA PHE A 33 -10.552 -8.812 -0.437 1.00 54.23 H new ATOM 0 HB2 PHE A 33 -7.627 -8.755 0.350 1.00 70.22 H new ATOM 0 HB3 PHE A 33 -8.206 -9.042 -1.279 1.00 70.22 H new ATOM 0 HD1 PHE A 33 -8.356 -6.462 1.481 1.00 32.40 H new ATOM 0 HD2 PHE A 33 -8.470 -7.267 -2.751 1.00 32.53 H new ATOM 0 HE1 PHE A 33 -8.350 -4.034 0.995 1.00 5.33 H new ATOM 0 HE2 PHE A 33 -8.462 -4.834 -3.214 1.00 32.24 H new ATOM 0 HZ PHE A 33 -8.457 -3.207 -1.337 1.00 51.44 H new ATOM 467 N THR A 34 -10.379 -11.340 -0.552 1.00 40.44 N ATOM 468 CA THR A 34 -10.372 -12.793 -0.594 1.00 30.00 C ATOM 469 C THR A 34 -9.265 -13.297 -1.534 1.00 74.03 C ATOM 470 O THR A 34 -8.670 -12.505 -2.265 1.00 43.14 O ATOM 471 CB THR A 34 -11.766 -13.253 -1.028 1.00 61.50 C ATOM 472 OG1 THR A 34 -12.148 -12.656 -2.252 1.00 4.54 O ATOM 473 CG2 THR A 34 -12.836 -12.911 0.016 1.00 40.30 C ATOM 0 H THR A 34 -11.010 -10.915 -1.231 1.00 40.44 H new ATOM 0 HA THR A 34 -10.151 -13.213 0.387 1.00 30.00 H new ATOM 0 HB THR A 34 -11.701 -14.335 -1.141 1.00 61.50 H new ATOM 0 HG1 THR A 34 -13.041 -12.970 -2.504 1.00 4.54 H new ATOM 0 HG21 THR A 34 -13.809 -13.256 -0.334 1.00 40.30 H new ATOM 0 HG22 THR A 34 -12.595 -13.402 0.959 1.00 40.30 H new ATOM 0 HG23 THR A 34 -12.866 -11.832 0.166 1.00 40.30 H new ATOM 481 N ALA A 35 -9.018 -14.613 -1.580 1.00 52.01 N ATOM 482 CA ALA A 35 -7.985 -15.229 -2.416 1.00 63.13 C ATOM 483 C ALA A 35 -8.028 -14.794 -3.884 1.00 2.32 C ATOM 484 O ALA A 35 -6.986 -14.470 -4.455 1.00 73.32 O ATOM 485 CB ALA A 35 -8.109 -16.749 -2.349 1.00 2.14 C ATOM 0 H ALA A 35 -9.542 -15.290 -1.026 1.00 52.01 H new ATOM 0 HA ALA A 35 -7.031 -14.888 -2.013 1.00 63.13 H new ATOM 0 HB1 ALA A 35 -7.339 -17.205 -2.972 1.00 2.14 H new ATOM 0 HB2 ALA A 35 -7.984 -17.079 -1.318 1.00 2.14 H new ATOM 0 HB3 ALA A 35 -9.093 -17.050 -2.709 1.00 2.14 H new ATOM 491 N SER A 36 -9.213 -14.772 -4.496 1.00 4.35 N ATOM 492 CA SER A 36 -9.362 -14.377 -5.891 1.00 22.54 C ATOM 493 C SER A 36 -8.943 -12.910 -6.085 1.00 32.13 C ATOM 494 O SER A 36 -8.364 -12.565 -7.113 1.00 14.31 O ATOM 495 CB SER A 36 -10.803 -14.651 -6.336 1.00 72.51 C ATOM 496 OG SER A 36 -11.219 -15.953 -5.920 1.00 54.51 O ATOM 0 H SER A 36 -10.089 -15.026 -4.039 1.00 4.35 H new ATOM 0 HA SER A 36 -8.700 -14.967 -6.524 1.00 22.54 H new ATOM 0 HB2 SER A 36 -11.469 -13.898 -5.914 1.00 72.51 H new ATOM 0 HB3 SER A 36 -10.876 -14.569 -7.420 1.00 72.51 H new ATOM 0 HG SER A 36 -12.142 -16.110 -6.211 1.00 54.51 H new ATOM 502 N GLN A 37 -9.218 -12.038 -5.107 1.00 74.53 N ATOM 503 CA GLN A 37 -8.848 -10.629 -5.175 1.00 42.14 C ATOM 504 C GLN A 37 -7.338 -10.481 -4.926 1.00 61.32 C ATOM 505 O GLN A 37 -6.691 -9.631 -5.532 1.00 55.33 O ATOM 506 CB GLN A 37 -9.657 -9.810 -4.147 1.00 14.12 C ATOM 507 CG GLN A 37 -11.192 -9.845 -4.311 1.00 54.42 C ATOM 508 CD GLN A 37 -11.679 -9.018 -5.502 1.00 3.11 C ATOM 509 OE1 GLN A 37 -11.174 -9.142 -6.609 1.00 32.45 O ATOM 510 NE2 GLN A 37 -12.660 -8.144 -5.335 1.00 40.02 N ATOM 0 H GLN A 37 -9.704 -12.295 -4.248 1.00 74.53 H new ATOM 0 HA GLN A 37 -9.080 -10.244 -6.168 1.00 42.14 H new ATOM 0 HB2 GLN A 37 -9.410 -10.171 -3.149 1.00 14.12 H new ATOM 0 HB3 GLN A 37 -9.329 -8.772 -4.200 1.00 14.12 H new ATOM 0 HG2 GLN A 37 -11.516 -10.878 -4.435 1.00 54.42 H new ATOM 0 HG3 GLN A 37 -11.659 -9.471 -3.400 1.00 54.42 H new ATOM 0 HE21 GLN A 37 -13.091 -8.030 -4.417 1.00 40.02 H new ATOM 0 HE22 GLN A 37 -12.985 -7.585 -6.124 1.00 40.02 H new ATOM 519 N LEU A 38 -6.759 -11.310 -4.048 1.00 11.33 N ATOM 520 CA LEU A 38 -5.341 -11.298 -3.704 1.00 2.32 C ATOM 521 C LEU A 38 -4.451 -11.589 -4.898 1.00 11.52 C ATOM 522 O LEU A 38 -3.373 -11.008 -4.977 1.00 0.54 O ATOM 523 CB LEU A 38 -5.026 -12.357 -2.620 1.00 4.44 C ATOM 524 CG LEU A 38 -4.880 -11.843 -1.185 1.00 21.22 C ATOM 525 CD1 LEU A 38 -3.814 -10.760 -1.089 1.00 73.41 C ATOM 526 CD2 LEU A 38 -6.203 -11.338 -0.623 1.00 1.44 C ATOM 0 H LEU A 38 -7.284 -12.026 -3.546 1.00 11.33 H new ATOM 0 HA LEU A 38 -5.134 -10.292 -3.337 1.00 2.32 H new ATOM 0 HB2 LEU A 38 -5.817 -13.107 -2.635 1.00 4.44 H new ATOM 0 HB3 LEU A 38 -4.102 -12.864 -2.897 1.00 4.44 H new ATOM 0 HG LEU A 38 -4.564 -12.692 -0.579 1.00 21.22 H new ATOM 0 HD11 LEU A 38 -3.736 -10.417 -0.057 1.00 73.41 H new ATOM 0 HD12 LEU A 38 -2.854 -11.165 -1.411 1.00 73.41 H new ATOM 0 HD13 LEU A 38 -4.088 -9.922 -1.730 1.00 73.41 H new ATOM 0 HD21 LEU A 38 -6.053 -10.983 0.397 1.00 1.44 H new ATOM 0 HD22 LEU A 38 -6.573 -10.520 -1.242 1.00 1.44 H new ATOM 0 HD23 LEU A 38 -6.931 -12.149 -0.621 1.00 1.44 H new ATOM 538 N ASP A 39 -4.878 -12.477 -5.793 1.00 62.32 N ATOM 539 CA ASP A 39 -4.098 -12.841 -6.971 1.00 43.34 C ATOM 540 C ASP A 39 -3.846 -11.598 -7.826 1.00 53.32 C ATOM 541 O ASP A 39 -2.704 -11.284 -8.176 1.00 40.01 O ATOM 542 CB ASP A 39 -4.815 -13.946 -7.751 1.00 13.05 C ATOM 543 CG ASP A 39 -3.798 -14.841 -8.444 1.00 63.41 C ATOM 544 OD1 ASP A 39 -3.334 -14.511 -9.557 1.00 75.33 O ATOM 545 OD2 ASP A 39 -3.473 -15.906 -7.859 1.00 74.41 O ATOM 0 H ASP A 39 -5.772 -12.963 -5.721 1.00 62.32 H new ATOM 0 HA ASP A 39 -3.128 -13.235 -6.669 1.00 43.34 H new ATOM 0 HB2 ASP A 39 -5.431 -14.538 -7.074 1.00 13.05 H new ATOM 0 HB3 ASP A 39 -5.485 -13.505 -8.489 1.00 13.05 H new ATOM 550 N ASP A 40 -4.920 -10.848 -8.101 1.00 5.30 N ATOM 551 CA ASP A 40 -4.863 -9.617 -8.884 1.00 43.32 C ATOM 552 C ASP A 40 -4.007 -8.602 -8.124 1.00 54.11 C ATOM 553 O ASP A 40 -3.081 -8.015 -8.681 1.00 20.34 O ATOM 554 CB ASP A 40 -6.273 -9.071 -9.160 1.00 64.33 C ATOM 555 CG ASP A 40 -6.255 -8.152 -10.383 1.00 31.21 C ATOM 556 OD1 ASP A 40 -6.667 -8.613 -11.470 1.00 31.35 O ATOM 557 OD2 ASP A 40 -5.748 -7.011 -10.307 1.00 64.13 O ATOM 0 H ASP A 40 -5.859 -11.084 -7.781 1.00 5.30 H new ATOM 0 HA ASP A 40 -4.411 -9.817 -9.856 1.00 43.32 H new ATOM 0 HB2 ASP A 40 -6.964 -9.897 -9.327 1.00 64.33 H new ATOM 0 HB3 ASP A 40 -6.635 -8.523 -8.290 1.00 64.33 H new ATOM 562 N LEU A 41 -4.244 -8.462 -6.812 1.00 61.33 N ATOM 563 CA LEU A 41 -3.501 -7.546 -5.948 1.00 74.41 C ATOM 564 C LEU A 41 -1.996 -7.831 -5.973 1.00 64.33 C ATOM 565 O LEU A 41 -1.203 -6.893 -5.848 1.00 11.23 O ATOM 566 CB LEU A 41 -4.053 -7.563 -4.512 1.00 51.32 C ATOM 567 CG LEU A 41 -4.924 -6.361 -4.110 1.00 25.02 C ATOM 568 CD1 LEU A 41 -4.168 -5.026 -4.154 1.00 40.10 C ATOM 569 CD2 LEU A 41 -6.204 -6.266 -4.937 1.00 10.15 C ATOM 0 H LEU A 41 -4.965 -8.989 -6.320 1.00 61.33 H new ATOM 0 HA LEU A 41 -3.642 -6.541 -6.346 1.00 74.41 H new ATOM 0 HB2 LEU A 41 -4.640 -8.472 -4.380 1.00 51.32 H new ATOM 0 HB3 LEU A 41 -3.212 -7.624 -3.821 1.00 51.32 H new ATOM 0 HG LEU A 41 -5.199 -6.549 -3.072 1.00 25.02 H new ATOM 0 HD11 LEU A 41 -4.838 -4.218 -3.860 1.00 40.10 H new ATOM 0 HD12 LEU A 41 -3.322 -5.064 -3.467 1.00 40.10 H new ATOM 0 HD13 LEU A 41 -3.806 -4.846 -5.166 1.00 40.10 H new ATOM 0 HD21 LEU A 41 -6.783 -5.401 -4.614 1.00 10.15 H new ATOM 0 HD22 LEU A 41 -5.949 -6.158 -5.991 1.00 10.15 H new ATOM 0 HD23 LEU A 41 -6.795 -7.171 -4.797 1.00 10.15 H new ATOM 581 N SER A 42 -1.596 -9.096 -6.127 1.00 73.11 N ATOM 582 CA SER A 42 -0.202 -9.503 -6.193 1.00 1.32 C ATOM 583 C SER A 42 0.385 -8.969 -7.508 1.00 2.52 C ATOM 584 O SER A 42 1.501 -8.445 -7.508 1.00 22.31 O ATOM 585 CB SER A 42 -0.104 -11.026 -6.004 1.00 73.52 C ATOM 586 OG SER A 42 1.144 -11.414 -5.449 1.00 63.53 O ATOM 0 H SER A 42 -2.249 -9.875 -6.210 1.00 73.11 H new ATOM 0 HA SER A 42 0.398 -9.079 -5.388 1.00 1.32 H new ATOM 0 HB2 SER A 42 -0.911 -11.363 -5.353 1.00 73.52 H new ATOM 0 HB3 SER A 42 -0.243 -11.520 -6.966 1.00 73.52 H new ATOM 0 HG SER A 42 1.166 -12.388 -5.343 1.00 63.53 H new ATOM 592 N THR A 43 -0.355 -9.057 -8.620 1.00 72.25 N ATOM 593 CA THR A 43 0.103 -8.539 -9.905 1.00 24.13 C ATOM 594 C THR A 43 0.275 -7.021 -9.763 1.00 15.40 C ATOM 595 O THR A 43 1.344 -6.502 -10.089 1.00 55.31 O ATOM 596 CB THR A 43 -0.900 -8.880 -11.022 1.00 54.22 C ATOM 597 OG1 THR A 43 -0.956 -10.277 -11.257 1.00 22.32 O ATOM 598 CG2 THR A 43 -0.519 -8.242 -12.363 1.00 43.20 C ATOM 0 H THR A 43 -1.280 -9.486 -8.650 1.00 72.25 H new ATOM 0 HA THR A 43 1.052 -8.998 -10.180 1.00 24.13 H new ATOM 0 HB THR A 43 -1.857 -8.493 -10.672 1.00 54.22 H new ATOM 0 HG1 THR A 43 -1.602 -10.463 -11.970 1.00 22.32 H new ATOM 0 HG21 THR A 43 -1.258 -8.513 -13.118 1.00 43.20 H new ATOM 0 HG22 THR A 43 -0.491 -7.158 -12.255 1.00 43.20 H new ATOM 0 HG23 THR A 43 0.463 -8.601 -12.671 1.00 43.20 H new ATOM 606 N ILE A 44 -0.747 -6.319 -9.254 1.00 74.32 N ATOM 607 CA ILE A 44 -0.754 -4.870 -9.059 1.00 42.24 C ATOM 608 C ILE A 44 0.505 -4.450 -8.289 1.00 43.53 C ATOM 609 O ILE A 44 1.196 -3.514 -8.700 1.00 23.53 O ATOM 610 CB ILE A 44 -2.059 -4.439 -8.338 1.00 74.31 C ATOM 611 CG1 ILE A 44 -3.315 -4.733 -9.192 1.00 33.21 C ATOM 612 CG2 ILE A 44 -2.041 -2.936 -7.992 1.00 61.10 C ATOM 613 CD1 ILE A 44 -4.640 -4.661 -8.418 1.00 13.12 C ATOM 0 H ILE A 44 -1.617 -6.762 -8.959 1.00 74.32 H new ATOM 0 HA ILE A 44 -0.736 -4.361 -10.023 1.00 42.24 H new ATOM 0 HB ILE A 44 -2.106 -5.026 -7.421 1.00 74.31 H new ATOM 0 HG12 ILE A 44 -3.352 -4.023 -10.018 1.00 33.21 H new ATOM 0 HG13 ILE A 44 -3.217 -5.727 -9.630 1.00 33.21 H new ATOM 0 HG21 ILE A 44 -2.969 -2.668 -7.488 1.00 61.10 H new ATOM 0 HG22 ILE A 44 -1.197 -2.724 -7.335 1.00 61.10 H new ATOM 0 HG23 ILE A 44 -1.944 -2.353 -8.908 1.00 61.10 H new ATOM 0 HD11 ILE A 44 -5.468 -4.880 -9.092 1.00 13.12 H new ATOM 0 HD12 ILE A 44 -4.629 -5.391 -7.608 1.00 13.12 H new ATOM 0 HD13 ILE A 44 -4.765 -3.661 -8.003 1.00 13.12 H new ATOM 625 N ALA A 45 0.806 -5.130 -7.180 1.00 73.24 N ATOM 626 CA ALA A 45 1.960 -4.847 -6.342 1.00 43.14 C ATOM 627 C ALA A 45 3.266 -4.929 -7.137 1.00 11.42 C ATOM 628 O ALA A 45 4.077 -4.000 -7.076 1.00 63.04 O ATOM 629 CB ALA A 45 1.959 -5.837 -5.172 1.00 41.22 C ATOM 0 H ALA A 45 0.240 -5.906 -6.838 1.00 73.24 H new ATOM 0 HA ALA A 45 1.893 -3.827 -5.963 1.00 43.14 H new ATOM 0 HB1 ALA A 45 2.818 -5.642 -4.530 1.00 41.22 H new ATOM 0 HB2 ALA A 45 1.041 -5.719 -4.596 1.00 41.22 H new ATOM 0 HB3 ALA A 45 2.017 -6.855 -5.557 1.00 41.22 H new ATOM 635 N GLN A 46 3.474 -6.010 -7.893 1.00 70.05 N ATOM 636 CA GLN A 46 4.674 -6.191 -8.691 1.00 44.34 C ATOM 637 C GLN A 46 4.833 -5.087 -9.744 1.00 41.42 C ATOM 638 O GLN A 46 5.965 -4.734 -10.092 1.00 75.24 O ATOM 639 CB GLN A 46 4.655 -7.588 -9.314 1.00 74.14 C ATOM 640 CG GLN A 46 4.903 -8.675 -8.257 1.00 43.41 C ATOM 641 CD GLN A 46 5.249 -10.009 -8.908 1.00 10.42 C ATOM 642 OE1 GLN A 46 4.475 -10.564 -9.681 1.00 45.21 O ATOM 643 NE2 GLN A 46 6.411 -10.562 -8.607 1.00 44.11 N ATOM 0 H GLN A 46 2.810 -6.781 -7.964 1.00 70.05 H new ATOM 0 HA GLN A 46 5.547 -6.109 -8.044 1.00 44.34 H new ATOM 0 HB2 GLN A 46 3.693 -7.760 -9.797 1.00 74.14 H new ATOM 0 HB3 GLN A 46 5.417 -7.652 -10.091 1.00 74.14 H new ATOM 0 HG2 GLN A 46 5.715 -8.367 -7.599 1.00 43.41 H new ATOM 0 HG3 GLN A 46 4.015 -8.790 -7.635 1.00 43.41 H new ATOM 0 HE21 GLN A 46 7.048 -10.092 -7.963 1.00 44.11 H new ATOM 0 HE22 GLN A 46 6.671 -11.458 -9.019 1.00 44.11 H new ATOM 652 N SER A 47 3.736 -4.511 -10.246 1.00 30.30 N ATOM 653 CA SER A 47 3.810 -3.437 -11.227 1.00 4.13 C ATOM 654 C SER A 47 4.465 -2.215 -10.579 1.00 70.32 C ATOM 655 O SER A 47 5.318 -1.586 -11.208 1.00 20.45 O ATOM 656 CB SER A 47 2.417 -3.086 -11.744 1.00 64.32 C ATOM 657 OG SER A 47 1.793 -4.240 -12.267 1.00 21.30 O ATOM 0 H SER A 47 2.786 -4.775 -9.985 1.00 30.30 H new ATOM 0 HA SER A 47 4.410 -3.763 -12.077 1.00 4.13 H new ATOM 0 HB2 SER A 47 1.814 -2.670 -10.937 1.00 64.32 H new ATOM 0 HB3 SER A 47 2.489 -2.319 -12.516 1.00 64.32 H new ATOM 0 HG SER A 47 1.566 -4.850 -11.534 1.00 21.30 H new ATOM 663 N LEU A 48 4.087 -1.891 -9.334 1.00 14.41 N ATOM 664 CA LEU A 48 4.648 -0.758 -8.605 1.00 64.24 C ATOM 665 C LEU A 48 6.126 -1.021 -8.311 1.00 70.20 C ATOM 666 O LEU A 48 6.935 -0.104 -8.432 1.00 64.23 O ATOM 667 CB LEU A 48 3.902 -0.485 -7.283 1.00 10.02 C ATOM 668 CG LEU A 48 2.653 0.405 -7.410 1.00 45.45 C ATOM 669 CD1 LEU A 48 1.428 -0.322 -7.962 1.00 52.12 C ATOM 670 CD2 LEU A 48 2.289 1.003 -6.046 1.00 42.15 C ATOM 0 H LEU A 48 3.383 -2.411 -8.809 1.00 14.41 H new ATOM 0 HA LEU A 48 4.536 0.125 -9.234 1.00 64.24 H new ATOM 0 HB2 LEU A 48 3.606 -1.439 -6.847 1.00 10.02 H new ATOM 0 HB3 LEU A 48 4.594 -0.016 -6.584 1.00 10.02 H new ATOM 0 HG LEU A 48 2.920 1.183 -8.125 1.00 45.45 H new ATOM 0 HD11 LEU A 48 0.589 0.372 -8.022 1.00 52.12 H new ATOM 0 HD12 LEU A 48 1.651 -0.708 -8.957 1.00 52.12 H new ATOM 0 HD13 LEU A 48 1.168 -1.150 -7.302 1.00 52.12 H new ATOM 0 HD21 LEU A 48 1.404 1.631 -6.148 1.00 42.15 H new ATOM 0 HD22 LEU A 48 2.084 0.199 -5.339 1.00 42.15 H new ATOM 0 HD23 LEU A 48 3.120 1.605 -5.679 1.00 42.15 H new ATOM 682 N VAL A 49 6.496 -2.246 -7.909 1.00 34.31 N ATOM 683 CA VAL A 49 7.886 -2.604 -7.607 1.00 24.54 C ATOM 684 C VAL A 49 8.784 -2.279 -8.808 1.00 3.34 C ATOM 685 O VAL A 49 9.844 -1.681 -8.614 1.00 64.34 O ATOM 686 CB VAL A 49 7.979 -4.075 -7.139 1.00 1.02 C ATOM 687 CG1 VAL A 49 9.423 -4.590 -7.031 1.00 42.35 C ATOM 688 CG2 VAL A 49 7.321 -4.257 -5.768 1.00 72.12 C ATOM 0 H VAL A 49 5.838 -3.015 -7.785 1.00 34.31 H new ATOM 0 HA VAL A 49 8.253 -2.003 -6.775 1.00 24.54 H new ATOM 0 HB VAL A 49 7.459 -4.650 -7.905 1.00 1.02 H new ATOM 0 HG11 VAL A 49 9.415 -5.628 -6.698 1.00 42.35 H new ATOM 0 HG12 VAL A 49 9.906 -4.525 -8.006 1.00 42.35 H new ATOM 0 HG13 VAL A 49 9.973 -3.982 -6.312 1.00 42.35 H new ATOM 0 HG21 VAL A 49 7.400 -5.300 -5.462 1.00 72.12 H new ATOM 0 HG22 VAL A 49 7.824 -3.625 -5.036 1.00 72.12 H new ATOM 0 HG23 VAL A 49 6.270 -3.975 -5.829 1.00 72.12 H new ATOM 698 N GLN A 50 8.361 -2.607 -10.032 1.00 24.44 N ATOM 699 CA GLN A 50 9.136 -2.324 -11.241 1.00 30.04 C ATOM 700 C GLN A 50 9.371 -0.811 -11.367 1.00 1.23 C ATOM 701 O GLN A 50 10.491 -0.377 -11.646 1.00 33.12 O ATOM 702 CB GLN A 50 8.425 -2.935 -12.459 1.00 44.32 C ATOM 703 CG GLN A 50 8.619 -4.458 -12.474 1.00 1.43 C ATOM 704 CD GLN A 50 7.644 -5.170 -13.401 1.00 53.23 C ATOM 705 OE1 GLN A 50 7.913 -5.404 -14.580 1.00 73.43 O ATOM 706 NE2 GLN A 50 6.495 -5.556 -12.873 1.00 64.01 N ATOM 0 H GLN A 50 7.473 -3.075 -10.212 1.00 24.44 H new ATOM 0 HA GLN A 50 10.121 -2.787 -11.184 1.00 30.04 H new ATOM 0 HB2 GLN A 50 7.362 -2.696 -12.427 1.00 44.32 H new ATOM 0 HB3 GLN A 50 8.822 -2.501 -13.377 1.00 44.32 H new ATOM 0 HG2 GLN A 50 9.639 -4.686 -12.783 1.00 1.43 H new ATOM 0 HG3 GLN A 50 8.499 -4.845 -11.462 1.00 1.43 H new ATOM 0 HE21 GLN A 50 6.290 -5.353 -11.895 1.00 64.01 H new ATOM 0 HE22 GLN A 50 5.814 -6.057 -13.444 1.00 64.01 H new ATOM 715 N SER A 51 8.356 0.019 -11.094 1.00 25.25 N ATOM 716 CA SER A 51 8.501 1.471 -11.170 1.00 31.10 C ATOM 717 C SER A 51 9.546 1.972 -10.161 1.00 55.52 C ATOM 718 O SER A 51 10.179 3.019 -10.389 1.00 23.30 O ATOM 719 CB SER A 51 7.148 2.144 -10.924 1.00 45.53 C ATOM 720 OG SER A 51 6.112 1.544 -11.681 1.00 1.24 O ATOM 0 H SER A 51 7.425 -0.295 -10.818 1.00 25.25 H new ATOM 0 HA SER A 51 8.849 1.733 -12.169 1.00 31.10 H new ATOM 0 HB2 SER A 51 6.902 2.087 -9.864 1.00 45.53 H new ATOM 0 HB3 SER A 51 7.217 3.202 -11.179 1.00 45.53 H new ATOM 0 HG SER A 51 5.265 2.000 -11.495 1.00 1.24 H new ATOM 726 N ILE A 52 9.710 1.291 -9.024 1.00 73.10 N ATOM 727 CA ILE A 52 10.686 1.641 -8.001 1.00 34.31 C ATOM 728 C ILE A 52 12.059 1.217 -8.542 1.00 71.41 C ATOM 729 O ILE A 52 12.962 2.044 -8.540 1.00 2.22 O ATOM 730 CB ILE A 52 10.328 1.035 -6.619 1.00 54.45 C ATOM 731 CG1 ILE A 52 8.947 1.546 -6.157 1.00 42.13 C ATOM 732 CG2 ILE A 52 11.355 1.420 -5.543 1.00 4.53 C ATOM 733 CD1 ILE A 52 8.409 0.773 -4.955 1.00 42.12 C ATOM 0 H ILE A 52 9.156 0.467 -8.789 1.00 73.10 H new ATOM 0 HA ILE A 52 10.694 2.714 -7.808 1.00 34.31 H new ATOM 0 HB ILE A 52 10.323 -0.048 -6.740 1.00 54.45 H new ATOM 0 HG12 ILE A 52 9.021 2.603 -5.901 1.00 42.13 H new ATOM 0 HG13 ILE A 52 8.239 1.467 -6.982 1.00 42.13 H new ATOM 0 HG21 ILE A 52 11.068 0.976 -4.590 1.00 4.53 H new ATOM 0 HG22 ILE A 52 12.340 1.053 -5.832 1.00 4.53 H new ATOM 0 HG23 ILE A 52 11.387 2.505 -5.442 1.00 4.53 H new ATOM 0 HD11 ILE A 52 7.436 1.173 -4.671 1.00 42.12 H new ATOM 0 HD12 ILE A 52 8.306 -0.280 -5.216 1.00 42.12 H new ATOM 0 HD13 ILE A 52 9.101 0.874 -4.118 1.00 42.12 H new ATOM 745 N GLN A 53 12.197 -0.022 -9.057 1.00 62.44 N ATOM 746 CA GLN A 53 13.455 -0.546 -9.613 1.00 54.01 C ATOM 747 C GLN A 53 14.044 0.413 -10.642 1.00 51.33 C ATOM 748 O GLN A 53 15.252 0.661 -10.627 1.00 41.12 O ATOM 749 CB GLN A 53 13.266 -1.939 -10.251 1.00 50.42 C ATOM 750 CG GLN A 53 13.057 -3.065 -9.231 1.00 44.34 C ATOM 751 CD GLN A 53 12.817 -4.425 -9.886 1.00 3.53 C ATOM 752 OE1 GLN A 53 12.039 -4.544 -10.828 1.00 74.53 O ATOM 753 NE2 GLN A 53 13.456 -5.485 -9.426 1.00 11.13 N ATOM 0 H GLN A 53 11.428 -0.691 -9.098 1.00 62.44 H new ATOM 0 HA GLN A 53 14.149 -0.643 -8.778 1.00 54.01 H new ATOM 0 HB2 GLN A 53 12.409 -1.907 -10.923 1.00 50.42 H new ATOM 0 HB3 GLN A 53 14.140 -2.171 -10.860 1.00 50.42 H new ATOM 0 HG2 GLN A 53 13.932 -3.129 -8.584 1.00 44.34 H new ATOM 0 HG3 GLN A 53 12.207 -2.819 -8.595 1.00 44.34 H new ATOM 0 HE21 GLN A 53 14.103 -5.390 -8.643 1.00 11.13 H new ATOM 0 HE22 GLN A 53 13.302 -6.398 -9.853 1.00 11.13 H new ATOM 762 N SER A 54 13.211 1.012 -11.490 1.00 33.23 N ATOM 763 CA SER A 54 13.642 1.954 -12.508 1.00 60.14 C ATOM 764 C SER A 54 14.492 3.085 -11.926 1.00 75.34 C ATOM 765 O SER A 54 15.597 3.303 -12.415 1.00 31.01 O ATOM 766 CB SER A 54 12.432 2.483 -13.270 1.00 21.03 C ATOM 767 OG SER A 54 11.846 1.437 -14.016 1.00 52.20 O ATOM 0 H SER A 54 12.204 0.851 -11.485 1.00 33.23 H new ATOM 0 HA SER A 54 14.287 1.426 -13.210 1.00 60.14 H new ATOM 0 HB2 SER A 54 11.704 2.898 -12.573 1.00 21.03 H new ATOM 0 HB3 SER A 54 12.734 3.292 -13.935 1.00 21.03 H new ATOM 0 HG SER A 54 11.400 0.811 -13.408 1.00 52.20 H new ATOM 773 N LEU A 55 13.986 3.833 -10.942 1.00 11.23 N ATOM 774 CA LEU A 55 14.733 4.933 -10.328 1.00 3.14 C ATOM 775 C LEU A 55 15.785 4.427 -9.343 1.00 43.40 C ATOM 776 O LEU A 55 16.842 5.046 -9.202 1.00 3.35 O ATOM 777 CB LEU A 55 13.793 5.951 -9.664 1.00 73.51 C ATOM 778 CG LEU A 55 13.083 6.926 -10.624 1.00 50.33 C ATOM 779 CD1 LEU A 55 14.078 7.778 -11.424 1.00 31.44 C ATOM 780 CD2 LEU A 55 12.095 6.255 -11.583 1.00 62.40 C ATOM 0 H LEU A 55 13.054 3.695 -10.551 1.00 11.23 H new ATOM 0 HA LEU A 55 15.262 5.446 -11.131 1.00 3.14 H new ATOM 0 HB2 LEU A 55 13.035 5.406 -9.102 1.00 73.51 H new ATOM 0 HB3 LEU A 55 14.367 6.533 -8.943 1.00 73.51 H new ATOM 0 HG LEU A 55 12.502 7.572 -9.966 1.00 50.33 H new ATOM 0 HD11 LEU A 55 13.532 8.449 -12.086 1.00 31.44 H new ATOM 0 HD12 LEU A 55 14.690 8.364 -10.738 1.00 31.44 H new ATOM 0 HD13 LEU A 55 14.720 7.127 -12.017 1.00 31.44 H new ATOM 0 HD21 LEU A 55 11.639 7.010 -12.223 1.00 62.40 H new ATOM 0 HD22 LEU A 55 12.623 5.528 -12.199 1.00 62.40 H new ATOM 0 HD23 LEU A 55 11.318 5.749 -11.010 1.00 62.40 H new ATOM 792 N ALA A 56 15.525 3.301 -8.670 1.00 53.12 N ATOM 793 CA ALA A 56 16.437 2.695 -7.705 1.00 72.12 C ATOM 794 C ALA A 56 17.797 2.402 -8.342 1.00 22.41 C ATOM 795 O ALA A 56 18.809 2.445 -7.649 1.00 51.13 O ATOM 796 CB ALA A 56 15.818 1.438 -7.107 1.00 71.31 C ATOM 0 H ALA A 56 14.657 2.778 -8.786 1.00 53.12 H new ATOM 0 HA ALA A 56 16.605 3.406 -6.896 1.00 72.12 H new ATOM 0 HB1 ALA A 56 16.510 0.998 -6.389 1.00 71.31 H new ATOM 0 HB2 ALA A 56 14.887 1.696 -6.602 1.00 71.31 H new ATOM 0 HB3 ALA A 56 15.613 0.720 -7.901 1.00 71.31 H new ATOM 802 N ALA A 57 17.829 2.155 -9.657 1.00 4.13 N ATOM 803 CA ALA A 57 19.037 1.895 -10.433 1.00 53.10 C ATOM 804 C ALA A 57 20.030 3.072 -10.350 1.00 40.12 C ATOM 805 O ALA A 57 21.221 2.909 -10.626 1.00 12.22 O ATOM 806 CB ALA A 57 18.609 1.684 -11.887 1.00 54.14 C ATOM 0 H ALA A 57 16.982 2.131 -10.225 1.00 4.13 H new ATOM 0 HA ALA A 57 19.544 1.016 -10.034 1.00 53.10 H new ATOM 0 HB1 ALA A 57 19.488 1.486 -12.500 1.00 54.14 H new ATOM 0 HB2 ALA A 57 17.927 0.836 -11.946 1.00 54.14 H new ATOM 0 HB3 ALA A 57 18.106 2.580 -12.252 1.00 54.14 H new ATOM 812 N GLN A 58 19.540 4.266 -10.007 1.00 0.42 N ATOM 813 CA GLN A 58 20.298 5.503 -9.857 1.00 12.34 C ATOM 814 C GLN A 58 20.280 5.970 -8.392 1.00 14.45 C ATOM 815 O GLN A 58 21.140 6.744 -7.973 1.00 45.43 O ATOM 816 CB GLN A 58 19.690 6.574 -10.779 1.00 24.12 C ATOM 817 CG GLN A 58 19.709 6.163 -12.263 1.00 30.21 C ATOM 818 CD GLN A 58 19.129 7.230 -13.191 1.00 1.24 C ATOM 819 OE1 GLN A 58 18.388 8.123 -12.779 1.00 71.42 O ATOM 820 NE2 GLN A 58 19.430 7.164 -14.473 1.00 60.42 N ATOM 0 H GLN A 58 18.547 4.399 -9.817 1.00 0.42 H new ATOM 0 HA GLN A 58 21.337 5.333 -10.138 1.00 12.34 H new ATOM 0 HB2 GLN A 58 18.662 6.769 -10.474 1.00 24.12 H new ATOM 0 HB3 GLN A 58 20.241 7.507 -10.658 1.00 24.12 H new ATOM 0 HG2 GLN A 58 20.736 5.950 -12.561 1.00 30.21 H new ATOM 0 HG3 GLN A 58 19.144 5.239 -12.385 1.00 30.21 H new ATOM 0 HE21 GLN A 58 20.044 6.425 -14.815 1.00 60.42 H new ATOM 0 HE22 GLN A 58 19.049 7.852 -15.122 1.00 60.42 H new ATOM 829 N GLY A 59 19.309 5.512 -7.594 1.00 3.55 N ATOM 830 CA GLY A 59 19.152 5.863 -6.187 1.00 54.40 C ATOM 831 C GLY A 59 18.603 7.279 -5.978 1.00 12.14 C ATOM 832 O GLY A 59 18.628 7.786 -4.850 1.00 52.14 O ATOM 0 H GLY A 59 18.591 4.867 -7.924 1.00 3.55 H new ATOM 0 HA2 GLY A 59 18.482 5.146 -5.713 1.00 54.40 H new ATOM 0 HA3 GLY A 59 20.117 5.776 -5.687 1.00 54.40 H new ATOM 836 N ARG A 60 18.121 7.932 -7.043 1.00 54.32 N ATOM 837 CA ARG A 60 17.579 9.287 -7.021 1.00 44.52 C ATOM 838 C ARG A 60 16.104 9.253 -7.401 1.00 62.34 C ATOM 839 O ARG A 60 15.772 9.436 -8.575 1.00 42.51 O ATOM 840 CB ARG A 60 18.379 10.210 -7.969 1.00 4.04 C ATOM 841 CG ARG A 60 19.898 10.286 -7.747 1.00 74.44 C ATOM 842 CD ARG A 60 20.349 10.550 -6.308 1.00 72.45 C ATOM 843 NE ARG A 60 19.852 11.817 -5.756 1.00 33.53 N ATOM 844 CZ ARG A 60 20.201 12.343 -4.575 1.00 34.44 C ATOM 845 NH1 ARG A 60 20.994 11.681 -3.738 1.00 62.44 N ATOM 846 NH2 ARG A 60 19.740 13.538 -4.240 1.00 54.53 N ATOM 0 H ARG A 60 18.099 7.513 -7.973 1.00 54.32 H new ATOM 0 HA ARG A 60 17.670 9.693 -6.014 1.00 44.52 H new ATOM 0 HB2 ARG A 60 18.202 9.880 -8.993 1.00 4.04 H new ATOM 0 HB3 ARG A 60 17.973 11.218 -7.884 1.00 4.04 H new ATOM 0 HG2 ARG A 60 20.342 9.348 -8.081 1.00 74.44 H new ATOM 0 HG3 ARG A 60 20.300 11.074 -8.384 1.00 74.44 H new ATOM 0 HD2 ARG A 60 20.010 9.730 -5.674 1.00 72.45 H new ATOM 0 HD3 ARG A 60 21.438 10.551 -6.273 1.00 72.45 H new ATOM 0 HE ARG A 60 19.184 12.341 -6.321 1.00 33.53 H new ATOM 0 HH11 ARG A 60 21.346 10.758 -3.992 1.00 62.44 H new ATOM 0 HH12 ARG A 60 21.250 12.096 -2.842 1.00 62.44 H new ATOM 0 HH21 ARG A 60 19.127 14.046 -4.878 1.00 54.53 H new ATOM 0 HH22 ARG A 60 19.997 13.951 -3.344 1.00 54.53 H new ATOM 860 N THR A 61 15.221 8.984 -6.443 1.00 53.13 N ATOM 861 CA THR A 61 13.784 8.946 -6.690 1.00 71.13 C ATOM 862 C THR A 61 13.206 10.250 -6.142 1.00 64.13 C ATOM 863 O THR A 61 13.396 10.570 -4.966 1.00 43.32 O ATOM 864 CB THR A 61 13.127 7.689 -6.092 1.00 72.14 C ATOM 865 OG1 THR A 61 13.900 6.544 -6.397 1.00 73.14 O ATOM 866 CG2 THR A 61 11.743 7.483 -6.717 1.00 50.13 C ATOM 0 H THR A 61 15.481 8.787 -5.477 1.00 53.13 H new ATOM 0 HA THR A 61 13.574 8.873 -7.757 1.00 71.13 H new ATOM 0 HB THR A 61 13.052 7.825 -5.013 1.00 72.14 H new ATOM 0 HG1 THR A 61 13.475 5.750 -6.011 1.00 73.14 H new ATOM 0 HG21 THR A 61 11.281 6.592 -6.292 1.00 50.13 H new ATOM 0 HG22 THR A 61 11.117 8.351 -6.510 1.00 50.13 H new ATOM 0 HG23 THR A 61 11.845 7.359 -7.795 1.00 50.13 H new ATOM 874 N SER A 62 12.566 11.030 -7.012 1.00 32.12 N ATOM 875 CA SER A 62 11.944 12.303 -6.684 1.00 72.23 C ATOM 876 C SER A 62 10.896 12.076 -5.589 1.00 32.44 C ATOM 877 O SER A 62 10.159 11.086 -5.664 1.00 44.32 O ATOM 878 CB SER A 62 11.332 12.862 -7.974 1.00 45.23 C ATOM 879 OG SER A 62 10.469 13.968 -7.789 1.00 21.31 O ATOM 0 H SER A 62 12.465 10.781 -7.996 1.00 32.12 H new ATOM 0 HA SER A 62 12.663 13.026 -6.298 1.00 72.23 H new ATOM 0 HB2 SER A 62 12.139 13.157 -8.645 1.00 45.23 H new ATOM 0 HB3 SER A 62 10.778 12.066 -8.472 1.00 45.23 H new ATOM 0 HG SER A 62 10.124 14.263 -8.658 1.00 21.31 H new ATOM 885 N PRO A 63 10.775 12.985 -4.605 1.00 70.24 N ATOM 886 CA PRO A 63 9.815 12.844 -3.523 1.00 51.23 C ATOM 887 C PRO A 63 8.390 12.908 -4.052 1.00 72.00 C ATOM 888 O PRO A 63 7.580 12.064 -3.698 1.00 32.42 O ATOM 889 CB PRO A 63 10.117 13.979 -2.546 1.00 1.44 C ATOM 890 CG PRO A 63 10.788 15.039 -3.421 1.00 31.54 C ATOM 891 CD PRO A 63 11.569 14.188 -4.418 1.00 34.55 C ATOM 0 HA PRO A 63 9.901 11.877 -3.027 1.00 51.23 H new ATOM 0 HB2 PRO A 63 9.208 14.360 -2.081 1.00 1.44 H new ATOM 0 HB3 PRO A 63 10.773 13.650 -1.740 1.00 1.44 H new ATOM 0 HG2 PRO A 63 10.058 15.679 -3.916 1.00 31.54 H new ATOM 0 HG3 PRO A 63 11.442 15.690 -2.842 1.00 31.54 H new ATOM 0 HD2 PRO A 63 11.709 14.717 -5.361 1.00 34.55 H new ATOM 0 HD3 PRO A 63 12.562 13.948 -4.037 1.00 34.55 H new ATOM 899 N ASN A 64 8.085 13.861 -4.940 1.00 14.11 N ATOM 900 CA ASN A 64 6.742 13.999 -5.497 1.00 14.21 C ATOM 901 C ASN A 64 6.333 12.715 -6.221 1.00 42.31 C ATOM 902 O ASN A 64 5.209 12.246 -6.065 1.00 23.24 O ATOM 903 CB ASN A 64 6.655 15.215 -6.430 1.00 0.13 C ATOM 904 CG ASN A 64 6.744 16.516 -5.654 1.00 2.30 C ATOM 905 OD1 ASN A 64 5.783 16.920 -5.000 1.00 32.14 O ATOM 906 ND2 ASN A 64 7.881 17.189 -5.693 1.00 44.23 N ATOM 0 H ASN A 64 8.755 14.548 -5.287 1.00 14.11 H new ATOM 0 HA ASN A 64 6.044 14.165 -4.677 1.00 14.21 H new ATOM 0 HB2 ASN A 64 7.460 15.171 -7.163 1.00 0.13 H new ATOM 0 HB3 ASN A 64 5.717 15.184 -6.984 1.00 0.13 H new ATOM 0 HD21 ASN A 64 7.975 18.062 -5.174 1.00 44.23 H new ATOM 0 HD22 ASN A 64 8.665 16.835 -6.242 1.00 44.23 H new ATOM 913 N LYS A 65 7.254 12.133 -6.998 1.00 51.21 N ATOM 914 CA LYS A 65 7.020 10.900 -7.742 1.00 12.33 C ATOM 915 C LYS A 65 6.812 9.735 -6.780 1.00 51.31 C ATOM 916 O LYS A 65 5.845 8.992 -6.934 1.00 41.10 O ATOM 917 CB LYS A 65 8.204 10.658 -8.690 1.00 60.03 C ATOM 918 CG LYS A 65 8.206 9.269 -9.353 1.00 3.22 C ATOM 919 CD LYS A 65 9.139 9.235 -10.575 1.00 41.01 C ATOM 920 CE LYS A 65 8.461 9.869 -11.798 1.00 15.45 C ATOM 921 NZ LYS A 65 9.420 10.470 -12.749 1.00 62.54 N ATOM 0 H LYS A 65 8.192 12.513 -7.126 1.00 51.21 H new ATOM 0 HA LYS A 65 6.113 10.987 -8.340 1.00 12.33 H new ATOM 0 HB2 LYS A 65 8.193 11.420 -9.469 1.00 60.03 H new ATOM 0 HB3 LYS A 65 9.133 10.784 -8.133 1.00 60.03 H new ATOM 0 HG2 LYS A 65 8.524 8.519 -8.629 1.00 3.22 H new ATOM 0 HG3 LYS A 65 7.193 9.008 -9.659 1.00 3.22 H new ATOM 0 HD2 LYS A 65 10.062 9.769 -10.348 1.00 41.01 H new ATOM 0 HD3 LYS A 65 9.414 8.204 -10.800 1.00 41.01 H new ATOM 0 HE2 LYS A 65 7.874 9.109 -12.315 1.00 15.45 H new ATOM 0 HE3 LYS A 65 7.763 10.636 -11.462 1.00 15.45 H new ATOM 0 HZ1 LYS A 65 8.902 10.881 -13.552 1.00 62.54 H new ATOM 0 HZ2 LYS A 65 9.963 11.216 -12.269 1.00 62.54 H new ATOM 0 HZ3 LYS A 65 10.071 9.737 -13.096 1.00 62.54 H new ATOM 935 N LEU A 66 7.709 9.548 -5.810 1.00 5.03 N ATOM 936 CA LEU A 66 7.596 8.451 -4.857 1.00 30.13 C ATOM 937 C LEU A 66 6.322 8.594 -4.020 1.00 64.43 C ATOM 938 O LEU A 66 5.607 7.611 -3.843 1.00 2.13 O ATOM 939 CB LEU A 66 8.874 8.341 -4.010 1.00 4.50 C ATOM 940 CG LEU A 66 8.969 6.990 -3.271 1.00 12.03 C ATOM 941 CD1 LEU A 66 9.358 5.837 -4.206 1.00 31.11 C ATOM 942 CD2 LEU A 66 9.995 7.039 -2.136 1.00 51.30 C ATOM 0 H LEU A 66 8.523 10.146 -5.667 1.00 5.03 H new ATOM 0 HA LEU A 66 7.503 7.509 -5.397 1.00 30.13 H new ATOM 0 HB2 LEU A 66 9.746 8.464 -4.653 1.00 4.50 H new ATOM 0 HB3 LEU A 66 8.897 9.153 -3.283 1.00 4.50 H new ATOM 0 HG LEU A 66 7.972 6.809 -2.870 1.00 12.03 H new ATOM 0 HD11 LEU A 66 9.411 4.909 -3.637 1.00 31.11 H new ATOM 0 HD12 LEU A 66 8.610 5.738 -4.992 1.00 31.11 H new ATOM 0 HD13 LEU A 66 10.330 6.044 -4.654 1.00 31.11 H new ATOM 0 HD21 LEU A 66 10.034 6.070 -1.639 1.00 51.30 H new ATOM 0 HD22 LEU A 66 10.977 7.278 -2.544 1.00 51.30 H new ATOM 0 HD23 LEU A 66 9.705 7.805 -1.416 1.00 51.30 H new ATOM 954 N GLN A 67 5.989 9.799 -3.551 1.00 62.54 N ATOM 955 CA GLN A 67 4.786 10.042 -2.765 1.00 54.52 C ATOM 956 C GLN A 67 3.555 9.773 -3.637 1.00 21.23 C ATOM 957 O GLN A 67 2.567 9.240 -3.141 1.00 21.02 O ATOM 958 CB GLN A 67 4.784 11.470 -2.198 1.00 10.12 C ATOM 959 CG GLN A 67 3.732 11.667 -1.090 1.00 52.43 C ATOM 960 CD GLN A 67 4.196 11.266 0.314 1.00 4.25 C ATOM 961 OE1 GLN A 67 5.150 10.513 0.504 1.00 21.31 O ATOM 962 NE2 GLN A 67 3.565 11.803 1.347 1.00 50.54 N ATOM 0 H GLN A 67 6.552 10.635 -3.709 1.00 62.54 H new ATOM 0 HA GLN A 67 4.762 9.364 -1.912 1.00 54.52 H new ATOM 0 HB2 GLN A 67 5.772 11.700 -1.800 1.00 10.12 H new ATOM 0 HB3 GLN A 67 4.593 12.177 -3.005 1.00 10.12 H new ATOM 0 HG2 GLN A 67 3.434 12.715 -1.073 1.00 52.43 H new ATOM 0 HG3 GLN A 67 2.844 11.087 -1.344 1.00 52.43 H new ATOM 0 HE21 GLN A 67 2.774 12.428 1.193 1.00 50.54 H new ATOM 0 HE22 GLN A 67 3.870 11.592 2.297 1.00 50.54 H new ATOM 971 N ALA A 68 3.592 10.087 -4.940 1.00 34.40 N ATOM 972 CA ALA A 68 2.457 9.821 -5.819 1.00 0.54 C ATOM 973 C ALA A 68 2.174 8.314 -5.862 1.00 41.20 C ATOM 974 O ALA A 68 1.024 7.919 -6.056 1.00 62.23 O ATOM 975 CB ALA A 68 2.675 10.404 -7.213 1.00 25.40 C ATOM 0 H ALA A 68 4.391 10.522 -5.401 1.00 34.40 H new ATOM 0 HA ALA A 68 1.577 10.321 -5.414 1.00 0.54 H new ATOM 0 HB1 ALA A 68 1.809 10.186 -7.838 1.00 25.40 H new ATOM 0 HB2 ALA A 68 2.806 11.484 -7.139 1.00 25.40 H new ATOM 0 HB3 ALA A 68 3.565 9.960 -7.658 1.00 25.40 H new ATOM 981 N LEU A 69 3.189 7.459 -5.653 1.00 10.44 N ATOM 982 CA LEU A 69 2.989 6.014 -5.634 1.00 31.44 C ATOM 983 C LEU A 69 2.077 5.651 -4.457 1.00 73.32 C ATOM 984 O LEU A 69 1.443 4.600 -4.510 1.00 32.34 O ATOM 985 CB LEU A 69 4.289 5.191 -5.570 1.00 1.44 C ATOM 986 CG LEU A 69 5.270 5.375 -6.742 1.00 33.02 C ATOM 987 CD1 LEU A 69 6.459 4.425 -6.557 1.00 65.45 C ATOM 988 CD2 LEU A 69 4.623 5.097 -8.107 1.00 1.04 C ATOM 0 H LEU A 69 4.154 7.751 -5.496 1.00 10.44 H new ATOM 0 HA LEU A 69 2.527 5.752 -6.586 1.00 31.44 H new ATOM 0 HB2 LEU A 69 4.809 5.443 -4.646 1.00 1.44 H new ATOM 0 HB3 LEU A 69 4.023 4.136 -5.508 1.00 1.44 H new ATOM 0 HG LEU A 69 5.590 6.417 -6.734 1.00 33.02 H new ATOM 0 HD11 LEU A 69 7.157 4.551 -7.384 1.00 65.45 H new ATOM 0 HD12 LEU A 69 6.964 4.653 -5.618 1.00 65.45 H new ATOM 0 HD13 LEU A 69 6.102 3.395 -6.537 1.00 65.45 H new ATOM 0 HD21 LEU A 69 5.361 5.242 -8.896 1.00 1.04 H new ATOM 0 HD22 LEU A 69 4.259 4.070 -8.135 1.00 1.04 H new ATOM 0 HD23 LEU A 69 3.789 5.781 -8.260 1.00 1.04 H new ATOM 1000 N ASN A 70 2.032 6.444 -3.374 1.00 31.12 N ATOM 1001 CA ASN A 70 1.158 6.168 -2.233 1.00 62.44 C ATOM 1002 C ASN A 70 -0.279 6.302 -2.731 1.00 32.02 C ATOM 1003 O ASN A 70 -1.095 5.406 -2.508 1.00 60.40 O ATOM 1004 CB ASN A 70 1.372 7.122 -1.039 1.00 73.25 C ATOM 1005 CG ASN A 70 2.699 6.964 -0.310 1.00 1.34 C ATOM 1006 OD1 ASN A 70 3.480 7.901 -0.208 1.00 10.11 O ATOM 1007 ND2 ASN A 70 2.954 5.797 0.259 1.00 44.13 N ATOM 0 H ASN A 70 2.597 7.287 -3.269 1.00 31.12 H new ATOM 0 HA ASN A 70 1.387 5.169 -1.862 1.00 62.44 H new ATOM 0 HB2 ASN A 70 1.293 8.149 -1.397 1.00 73.25 H new ATOM 0 HB3 ASN A 70 0.563 6.970 -0.324 1.00 73.25 H new ATOM 0 HD21 ASN A 70 3.813 5.667 0.793 1.00 44.13 H new ATOM 0 HD22 ASN A 70 2.291 5.027 0.163 1.00 44.13 H new ATOM 1014 N MET A 71 -0.595 7.411 -3.404 1.00 51.11 N ATOM 1015 CA MET A 71 -1.920 7.679 -3.953 1.00 13.02 C ATOM 1016 C MET A 71 -2.265 6.567 -4.949 1.00 42.44 C ATOM 1017 O MET A 71 -3.332 5.966 -4.852 1.00 22.33 O ATOM 1018 CB MET A 71 -1.969 9.070 -4.613 1.00 52.14 C ATOM 1019 CG MET A 71 -1.969 10.249 -3.631 1.00 22.33 C ATOM 1020 SD MET A 71 -0.521 10.441 -2.547 1.00 62.24 S ATOM 1021 CE MET A 71 0.214 11.915 -3.300 1.00 63.42 C ATOM 0 H MET A 71 0.076 8.158 -3.584 1.00 51.11 H new ATOM 0 HA MET A 71 -2.661 7.686 -3.154 1.00 13.02 H new ATOM 0 HB2 MET A 71 -1.112 9.171 -5.280 1.00 52.14 H new ATOM 0 HB3 MET A 71 -2.864 9.131 -5.232 1.00 52.14 H new ATOM 0 HG2 MET A 71 -2.081 11.167 -4.208 1.00 22.33 H new ATOM 0 HG3 MET A 71 -2.853 10.160 -2.999 1.00 22.33 H new ATOM 0 HE1 MET A 71 1.265 11.982 -3.018 1.00 63.42 H new ATOM 0 HE2 MET A 71 0.133 11.848 -4.385 1.00 63.42 H new ATOM 0 HE3 MET A 71 -0.313 12.803 -2.951 1.00 63.42 H new ATOM 1031 N ALA A 72 -1.345 6.238 -5.866 1.00 11.31 N ATOM 1032 CA ALA A 72 -1.530 5.194 -6.869 1.00 35.52 C ATOM 1033 C ALA A 72 -1.849 3.849 -6.204 1.00 63.23 C ATOM 1034 O ALA A 72 -2.811 3.181 -6.583 1.00 33.24 O ATOM 1035 CB ALA A 72 -0.273 5.084 -7.736 1.00 51.33 C ATOM 0 H ALA A 72 -0.438 6.701 -5.928 1.00 11.31 H new ATOM 0 HA ALA A 72 -2.376 5.461 -7.503 1.00 35.52 H new ATOM 0 HB1 ALA A 72 -0.414 4.304 -8.484 1.00 51.33 H new ATOM 0 HB2 ALA A 72 -0.090 6.036 -8.235 1.00 51.33 H new ATOM 0 HB3 ALA A 72 0.582 4.834 -7.108 1.00 51.33 H new ATOM 1041 N PHE A 73 -1.058 3.450 -5.204 1.00 1.21 N ATOM 1042 CA PHE A 73 -1.221 2.212 -4.459 1.00 33.24 C ATOM 1043 C PHE A 73 -2.632 2.126 -3.873 1.00 3.13 C ATOM 1044 O PHE A 73 -3.387 1.215 -4.225 1.00 12.44 O ATOM 1045 CB PHE A 73 -0.151 2.102 -3.359 1.00 72.20 C ATOM 1046 CG PHE A 73 -0.364 0.947 -2.398 1.00 44.11 C ATOM 1047 CD1 PHE A 73 -0.714 1.193 -1.055 1.00 34.30 C ATOM 1048 CD2 PHE A 73 -0.224 -0.378 -2.849 1.00 23.40 C ATOM 1049 CE1 PHE A 73 -0.932 0.119 -0.174 1.00 34.13 C ATOM 1050 CE2 PHE A 73 -0.426 -1.447 -1.961 1.00 75.42 C ATOM 1051 CZ PHE A 73 -0.790 -1.204 -0.628 1.00 12.45 C ATOM 0 H PHE A 73 -0.262 4.003 -4.885 1.00 1.21 H new ATOM 0 HA PHE A 73 -1.088 1.371 -5.139 1.00 33.24 H new ATOM 0 HB2 PHE A 73 0.827 1.994 -3.828 1.00 72.20 H new ATOM 0 HB3 PHE A 73 -0.131 3.033 -2.792 1.00 72.20 H new ATOM 0 HD1 PHE A 73 -0.815 2.209 -0.702 1.00 34.30 H new ATOM 0 HD2 PHE A 73 0.039 -0.573 -3.878 1.00 23.40 H new ATOM 0 HE1 PHE A 73 -1.209 0.311 0.852 1.00 34.13 H new ATOM 0 HE2 PHE A 73 -0.300 -2.463 -2.306 1.00 75.42 H new ATOM 0 HZ PHE A 73 -0.960 -2.030 0.047 1.00 12.45 H new ATOM 1061 N ALA A 74 -2.987 3.079 -3.002 1.00 22.44 N ATOM 1062 CA ALA A 74 -4.284 3.135 -2.339 1.00 74.01 C ATOM 1063 C ALA A 74 -5.454 3.214 -3.332 1.00 2.25 C ATOM 1064 O ALA A 74 -6.540 2.720 -3.021 1.00 12.13 O ATOM 1065 CB ALA A 74 -4.307 4.286 -1.333 1.00 34.11 C ATOM 0 H ALA A 74 -2.366 3.844 -2.738 1.00 22.44 H new ATOM 0 HA ALA A 74 -4.422 2.199 -1.798 1.00 74.01 H new ATOM 0 HB1 ALA A 74 -5.280 4.321 -0.842 1.00 34.11 H new ATOM 0 HB2 ALA A 74 -3.529 4.132 -0.586 1.00 34.11 H new ATOM 0 HB3 ALA A 74 -4.129 5.227 -1.853 1.00 34.11 H new ATOM 1071 N SER A 75 -5.252 3.782 -4.524 1.00 44.34 N ATOM 1072 CA SER A 75 -6.281 3.891 -5.551 1.00 30.32 C ATOM 1073 C SER A 75 -6.751 2.481 -5.933 1.00 73.54 C ATOM 1074 O SER A 75 -7.958 2.240 -6.029 1.00 61.13 O ATOM 1075 CB SER A 75 -5.728 4.679 -6.751 1.00 34.42 C ATOM 1076 OG SER A 75 -6.750 5.136 -7.608 1.00 14.14 O ATOM 0 H SER A 75 -4.356 4.183 -4.802 1.00 44.34 H new ATOM 0 HA SER A 75 -7.147 4.440 -5.181 1.00 30.32 H new ATOM 0 HB2 SER A 75 -5.152 5.531 -6.389 1.00 34.42 H new ATOM 0 HB3 SER A 75 -5.041 4.046 -7.313 1.00 34.42 H new ATOM 0 HG SER A 75 -7.199 5.906 -7.200 1.00 14.14 H new ATOM 1082 N SER A 76 -5.828 1.531 -6.137 1.00 32.35 N ATOM 1083 CA SER A 76 -6.195 0.162 -6.497 1.00 31.32 C ATOM 1084 C SER A 76 -6.946 -0.503 -5.355 1.00 45.11 C ATOM 1085 O SER A 76 -7.888 -1.254 -5.608 1.00 23.33 O ATOM 1086 CB SER A 76 -4.962 -0.653 -6.890 1.00 24.12 C ATOM 1087 OG SER A 76 -5.085 -1.172 -8.195 1.00 11.23 O ATOM 0 H SER A 76 -4.823 1.689 -6.058 1.00 32.35 H new ATOM 0 HA SER A 76 -6.854 0.202 -7.364 1.00 31.32 H new ATOM 0 HB2 SER A 76 -4.074 -0.025 -6.829 1.00 24.12 H new ATOM 0 HB3 SER A 76 -4.824 -1.471 -6.183 1.00 24.12 H new ATOM 0 HG SER A 76 -4.196 -1.252 -8.600 1.00 11.23 H new ATOM 1093 N LEU A 77 -6.556 -0.234 -4.101 1.00 4.12 N ATOM 1094 CA LEU A 77 -7.261 -0.821 -2.985 1.00 15.24 C ATOM 1095 C LEU A 77 -8.712 -0.354 -3.040 1.00 52.21 C ATOM 1096 O LEU A 77 -9.567 -1.202 -2.859 1.00 2.23 O ATOM 1097 CB LEU A 77 -6.602 -0.500 -1.640 1.00 42.54 C ATOM 1098 CG LEU A 77 -5.442 -1.456 -1.303 1.00 41.33 C ATOM 1099 CD1 LEU A 77 -4.080 -0.881 -1.678 1.00 62.40 C ATOM 1100 CD2 LEU A 77 -5.418 -1.726 0.195 1.00 45.45 C ATOM 0 H LEU A 77 -5.775 0.372 -3.851 1.00 4.12 H new ATOM 0 HA LEU A 77 -7.222 -1.907 -3.067 1.00 15.24 H new ATOM 0 HB2 LEU A 77 -6.230 0.524 -1.658 1.00 42.54 H new ATOM 0 HB3 LEU A 77 -7.352 -0.553 -0.851 1.00 42.54 H new ATOM 0 HG LEU A 77 -5.615 -2.365 -1.879 1.00 41.33 H new ATOM 0 HD11 LEU A 77 -3.299 -1.596 -1.419 1.00 62.40 H new ATOM 0 HD12 LEU A 77 -4.051 -0.684 -2.750 1.00 62.40 H new ATOM 0 HD13 LEU A 77 -3.915 0.049 -1.134 1.00 62.40 H new ATOM 0 HD21 LEU A 77 -4.596 -2.403 0.430 1.00 45.45 H new ATOM 0 HD22 LEU A 77 -5.280 -0.787 0.732 1.00 45.45 H new ATOM 0 HD23 LEU A 77 -6.361 -2.182 0.498 1.00 45.45 H new ATOM 1112 N ALA A 78 -9.005 0.930 -3.291 1.00 23.44 N ATOM 1113 CA ALA A 78 -10.379 1.437 -3.377 1.00 43.21 C ATOM 1114 C ALA A 78 -11.112 0.810 -4.572 1.00 41.42 C ATOM 1115 O ALA A 78 -12.256 0.392 -4.405 1.00 2.22 O ATOM 1116 CB ALA A 78 -10.363 2.972 -3.493 1.00 21.03 C ATOM 0 H ALA A 78 -8.294 1.646 -3.440 1.00 23.44 H new ATOM 0 HA ALA A 78 -10.915 1.159 -2.470 1.00 43.21 H new ATOM 0 HB1 ALA A 78 -11.386 3.343 -3.557 1.00 21.03 H new ATOM 0 HB2 ALA A 78 -9.876 3.398 -2.616 1.00 21.03 H new ATOM 0 HB3 ALA A 78 -9.815 3.263 -4.389 1.00 21.03 H new ATOM 1122 N GLU A 79 -10.456 0.701 -5.737 1.00 32.11 N ATOM 1123 CA GLU A 79 -11.054 0.134 -6.949 1.00 22.14 C ATOM 1124 C GLU A 79 -11.544 -1.294 -6.709 1.00 11.43 C ATOM 1125 O GLU A 79 -12.729 -1.577 -6.891 1.00 34.42 O ATOM 1126 CB GLU A 79 -10.038 0.172 -8.116 1.00 0.04 C ATOM 1127 CG GLU A 79 -10.564 -0.517 -9.393 1.00 50.32 C ATOM 1128 CD GLU A 79 -9.656 -0.361 -10.623 1.00 70.40 C ATOM 1129 OE1 GLU A 79 -8.410 -0.433 -10.504 1.00 74.33 O ATOM 1130 OE2 GLU A 79 -10.185 -0.221 -11.755 1.00 52.54 O ATOM 0 H GLU A 79 -9.491 1.006 -5.863 1.00 32.11 H new ATOM 0 HA GLU A 79 -11.919 0.742 -7.216 1.00 22.14 H new ATOM 0 HB2 GLU A 79 -9.793 1.209 -8.344 1.00 0.04 H new ATOM 0 HB3 GLU A 79 -9.114 -0.313 -7.802 1.00 0.04 H new ATOM 0 HG2 GLU A 79 -10.698 -1.579 -9.188 1.00 50.32 H new ATOM 0 HG3 GLU A 79 -11.548 -0.112 -9.630 1.00 50.32 H new ATOM 1137 N ILE A 80 -10.652 -2.164 -6.233 1.00 31.22 N ATOM 1138 CA ILE A 80 -10.949 -3.567 -5.967 1.00 1.53 C ATOM 1139 C ILE A 80 -11.848 -3.690 -4.729 1.00 50.11 C ATOM 1140 O ILE A 80 -12.707 -4.572 -4.669 1.00 4.33 O ATOM 1141 CB ILE A 80 -9.623 -4.352 -5.826 1.00 2.00 C ATOM 1142 CG1 ILE A 80 -8.690 -4.254 -7.059 1.00 40.44 C ATOM 1143 CG2 ILE A 80 -9.873 -5.831 -5.468 1.00 30.43 C ATOM 1144 CD1 ILE A 80 -9.183 -4.987 -8.310 1.00 25.40 C ATOM 0 H ILE A 80 -9.688 -1.907 -6.019 1.00 31.22 H new ATOM 0 HA ILE A 80 -11.502 -4.003 -6.799 1.00 1.53 H new ATOM 0 HB ILE A 80 -9.100 -3.864 -5.004 1.00 2.00 H new ATOM 0 HG12 ILE A 80 -8.550 -3.202 -7.306 1.00 40.44 H new ATOM 0 HG13 ILE A 80 -7.712 -4.651 -6.787 1.00 40.44 H new ATOM 0 HG21 ILE A 80 -8.919 -6.350 -5.377 1.00 30.43 H new ATOM 0 HG22 ILE A 80 -10.410 -5.890 -4.521 1.00 30.43 H new ATOM 0 HG23 ILE A 80 -10.468 -6.300 -6.252 1.00 30.43 H new ATOM 0 HD11 ILE A 80 -8.461 -4.858 -9.116 1.00 25.40 H new ATOM 0 HD12 ILE A 80 -9.295 -6.049 -8.089 1.00 25.40 H new ATOM 0 HD13 ILE A 80 -10.145 -4.577 -8.616 1.00 25.40 H new ATOM 1156 N ALA A 81 -11.682 -2.826 -3.726 1.00 12.50 N ATOM 1157 CA ALA A 81 -12.486 -2.843 -2.512 1.00 50.11 C ATOM 1158 C ALA A 81 -13.958 -2.641 -2.830 1.00 51.55 C ATOM 1159 O ALA A 81 -14.804 -3.309 -2.230 1.00 23.11 O ATOM 1160 CB ALA A 81 -12.017 -1.760 -1.548 1.00 44.03 C ATOM 0 H ALA A 81 -10.977 -2.089 -3.738 1.00 12.50 H new ATOM 0 HA ALA A 81 -12.362 -3.819 -2.044 1.00 50.11 H new ATOM 0 HB1 ALA A 81 -12.628 -1.786 -0.646 1.00 44.03 H new ATOM 0 HB2 ALA A 81 -10.974 -1.934 -1.285 1.00 44.03 H new ATOM 0 HB3 ALA A 81 -12.113 -0.784 -2.023 1.00 44.03 H new ATOM 1166 N ALA A 82 -14.253 -1.722 -3.747 1.00 24.14 N ATOM 1167 CA ALA A 82 -15.605 -1.421 -4.163 1.00 34.44 C ATOM 1168 C ALA A 82 -16.148 -2.433 -5.176 1.00 20.21 C ATOM 1169 O ALA A 82 -17.237 -2.213 -5.710 1.00 52.44 O ATOM 1170 CB ALA A 82 -15.623 -0.015 -4.744 1.00 42.33 C ATOM 0 H ALA A 82 -13.545 -1.163 -4.223 1.00 24.14 H new ATOM 0 HA ALA A 82 -16.259 -1.484 -3.293 1.00 34.44 H new ATOM 0 HB1 ALA A 82 -16.635 0.233 -5.065 1.00 42.33 H new ATOM 0 HB2 ALA A 82 -15.298 0.697 -3.985 1.00 42.33 H new ATOM 0 HB3 ALA A 82 -14.949 0.034 -5.599 1.00 42.33 H new ATOM 1176 N SER A 83 -15.389 -3.479 -5.513 1.00 70.33 N ATOM 1177 CA SER A 83 -15.848 -4.489 -6.443 1.00 65.25 C ATOM 1178 C SER A 83 -17.001 -5.247 -5.782 1.00 74.44 C ATOM 1179 O SER A 83 -17.182 -5.238 -4.557 1.00 13.53 O ATOM 1180 CB SER A 83 -14.688 -5.424 -6.814 1.00 61.33 C ATOM 1181 OG SER A 83 -15.037 -6.278 -7.889 1.00 45.44 O ATOM 0 H SER A 83 -14.450 -3.640 -5.148 1.00 70.33 H new ATOM 0 HA SER A 83 -16.203 -4.037 -7.369 1.00 65.25 H new ATOM 0 HB2 SER A 83 -13.814 -4.832 -7.086 1.00 61.33 H new ATOM 0 HB3 SER A 83 -14.410 -6.023 -5.947 1.00 61.33 H new ATOM 0 HG SER A 83 -14.279 -6.860 -8.104 1.00 45.44 H new ATOM 1187 N GLU A 84 -17.769 -5.935 -6.621 1.00 61.04 N ATOM 1188 CA GLU A 84 -18.914 -6.732 -6.230 1.00 25.30 C ATOM 1189 C GLU A 84 -18.510 -7.763 -5.168 1.00 34.23 C ATOM 1190 O GLU A 84 -19.251 -7.968 -4.201 1.00 10.23 O ATOM 1191 CB GLU A 84 -19.457 -7.380 -7.511 1.00 74.03 C ATOM 1192 CG GLU A 84 -20.822 -8.034 -7.314 1.00 12.31 C ATOM 1193 CD GLU A 84 -21.409 -8.455 -8.658 1.00 73.14 C ATOM 1194 OE1 GLU A 84 -22.213 -7.676 -9.219 1.00 71.41 O ATOM 1195 OE2 GLU A 84 -21.097 -9.565 -9.155 1.00 32.50 O ATOM 0 H GLU A 84 -17.600 -5.950 -7.627 1.00 61.04 H new ATOM 0 HA GLU A 84 -19.694 -6.125 -5.770 1.00 25.30 H new ATOM 0 HB2 GLU A 84 -19.532 -6.623 -8.291 1.00 74.03 H new ATOM 0 HB3 GLU A 84 -18.748 -8.130 -7.861 1.00 74.03 H new ATOM 0 HG2 GLU A 84 -20.725 -8.903 -6.664 1.00 12.31 H new ATOM 0 HG3 GLU A 84 -21.498 -7.338 -6.817 1.00 12.31 H new ATOM 1202 N GLU A 85 -17.325 -8.369 -5.322 1.00 34.14 N ATOM 1203 CA GLU A 85 -16.796 -9.374 -4.413 1.00 3.13 C ATOM 1204 C GLU A 85 -15.730 -8.812 -3.469 1.00 32.02 C ATOM 1205 O GLU A 85 -15.044 -7.829 -3.753 1.00 52.53 O ATOM 1206 CB GLU A 85 -16.329 -10.602 -5.189 1.00 34.12 C ATOM 1207 CG GLU A 85 -14.968 -10.426 -5.873 1.00 63.50 C ATOM 1208 CD GLU A 85 -14.654 -11.622 -6.766 1.00 15.04 C ATOM 1209 OE1 GLU A 85 -15.224 -12.708 -6.530 1.00 12.45 O ATOM 1210 OE2 GLU A 85 -13.888 -11.497 -7.746 1.00 45.41 O ATOM 0 H GLU A 85 -16.700 -8.164 -6.102 1.00 34.14 H new ATOM 0 HA GLU A 85 -17.606 -9.695 -3.758 1.00 3.13 H new ATOM 0 HB2 GLU A 85 -16.275 -11.451 -4.508 1.00 34.12 H new ATOM 0 HB3 GLU A 85 -17.075 -10.847 -5.945 1.00 34.12 H new ATOM 0 HG2 GLU A 85 -14.970 -9.513 -6.468 1.00 63.50 H new ATOM 0 HG3 GLU A 85 -14.189 -10.314 -5.119 1.00 63.50 H new ATOM 1217 N GLY A 86 -15.546 -9.519 -2.361 1.00 71.55 N ATOM 1218 CA GLY A 86 -14.658 -9.246 -1.242 1.00 11.43 C ATOM 1219 C GLY A 86 -15.545 -9.142 0.011 1.00 53.13 C ATOM 1220 O GLY A 86 -15.079 -9.316 1.136 1.00 1.22 O ATOM 0 H GLY A 86 -16.067 -10.383 -2.211 1.00 71.55 H new ATOM 0 HA2 GLY A 86 -13.921 -10.041 -1.130 1.00 11.43 H new ATOM 0 HA3 GLY A 86 -14.106 -8.320 -1.403 1.00 11.43 H new ATOM 1224 N GLY A 87 -16.839 -8.873 -0.200 1.00 64.14 N ATOM 1225 CA GLY A 87 -17.900 -8.750 0.770 1.00 70.23 C ATOM 1226 C GLY A 87 -17.717 -7.655 1.802 1.00 0.20 C ATOM 1227 O GLY A 87 -16.762 -6.866 1.783 1.00 73.03 O ATOM 0 H GLY A 87 -17.188 -8.725 -1.147 1.00 64.14 H new ATOM 0 HA2 GLY A 87 -18.835 -8.572 0.239 1.00 70.23 H new ATOM 0 HA3 GLY A 87 -18.005 -9.702 1.291 1.00 70.23 H new ATOM 1231 N GLY A 88 -18.668 -7.645 2.732 1.00 11.23 N ATOM 1232 CA GLY A 88 -18.734 -6.715 3.833 1.00 44.23 C ATOM 1233 C GLY A 88 -19.062 -5.299 3.371 1.00 73.12 C ATOM 1234 O GLY A 88 -19.092 -4.971 2.178 1.00 13.22 O ATOM 0 H GLY A 88 -19.438 -8.313 2.731 1.00 11.23 H new ATOM 0 HA2 GLY A 88 -19.491 -7.048 4.543 1.00 44.23 H new ATOM 0 HA3 GLY A 88 -17.781 -6.711 4.361 1.00 44.23 H new ATOM 1238 N SER A 89 -19.294 -4.441 4.357 1.00 41.21 N ATOM 1239 CA SER A 89 -19.600 -3.038 4.149 1.00 34.32 C ATOM 1240 C SER A 89 -18.333 -2.402 3.557 1.00 1.02 C ATOM 1241 O SER A 89 -17.216 -2.781 3.935 1.00 20.42 O ATOM 1242 CB SER A 89 -20.007 -2.417 5.491 1.00 3.51 C ATOM 1243 OG SER A 89 -20.741 -3.333 6.300 1.00 12.31 O ATOM 0 H SER A 89 -19.273 -4.710 5.341 1.00 41.21 H new ATOM 0 HA SER A 89 -20.433 -2.878 3.464 1.00 34.32 H new ATOM 0 HB2 SER A 89 -19.115 -2.094 6.027 1.00 3.51 H new ATOM 0 HB3 SER A 89 -20.610 -1.527 5.311 1.00 3.51 H new ATOM 0 HG SER A 89 -20.981 -2.902 7.147 1.00 12.31 H new ATOM 1249 N LEU A 90 -18.476 -1.399 2.688 1.00 20.34 N ATOM 1250 CA LEU A 90 -17.336 -0.757 2.038 1.00 50.15 C ATOM 1251 C LEU A 90 -16.312 -0.204 3.028 1.00 51.45 C ATOM 1252 O LEU A 90 -15.135 -0.547 2.938 1.00 61.12 O ATOM 1253 CB LEU A 90 -17.823 0.367 1.111 1.00 65.42 C ATOM 1254 CG LEU A 90 -16.881 0.745 -0.061 1.00 70.41 C ATOM 1255 CD1 LEU A 90 -16.909 -0.285 -1.177 1.00 30.30 C ATOM 1256 CD2 LEU A 90 -17.395 2.076 -0.620 1.00 22.01 C ATOM 0 H LEU A 90 -19.380 -1.012 2.418 1.00 20.34 H new ATOM 0 HA LEU A 90 -16.831 -1.530 1.459 1.00 50.15 H new ATOM 0 HB2 LEU A 90 -18.787 0.074 0.695 1.00 65.42 H new ATOM 0 HB3 LEU A 90 -17.994 1.259 1.714 1.00 65.42 H new ATOM 0 HG LEU A 90 -15.856 0.802 0.305 1.00 70.41 H new ATOM 0 HD11 LEU A 90 -16.233 0.024 -1.975 1.00 30.30 H new ATOM 0 HD12 LEU A 90 -16.592 -1.252 -0.787 1.00 30.30 H new ATOM 0 HD13 LEU A 90 -17.922 -0.367 -1.571 1.00 30.30 H new ATOM 0 HD21 LEU A 90 -16.764 2.389 -1.452 1.00 22.01 H new ATOM 0 HD22 LEU A 90 -18.420 1.952 -0.969 1.00 22.01 H new ATOM 0 HD23 LEU A 90 -17.367 2.834 0.162 1.00 22.01 H new ATOM 1268 N SER A 91 -16.746 0.545 4.040 1.00 75.30 N ATOM 1269 CA SER A 91 -15.816 1.128 4.998 1.00 63.24 C ATOM 1270 C SER A 91 -15.133 0.091 5.899 1.00 51.50 C ATOM 1271 O SER A 91 -13.980 0.304 6.267 1.00 62.31 O ATOM 1272 CB SER A 91 -16.507 2.242 5.792 1.00 13.44 C ATOM 1273 OG SER A 91 -17.280 3.056 4.916 1.00 10.12 O ATOM 0 H SER A 91 -17.728 0.760 4.215 1.00 75.30 H new ATOM 0 HA SER A 91 -14.998 1.571 4.430 1.00 63.24 H new ATOM 0 HB2 SER A 91 -17.148 1.809 6.560 1.00 13.44 H new ATOM 0 HB3 SER A 91 -15.762 2.850 6.305 1.00 13.44 H new ATOM 0 HG SER A 91 -17.720 3.764 5.431 1.00 10.12 H new ATOM 1279 N THR A 92 -15.760 -1.046 6.213 1.00 61.41 N ATOM 1280 CA THR A 92 -15.149 -2.057 7.078 1.00 63.01 C ATOM 1281 C THR A 92 -13.834 -2.575 6.479 1.00 74.44 C ATOM 1282 O THR A 92 -12.854 -2.754 7.204 1.00 54.12 O ATOM 1283 CB THR A 92 -16.148 -3.196 7.339 1.00 12.03 C ATOM 1284 OG1 THR A 92 -17.382 -2.654 7.781 1.00 53.22 O ATOM 1285 CG2 THR A 92 -15.630 -4.145 8.418 1.00 71.12 C ATOM 0 H THR A 92 -16.693 -1.289 5.880 1.00 61.41 H new ATOM 0 HA THR A 92 -14.901 -1.599 8.036 1.00 63.01 H new ATOM 0 HB THR A 92 -16.279 -3.747 6.408 1.00 12.03 H new ATOM 0 HG1 THR A 92 -18.018 -3.381 7.945 1.00 53.22 H new ATOM 0 HG21 THR A 92 -16.357 -4.941 8.582 1.00 71.12 H new ATOM 0 HG22 THR A 92 -14.683 -4.579 8.097 1.00 71.12 H new ATOM 0 HG23 THR A 92 -15.480 -3.594 9.346 1.00 71.12 H new ATOM 1293 N LYS A 93 -13.782 -2.741 5.152 1.00 51.12 N ATOM 1294 CA LYS A 93 -12.593 -3.224 4.450 1.00 11.24 C ATOM 1295 C LYS A 93 -11.384 -2.336 4.752 1.00 34.34 C ATOM 1296 O LYS A 93 -10.286 -2.845 4.971 1.00 20.24 O ATOM 1297 CB LYS A 93 -12.898 -3.291 2.945 1.00 73.21 C ATOM 1298 CG LYS A 93 -12.032 -4.296 2.177 1.00 63.40 C ATOM 1299 CD LYS A 93 -12.547 -4.636 0.767 1.00 14.14 C ATOM 1300 CE LYS A 93 -13.874 -5.419 0.729 1.00 0.54 C ATOM 1301 NZ LYS A 93 -14.327 -5.665 -0.659 1.00 3.54 N ATOM 0 H LYS A 93 -14.569 -2.542 4.534 1.00 51.12 H new ATOM 0 HA LYS A 93 -12.338 -4.225 4.798 1.00 11.24 H new ATOM 0 HB2 LYS A 93 -13.947 -3.553 2.809 1.00 73.21 H new ATOM 0 HB3 LYS A 93 -12.758 -2.301 2.512 1.00 73.21 H new ATOM 0 HG2 LYS A 93 -11.021 -3.897 2.094 1.00 63.40 H new ATOM 0 HG3 LYS A 93 -11.965 -5.216 2.757 1.00 63.40 H new ATOM 0 HD2 LYS A 93 -12.674 -3.708 0.210 1.00 14.14 H new ATOM 0 HD3 LYS A 93 -11.785 -5.217 0.249 1.00 14.14 H new ATOM 0 HE2 LYS A 93 -13.749 -6.371 1.245 1.00 0.54 H new ATOM 0 HE3 LYS A 93 -14.640 -4.862 1.268 1.00 0.54 H new ATOM 0 HZ1 LYS A 93 -15.222 -6.194 -0.643 1.00 3.54 H new ATOM 0 HZ2 LYS A 93 -14.470 -4.756 -1.144 1.00 3.54 H new ATOM 0 HZ3 LYS A 93 -13.607 -6.218 -1.166 1.00 3.54 H new ATOM 1315 N THR A 94 -11.586 -1.015 4.815 1.00 50.33 N ATOM 1316 CA THR A 94 -10.533 -0.041 5.098 1.00 2.41 C ATOM 1317 C THR A 94 -9.822 -0.411 6.413 1.00 75.23 C ATOM 1318 O THR A 94 -8.596 -0.370 6.493 1.00 32.02 O ATOM 1319 CB THR A 94 -11.071 1.407 5.049 1.00 1.42 C ATOM 1320 OG1 THR A 94 -11.846 1.766 6.174 1.00 51.34 O ATOM 1321 CG2 THR A 94 -11.917 1.670 3.794 1.00 23.40 C ATOM 0 H THR A 94 -12.501 -0.589 4.668 1.00 50.33 H new ATOM 0 HA THR A 94 -9.777 -0.079 4.314 1.00 2.41 H new ATOM 0 HB THR A 94 -10.170 2.020 5.036 1.00 1.42 H new ATOM 0 HG1 THR A 94 -12.748 1.395 6.081 1.00 51.34 H new ATOM 0 HG21 THR A 94 -12.273 2.700 3.804 1.00 23.40 H new ATOM 0 HG22 THR A 94 -11.309 1.505 2.904 1.00 23.40 H new ATOM 0 HG23 THR A 94 -12.770 0.992 3.782 1.00 23.40 H new ATOM 1329 N SER A 95 -10.577 -0.844 7.426 1.00 11.23 N ATOM 1330 CA SER A 95 -10.055 -1.224 8.725 1.00 60.12 C ATOM 1331 C SER A 95 -9.254 -2.527 8.685 1.00 32.43 C ATOM 1332 O SER A 95 -8.163 -2.591 9.253 1.00 0.12 O ATOM 1333 CB SER A 95 -11.218 -1.421 9.700 1.00 2.10 C ATOM 1334 OG SER A 95 -12.213 -0.417 9.621 1.00 51.00 O ATOM 0 H SER A 95 -11.590 -0.939 7.356 1.00 11.23 H new ATOM 0 HA SER A 95 -9.389 -0.422 9.043 1.00 60.12 H new ATOM 0 HB2 SER A 95 -11.679 -2.390 9.509 1.00 2.10 H new ATOM 0 HB3 SER A 95 -10.825 -1.450 10.716 1.00 2.10 H new ATOM 0 HG SER A 95 -12.923 -0.608 10.269 1.00 51.00 H new ATOM 1340 N SER A 96 -9.772 -3.578 8.033 1.00 30.43 N ATOM 1341 CA SER A 96 -9.088 -4.869 7.982 1.00 41.04 C ATOM 1342 C SER A 96 -7.708 -4.765 7.315 1.00 52.43 C ATOM 1343 O SER A 96 -6.786 -5.508 7.656 1.00 24.24 O ATOM 1344 CB SER A 96 -10.025 -5.930 7.386 1.00 34.25 C ATOM 1345 OG SER A 96 -10.408 -5.641 6.061 1.00 13.25 O ATOM 0 H SER A 96 -10.662 -3.555 7.535 1.00 30.43 H new ATOM 0 HA SER A 96 -8.857 -5.203 8.994 1.00 41.04 H new ATOM 0 HB2 SER A 96 -9.530 -6.901 7.412 1.00 34.25 H new ATOM 0 HB3 SER A 96 -10.917 -6.010 8.007 1.00 34.25 H new ATOM 0 HG SER A 96 -10.286 -4.684 5.886 1.00 13.25 H new ATOM 1351 N ILE A 97 -7.533 -3.831 6.379 1.00 34.45 N ATOM 1352 CA ILE A 97 -6.281 -3.582 5.682 1.00 3.44 C ATOM 1353 C ILE A 97 -5.266 -3.037 6.688 1.00 20.54 C ATOM 1354 O ILE A 97 -4.125 -3.491 6.671 1.00 50.43 O ATOM 1355 CB ILE A 97 -6.533 -2.589 4.535 1.00 73.40 C ATOM 1356 CG1 ILE A 97 -7.421 -3.253 3.466 1.00 40.23 C ATOM 1357 CG2 ILE A 97 -5.240 -2.083 3.889 1.00 42.51 C ATOM 1358 CD1 ILE A 97 -8.289 -2.207 2.762 1.00 31.20 C ATOM 0 H ILE A 97 -8.285 -3.210 6.080 1.00 34.45 H new ATOM 0 HA ILE A 97 -5.882 -4.500 5.250 1.00 3.44 H new ATOM 0 HB ILE A 97 -7.034 -1.722 4.965 1.00 73.40 H new ATOM 0 HG12 ILE A 97 -6.797 -3.767 2.735 1.00 40.23 H new ATOM 0 HG13 ILE A 97 -8.056 -4.008 3.930 1.00 40.23 H new ATOM 0 HG21 ILE A 97 -5.483 -1.386 3.087 1.00 42.51 H new ATOM 0 HG22 ILE A 97 -4.633 -1.576 4.639 1.00 42.51 H new ATOM 0 HG23 ILE A 97 -4.683 -2.926 3.481 1.00 42.51 H new ATOM 0 HD11 ILE A 97 -8.909 -2.695 2.010 1.00 31.20 H new ATOM 0 HD12 ILE A 97 -8.928 -1.712 3.494 1.00 31.20 H new ATOM 0 HD13 ILE A 97 -7.649 -1.468 2.280 1.00 31.20 H new ATOM 1370 N ALA A 98 -5.644 -2.096 7.566 1.00 12.14 N ATOM 1371 CA ALA A 98 -4.718 -1.545 8.559 1.00 74.34 C ATOM 1372 C ALA A 98 -4.192 -2.661 9.456 1.00 22.14 C ATOM 1373 O ALA A 98 -3.021 -2.667 9.842 1.00 32.50 O ATOM 1374 CB ALA A 98 -5.387 -0.473 9.426 1.00 41.02 C ATOM 0 H ALA A 98 -6.584 -1.703 7.606 1.00 12.14 H new ATOM 0 HA ALA A 98 -3.894 -1.080 8.017 1.00 74.34 H new ATOM 0 HB1 ALA A 98 -4.668 -0.089 10.150 1.00 41.02 H new ATOM 0 HB2 ALA A 98 -5.735 0.343 8.792 1.00 41.02 H new ATOM 0 HB3 ALA A 98 -6.235 -0.909 9.954 1.00 41.02 H new ATOM 1380 N SER A 99 -5.062 -3.608 9.792 1.00 44.21 N ATOM 1381 CA SER A 99 -4.696 -4.736 10.632 1.00 74.25 C ATOM 1382 C SER A 99 -3.678 -5.602 9.876 1.00 41.11 C ATOM 1383 O SER A 99 -2.653 -5.983 10.439 1.00 42.34 O ATOM 1384 CB SER A 99 -5.958 -5.508 11.022 1.00 60.15 C ATOM 1385 OG SER A 99 -6.982 -4.631 11.457 1.00 15.04 O ATOM 0 H SER A 99 -6.036 -3.613 9.490 1.00 44.21 H new ATOM 0 HA SER A 99 -4.226 -4.404 11.558 1.00 74.25 H new ATOM 0 HB2 SER A 99 -6.311 -6.088 10.169 1.00 60.15 H new ATOM 0 HB3 SER A 99 -5.723 -6.218 11.815 1.00 60.15 H new ATOM 0 HG SER A 99 -7.777 -5.151 11.698 1.00 15.04 H new ATOM 1391 N ALA A 100 -3.912 -5.871 8.583 1.00 64.54 N ATOM 1392 CA ALA A 100 -2.986 -6.678 7.793 1.00 44.31 C ATOM 1393 C ALA A 100 -1.640 -5.952 7.613 1.00 55.32 C ATOM 1394 O ALA A 100 -0.578 -6.577 7.675 1.00 42.02 O ATOM 1395 CB ALA A 100 -3.624 -7.002 6.444 1.00 63.53 C ATOM 0 H ALA A 100 -4.730 -5.542 8.070 1.00 64.54 H new ATOM 0 HA ALA A 100 -2.782 -7.610 8.320 1.00 44.31 H new ATOM 0 HB1 ALA A 100 -2.936 -7.604 5.851 1.00 63.53 H new ATOM 0 HB2 ALA A 100 -4.548 -7.558 6.603 1.00 63.53 H new ATOM 0 HB3 ALA A 100 -3.844 -6.075 5.914 1.00 63.53 H new ATOM 1401 N LEU A 101 -1.678 -4.633 7.393 1.00 50.04 N ATOM 1402 CA LEU A 101 -0.501 -3.784 7.218 1.00 11.34 C ATOM 1403 C LEU A 101 0.333 -3.807 8.488 1.00 2.03 C ATOM 1404 O LEU A 101 1.556 -3.848 8.402 1.00 30.04 O ATOM 1405 CB LEU A 101 -0.907 -2.329 6.932 1.00 63.04 C ATOM 1406 CG LEU A 101 -1.303 -2.069 5.472 1.00 22.41 C ATOM 1407 CD1 LEU A 101 -2.057 -0.740 5.368 1.00 15.34 C ATOM 1408 CD2 LEU A 101 -0.078 -2.011 4.558 1.00 64.13 C ATOM 0 H LEU A 101 -2.555 -4.115 7.331 1.00 50.04 H new ATOM 0 HA LEU A 101 0.070 -4.169 6.373 1.00 11.34 H new ATOM 0 HB2 LEU A 101 -1.743 -2.062 7.578 1.00 63.04 H new ATOM 0 HB3 LEU A 101 -0.078 -1.672 7.196 1.00 63.04 H new ATOM 0 HG LEU A 101 -1.938 -2.895 5.152 1.00 22.41 H new ATOM 0 HD11 LEU A 101 -2.336 -0.560 4.330 1.00 15.34 H new ATOM 0 HD12 LEU A 101 -2.956 -0.783 5.983 1.00 15.34 H new ATOM 0 HD13 LEU A 101 -1.417 0.070 5.717 1.00 15.34 H new ATOM 0 HD21 LEU A 101 -0.398 -1.825 3.533 1.00 64.13 H new ATOM 0 HD22 LEU A 101 0.581 -1.206 4.884 1.00 64.13 H new ATOM 0 HD23 LEU A 101 0.457 -2.960 4.605 1.00 64.13 H new ATOM 1420 N SER A 102 -0.316 -3.795 9.655 1.00 64.13 N ATOM 1421 CA SER A 102 0.366 -3.825 10.935 1.00 44.41 C ATOM 1422 C SER A 102 1.315 -5.019 11.004 1.00 70.51 C ATOM 1423 O SER A 102 2.496 -4.845 11.311 1.00 75.13 O ATOM 1424 CB SER A 102 -0.645 -3.883 12.077 1.00 62.55 C ATOM 1425 OG SER A 102 -1.499 -2.752 12.124 1.00 2.03 O ATOM 0 H SER A 102 -1.333 -3.764 9.730 1.00 64.13 H new ATOM 0 HA SER A 102 0.950 -2.911 11.037 1.00 44.41 H new ATOM 0 HB2 SER A 102 -1.250 -4.783 11.973 1.00 62.55 H new ATOM 0 HB3 SER A 102 -0.110 -3.966 13.023 1.00 62.55 H new ATOM 0 HG SER A 102 -1.936 -2.636 11.255 1.00 2.03 H new ATOM 1431 N ASN A 103 0.824 -6.220 10.671 1.00 51.11 N ATOM 1432 CA ASN A 103 1.679 -7.399 10.712 1.00 53.34 C ATOM 1433 C ASN A 103 2.807 -7.287 9.689 1.00 71.32 C ATOM 1434 O ASN A 103 3.938 -7.654 9.988 1.00 2.14 O ATOM 1435 CB ASN A 103 0.901 -8.697 10.472 1.00 44.00 C ATOM 1436 CG ASN A 103 1.697 -9.864 11.051 1.00 61.13 C ATOM 1437 OD1 ASN A 103 2.130 -9.819 12.199 1.00 10.32 O ATOM 1438 ND2 ASN A 103 1.949 -10.906 10.280 1.00 3.01 N ATOM 0 H ASN A 103 -0.138 -6.393 10.378 1.00 51.11 H new ATOM 0 HA ASN A 103 2.098 -7.441 11.718 1.00 53.34 H new ATOM 0 HB2 ASN A 103 -0.081 -8.640 10.942 1.00 44.00 H new ATOM 0 HB3 ASN A 103 0.736 -8.846 9.405 1.00 44.00 H new ATOM 0 HD21 ASN A 103 2.507 -11.681 10.637 1.00 3.01 H new ATOM 0 HD22 ASN A 103 1.585 -10.935 9.327 1.00 3.01 H new ATOM 1445 N ALA A 104 2.511 -6.761 8.493 1.00 63.43 N ATOM 1446 CA ALA A 104 3.496 -6.592 7.430 1.00 1.44 C ATOM 1447 C ALA A 104 4.659 -5.720 7.912 1.00 23.41 C ATOM 1448 O ALA A 104 5.817 -6.071 7.698 1.00 34.14 O ATOM 1449 CB ALA A 104 2.833 -5.990 6.185 1.00 23.11 C ATOM 0 H ALA A 104 1.576 -6.441 8.240 1.00 63.43 H new ATOM 0 HA ALA A 104 3.898 -7.569 7.163 1.00 1.44 H new ATOM 0 HB1 ALA A 104 3.578 -5.869 5.399 1.00 23.11 H new ATOM 0 HB2 ALA A 104 2.043 -6.655 5.836 1.00 23.11 H new ATOM 0 HB3 ALA A 104 2.407 -5.018 6.434 1.00 23.11 H new ATOM 1455 N PHE A 105 4.354 -4.597 8.569 1.00 23.52 N ATOM 1456 CA PHE A 105 5.346 -3.670 9.102 1.00 33.40 C ATOM 1457 C PHE A 105 6.211 -4.343 10.168 1.00 33.54 C ATOM 1458 O PHE A 105 7.419 -4.098 10.250 1.00 11.12 O ATOM 1459 CB PHE A 105 4.634 -2.429 9.655 1.00 54.33 C ATOM 1460 CG PHE A 105 4.391 -1.368 8.605 1.00 24.30 C ATOM 1461 CD1 PHE A 105 5.502 -0.756 7.999 1.00 34.33 C ATOM 1462 CD2 PHE A 105 3.090 -0.983 8.236 1.00 72.45 C ATOM 1463 CE1 PHE A 105 5.318 0.240 7.029 1.00 34.20 C ATOM 1464 CE2 PHE A 105 2.903 0.017 7.264 1.00 20.52 C ATOM 1465 CZ PHE A 105 4.017 0.632 6.669 1.00 74.31 C ATOM 0 H PHE A 105 3.393 -4.305 8.746 1.00 23.52 H new ATOM 0 HA PHE A 105 6.016 -3.361 8.300 1.00 33.40 H new ATOM 0 HB2 PHE A 105 3.680 -2.728 10.089 1.00 54.33 H new ATOM 0 HB3 PHE A 105 5.231 -2.004 10.461 1.00 54.33 H new ATOM 0 HD1 PHE A 105 6.501 -1.054 8.281 1.00 34.33 H new ATOM 0 HD2 PHE A 105 2.235 -1.454 8.698 1.00 72.45 H new ATOM 0 HE1 PHE A 105 6.173 0.704 6.560 1.00 34.20 H new ATOM 0 HE2 PHE A 105 1.905 0.311 6.976 1.00 20.52 H new ATOM 0 HZ PHE A 105 3.873 1.409 5.932 1.00 74.31 H new ATOM 1475 N LEU A 106 5.605 -5.194 11.001 1.00 23.01 N ATOM 1476 CA LEU A 106 6.360 -5.899 12.022 1.00 10.35 C ATOM 1477 C LEU A 106 7.267 -6.929 11.356 1.00 52.03 C ATOM 1478 O LEU A 106 8.387 -7.131 11.822 1.00 74.14 O ATOM 1479 CB LEU A 106 5.443 -6.573 13.045 1.00 35.03 C ATOM 1480 CG LEU A 106 4.749 -5.604 14.016 1.00 53.05 C ATOM 1481 CD1 LEU A 106 3.968 -6.416 15.043 1.00 13.14 C ATOM 1482 CD2 LEU A 106 5.741 -4.721 14.783 1.00 55.11 C ATOM 0 H LEU A 106 4.607 -5.405 10.984 1.00 23.01 H new ATOM 0 HA LEU A 106 6.965 -5.173 12.565 1.00 10.35 H new ATOM 0 HB2 LEU A 106 4.681 -7.141 12.512 1.00 35.03 H new ATOM 0 HB3 LEU A 106 6.028 -7.289 13.622 1.00 35.03 H new ATOM 0 HG LEU A 106 4.105 -4.958 13.420 1.00 53.05 H new ATOM 0 HD11 LEU A 106 3.470 -5.740 15.739 1.00 13.14 H new ATOM 0 HD12 LEU A 106 3.222 -7.026 14.534 1.00 13.14 H new ATOM 0 HD13 LEU A 106 4.652 -7.063 15.592 1.00 13.14 H new ATOM 0 HD21 LEU A 106 5.195 -4.057 15.453 1.00 55.11 H new ATOM 0 HD22 LEU A 106 6.414 -5.351 15.365 1.00 55.11 H new ATOM 0 HD23 LEU A 106 6.320 -4.127 14.077 1.00 55.11 H new ATOM 1494 N GLN A 107 6.818 -7.587 10.286 1.00 54.21 N ATOM 1495 CA GLN A 107 7.622 -8.573 9.579 1.00 42.33 C ATOM 1496 C GLN A 107 8.826 -7.898 8.913 1.00 22.22 C ATOM 1497 O GLN A 107 9.915 -8.471 8.938 1.00 14.41 O ATOM 1498 CB GLN A 107 6.761 -9.354 8.576 1.00 73.33 C ATOM 1499 CG GLN A 107 5.832 -10.348 9.291 1.00 25.13 C ATOM 1500 CD GLN A 107 4.899 -11.075 8.327 1.00 4.25 C ATOM 1501 OE1 GLN A 107 4.231 -10.470 7.488 1.00 61.21 O ATOM 1502 NE2 GLN A 107 4.836 -12.392 8.393 1.00 44.30 N ATOM 0 H GLN A 107 5.888 -7.449 9.889 1.00 54.21 H new ATOM 0 HA GLN A 107 8.011 -9.297 10.295 1.00 42.33 H new ATOM 0 HB2 GLN A 107 6.166 -8.658 7.985 1.00 73.33 H new ATOM 0 HB3 GLN A 107 7.406 -9.892 7.881 1.00 73.33 H new ATOM 0 HG2 GLN A 107 6.434 -11.080 9.830 1.00 25.13 H new ATOM 0 HG3 GLN A 107 5.238 -9.815 10.034 1.00 25.13 H new ATOM 0 HE21 GLN A 107 5.389 -12.895 9.087 1.00 44.30 H new ATOM 0 HE22 GLN A 107 4.235 -12.907 7.750 1.00 44.30 H new ATOM 1511 N THR A 108 8.684 -6.683 8.372 1.00 33.11 N ATOM 1512 CA THR A 108 9.793 -5.999 7.723 1.00 21.44 C ATOM 1513 C THR A 108 10.786 -5.402 8.730 1.00 42.22 C ATOM 1514 O THR A 108 11.945 -5.838 8.737 1.00 44.23 O ATOM 1515 CB THR A 108 9.279 -4.944 6.728 1.00 71.43 C ATOM 1516 OG1 THR A 108 8.307 -4.112 7.322 1.00 53.31 O ATOM 1517 CG2 THR A 108 8.664 -5.594 5.485 1.00 51.14 C ATOM 0 H THR A 108 7.809 -6.158 8.374 1.00 33.11 H new ATOM 0 HA THR A 108 10.349 -6.748 7.159 1.00 21.44 H new ATOM 0 HB THR A 108 10.144 -4.349 6.435 1.00 71.43 H new ATOM 0 HG1 THR A 108 7.999 -3.450 6.668 1.00 53.31 H new ATOM 0 HG21 THR A 108 8.312 -4.818 4.805 1.00 51.14 H new ATOM 0 HG22 THR A 108 9.416 -6.203 4.983 1.00 51.14 H new ATOM 0 HG23 THR A 108 7.826 -6.224 5.781 1.00 51.14 H new ATOM 1525 N THR A 109 10.376 -4.489 9.627 1.00 55.11 N ATOM 1526 CA THR A 109 11.318 -3.868 10.561 1.00 74.30 C ATOM 1527 C THR A 109 11.020 -4.084 12.044 1.00 13.24 C ATOM 1528 O THR A 109 11.815 -3.634 12.865 1.00 62.11 O ATOM 1529 CB THR A 109 11.486 -2.373 10.212 1.00 23.21 C ATOM 1530 OG1 THR A 109 10.399 -1.594 10.679 1.00 23.04 O ATOM 1531 CG2 THR A 109 11.657 -2.088 8.712 1.00 41.01 C ATOM 0 H THR A 109 9.411 -4.171 9.721 1.00 55.11 H new ATOM 0 HA THR A 109 12.264 -4.391 10.422 1.00 74.30 H new ATOM 0 HB THR A 109 12.409 -2.092 10.720 1.00 23.21 H new ATOM 0 HG1 THR A 109 10.543 -0.655 10.440 1.00 23.04 H new ATOM 0 HG21 THR A 109 11.768 -1.015 8.556 1.00 41.01 H new ATOM 0 HG22 THR A 109 12.544 -2.602 8.343 1.00 41.01 H new ATOM 0 HG23 THR A 109 10.780 -2.444 8.172 1.00 41.01 H new ATOM 1539 N GLY A 110 9.912 -4.728 12.427 1.00 62.50 N ATOM 1540 CA GLY A 110 9.594 -4.934 13.838 1.00 1.24 C ATOM 1541 C GLY A 110 9.006 -3.675 14.483 1.00 21.41 C ATOM 1542 O GLY A 110 8.738 -3.674 15.686 1.00 45.33 O ATOM 0 H GLY A 110 9.224 -5.113 11.779 1.00 62.50 H new ATOM 0 HA2 GLY A 110 8.884 -5.756 13.934 1.00 1.24 H new ATOM 0 HA3 GLY A 110 10.496 -5.228 14.374 1.00 1.24 H new ATOM 1546 N VAL A 111 8.765 -2.619 13.701 1.00 5.04 N ATOM 1547 CA VAL A 111 8.218 -1.345 14.148 1.00 51.24 C ATOM 1548 C VAL A 111 6.859 -1.189 13.475 1.00 71.03 C ATOM 1549 O VAL A 111 6.738 -1.458 12.280 1.00 15.44 O ATOM 1550 CB VAL A 111 9.173 -0.185 13.781 1.00 44.13 C ATOM 1551 CG1 VAL A 111 8.778 1.100 14.520 1.00 32.22 C ATOM 1552 CG2 VAL A 111 10.646 -0.504 14.082 1.00 23.12 C ATOM 0 H VAL A 111 8.955 -2.634 12.699 1.00 5.04 H new ATOM 0 HA VAL A 111 8.106 -1.321 15.232 1.00 51.24 H new ATOM 0 HB VAL A 111 9.075 -0.044 12.705 1.00 44.13 H new ATOM 0 HG11 VAL A 111 9.463 1.902 14.247 1.00 32.22 H new ATOM 0 HG12 VAL A 111 7.762 1.381 14.244 1.00 32.22 H new ATOM 0 HG13 VAL A 111 8.828 0.931 15.596 1.00 32.22 H new ATOM 0 HG21 VAL A 111 11.267 0.347 13.803 1.00 23.12 H new ATOM 0 HG22 VAL A 111 10.764 -0.706 15.146 1.00 23.12 H new ATOM 0 HG23 VAL A 111 10.953 -1.380 13.510 1.00 23.12 H new ATOM 1562 N VAL A 112 5.837 -0.800 14.234 1.00 42.33 N ATOM 1563 CA VAL A 112 4.475 -0.587 13.762 1.00 33.14 C ATOM 1564 C VAL A 112 4.088 0.839 14.177 1.00 51.14 C ATOM 1565 O VAL A 112 4.454 1.273 15.274 1.00 25.24 O ATOM 1566 CB VAL A 112 3.579 -1.724 14.306 1.00 24.54 C ATOM 1567 CG1 VAL A 112 3.480 -1.784 15.841 1.00 52.44 C ATOM 1568 CG2 VAL A 112 2.182 -1.708 13.686 1.00 11.35 C ATOM 0 H VAL A 112 5.941 -0.618 15.232 1.00 42.33 H new ATOM 0 HA VAL A 112 4.357 -0.642 12.680 1.00 33.14 H new ATOM 0 HB VAL A 112 4.093 -2.634 13.997 1.00 24.54 H new ATOM 0 HG11 VAL A 112 2.832 -2.611 16.132 1.00 52.44 H new ATOM 0 HG12 VAL A 112 4.473 -1.935 16.264 1.00 52.44 H new ATOM 0 HG13 VAL A 112 3.065 -0.848 16.216 1.00 52.44 H new ATOM 0 HG21 VAL A 112 1.591 -2.525 14.100 1.00 11.35 H new ATOM 0 HG22 VAL A 112 1.695 -0.759 13.910 1.00 11.35 H new ATOM 0 HG23 VAL A 112 2.262 -1.829 12.606 1.00 11.35 H new ATOM 1578 N ASN A 113 3.447 1.608 13.286 1.00 4.42 N ATOM 1579 CA ASN A 113 3.024 2.982 13.561 1.00 23.01 C ATOM 1580 C ASN A 113 1.551 3.194 13.220 1.00 44.00 C ATOM 1581 O ASN A 113 1.187 3.197 12.046 1.00 72.25 O ATOM 1582 CB ASN A 113 3.913 3.997 12.828 1.00 5.04 C ATOM 1583 CG ASN A 113 5.085 4.458 13.677 1.00 64.32 C ATOM 1584 OD1 ASN A 113 4.933 5.347 14.512 1.00 3.10 O ATOM 1585 ND2 ASN A 113 6.261 3.895 13.488 1.00 55.04 N ATOM 0 H ASN A 113 3.207 1.288 12.348 1.00 4.42 H new ATOM 0 HA ASN A 113 3.141 3.149 14.632 1.00 23.01 H new ATOM 0 HB2 ASN A 113 4.288 3.550 11.908 1.00 5.04 H new ATOM 0 HB3 ASN A 113 3.313 4.861 12.541 1.00 5.04 H new ATOM 0 HD21 ASN A 113 7.065 4.195 14.039 1.00 55.04 H new ATOM 0 HD22 ASN A 113 6.368 3.159 12.790 1.00 55.04 H new ATOM 1592 N GLN A 114 0.710 3.432 14.226 1.00 12.01 N ATOM 1593 CA GLN A 114 -0.729 3.673 14.109 1.00 63.14 C ATOM 1594 C GLN A 114 -1.069 4.698 13.008 1.00 1.51 C ATOM 1595 O GLN A 114 -1.794 4.327 12.082 1.00 75.52 O ATOM 1596 CB GLN A 114 -1.285 4.035 15.506 1.00 35.34 C ATOM 1597 CG GLN A 114 -2.606 4.824 15.585 1.00 63.42 C ATOM 1598 CD GLN A 114 -3.789 4.147 14.907 1.00 14.34 C ATOM 1599 OE1 GLN A 114 -4.214 4.552 13.827 1.00 53.30 O ATOM 1600 NE2 GLN A 114 -4.356 3.124 15.514 1.00 63.21 N ATOM 0 H GLN A 114 1.030 3.464 15.194 1.00 12.01 H new ATOM 0 HA GLN A 114 -1.229 2.763 13.775 1.00 63.14 H new ATOM 0 HB2 GLN A 114 -1.419 3.107 16.061 1.00 35.34 H new ATOM 0 HB3 GLN A 114 -0.522 4.612 16.028 1.00 35.34 H new ATOM 0 HG2 GLN A 114 -2.852 4.992 16.634 1.00 63.42 H new ATOM 0 HG3 GLN A 114 -2.456 5.804 15.132 1.00 63.42 H new ATOM 0 HE21 GLN A 114 -3.994 2.798 16.410 1.00 63.21 H new ATOM 0 HE22 GLN A 114 -5.157 2.658 15.088 1.00 63.21 H new ATOM 1609 N PRO A 115 -0.586 5.957 13.059 1.00 45.13 N ATOM 1610 CA PRO A 115 -0.904 6.958 12.046 1.00 13.53 C ATOM 1611 C PRO A 115 -0.318 6.623 10.674 1.00 54.24 C ATOM 1612 O PRO A 115 -1.001 6.820 9.673 1.00 22.45 O ATOM 1613 CB PRO A 115 -0.390 8.292 12.586 1.00 74.01 C ATOM 1614 CG PRO A 115 0.742 7.870 13.511 1.00 15.30 C ATOM 1615 CD PRO A 115 0.278 6.537 14.075 1.00 4.34 C ATOM 0 HA PRO A 115 -1.980 6.995 11.874 1.00 13.53 H new ATOM 0 HB2 PRO A 115 -0.037 8.943 11.786 1.00 74.01 H new ATOM 0 HB3 PRO A 115 -1.167 8.838 13.121 1.00 74.01 H new ATOM 0 HG2 PRO A 115 1.683 7.769 12.970 1.00 15.30 H new ATOM 0 HG3 PRO A 115 0.906 8.603 14.301 1.00 15.30 H new ATOM 0 HD2 PRO A 115 1.126 5.885 14.286 1.00 4.34 H new ATOM 0 HD3 PRO A 115 -0.259 6.675 15.013 1.00 4.34 H new ATOM 1623 N PHE A 116 0.896 6.070 10.624 1.00 62.41 N ATOM 1624 CA PHE A 116 1.565 5.700 9.380 1.00 60.51 C ATOM 1625 C PHE A 116 0.711 4.702 8.596 1.00 70.13 C ATOM 1626 O PHE A 116 0.697 4.694 7.368 1.00 2.30 O ATOM 1627 CB PHE A 116 2.939 5.123 9.718 1.00 22.25 C ATOM 1628 CG PHE A 116 3.928 5.082 8.577 1.00 22.24 C ATOM 1629 CD1 PHE A 116 4.341 3.852 8.036 1.00 63.25 C ATOM 1630 CD2 PHE A 116 4.499 6.280 8.112 1.00 2.43 C ATOM 1631 CE1 PHE A 116 5.352 3.833 7.056 1.00 1.44 C ATOM 1632 CE2 PHE A 116 5.498 6.258 7.126 1.00 71.01 C ATOM 1633 CZ PHE A 116 5.934 5.029 6.607 1.00 14.42 C ATOM 0 H PHE A 116 1.447 5.865 11.458 1.00 62.41 H new ATOM 0 HA PHE A 116 1.697 6.577 8.747 1.00 60.51 H new ATOM 0 HB2 PHE A 116 3.371 5.710 10.528 1.00 22.25 H new ATOM 0 HB3 PHE A 116 2.805 4.109 10.096 1.00 22.25 H new ATOM 0 HD1 PHE A 116 3.887 2.930 8.369 1.00 63.25 H new ATOM 0 HD2 PHE A 116 4.166 7.224 8.517 1.00 2.43 H new ATOM 0 HE1 PHE A 116 5.683 2.890 6.646 1.00 1.44 H new ATOM 0 HE2 PHE A 116 5.929 7.182 6.769 1.00 71.01 H new ATOM 0 HZ PHE A 116 6.716 5.003 5.863 1.00 14.42 H new ATOM 1643 N ILE A 117 0.066 3.781 9.307 1.00 75.12 N ATOM 1644 CA ILE A 117 -0.828 2.786 8.739 1.00 2.22 C ATOM 1645 C ILE A 117 -2.185 3.441 8.404 1.00 50.12 C ATOM 1646 O ILE A 117 -2.805 3.132 7.385 1.00 71.41 O ATOM 1647 CB ILE A 117 -0.913 1.596 9.715 1.00 20.20 C ATOM 1648 CG1 ILE A 117 0.469 0.913 9.834 1.00 70.42 C ATOM 1649 CG2 ILE A 117 -1.923 0.566 9.204 1.00 53.14 C ATOM 1650 CD1 ILE A 117 0.596 -0.014 11.040 1.00 73.32 C ATOM 0 H ILE A 117 0.156 3.707 10.320 1.00 75.12 H new ATOM 0 HA ILE A 117 -0.454 2.391 7.794 1.00 2.22 H new ATOM 0 HB ILE A 117 -1.229 1.971 10.688 1.00 20.20 H new ATOM 0 HG12 ILE A 117 0.661 0.341 8.926 1.00 70.42 H new ATOM 0 HG13 ILE A 117 1.240 1.681 9.895 1.00 70.42 H new ATOM 0 HG21 ILE A 117 -1.975 -0.270 9.901 1.00 53.14 H new ATOM 0 HG22 ILE A 117 -2.906 1.030 9.121 1.00 53.14 H new ATOM 0 HG23 ILE A 117 -1.609 0.203 8.225 1.00 53.14 H new ATOM 0 HD11 ILE A 117 1.592 -0.456 11.056 1.00 73.32 H new ATOM 0 HD12 ILE A 117 0.437 0.556 11.955 1.00 73.32 H new ATOM 0 HD13 ILE A 117 -0.151 -0.805 10.971 1.00 73.32 H new ATOM 1662 N ASN A 118 -2.679 4.315 9.291 1.00 60.21 N ATOM 1663 CA ASN A 118 -3.955 5.014 9.151 1.00 43.41 C ATOM 1664 C ASN A 118 -4.029 5.852 7.883 1.00 2.52 C ATOM 1665 O ASN A 118 -4.993 5.709 7.142 1.00 55.40 O ATOM 1666 CB ASN A 118 -4.224 5.910 10.364 1.00 44.02 C ATOM 1667 CG ASN A 118 -5.495 6.731 10.196 1.00 73.01 C ATOM 1668 OD1 ASN A 118 -5.447 7.939 10.013 1.00 0.31 O ATOM 1669 ND2 ASN A 118 -6.659 6.116 10.278 1.00 23.33 N ATOM 0 H ASN A 118 -2.185 4.559 10.149 1.00 60.21 H new ATOM 0 HA ASN A 118 -4.719 4.240 9.087 1.00 43.41 H new ATOM 0 HB2 ASN A 118 -4.306 5.293 11.259 1.00 44.02 H new ATOM 0 HB3 ASN A 118 -3.377 6.580 10.515 1.00 44.02 H new ATOM 0 HD21 ASN A 118 -7.524 6.648 10.189 1.00 23.33 H new ATOM 0 HD22 ASN A 118 -6.694 5.108 10.431 1.00 23.33 H new ATOM 1676 N GLU A 119 -3.029 6.688 7.607 1.00 4.13 N ATOM 1677 CA GLU A 119 -3.003 7.549 6.425 1.00 10.12 C ATOM 1678 C GLU A 119 -3.208 6.754 5.124 1.00 3.24 C ATOM 1679 O GLU A 119 -3.795 7.276 4.176 1.00 1.53 O ATOM 1680 CB GLU A 119 -1.694 8.362 6.407 1.00 23.31 C ATOM 1681 CG GLU A 119 -0.470 7.476 6.156 1.00 54.12 C ATOM 1682 CD GLU A 119 0.872 8.167 6.416 1.00 55.14 C ATOM 1683 OE1 GLU A 119 1.132 8.659 7.540 1.00 63.14 O ATOM 1684 OE2 GLU A 119 1.712 8.189 5.484 1.00 63.33 O ATOM 0 H GLU A 119 -2.207 6.788 8.203 1.00 4.13 H new ATOM 0 HA GLU A 119 -3.842 8.243 6.484 1.00 10.12 H new ATOM 0 HB2 GLU A 119 -1.753 9.126 5.632 1.00 23.31 H new ATOM 0 HB3 GLU A 119 -1.577 8.881 7.358 1.00 23.31 H new ATOM 0 HG2 GLU A 119 -0.539 6.592 6.790 1.00 54.12 H new ATOM 0 HG3 GLU A 119 -0.493 7.129 5.123 1.00 54.12 H new ATOM 1691 N ILE A 120 -2.744 5.499 5.080 1.00 51.24 N ATOM 1692 CA ILE A 120 -2.864 4.616 3.926 1.00 23.13 C ATOM 1693 C ILE A 120 -4.305 4.107 3.832 1.00 45.31 C ATOM 1694 O ILE A 120 -4.831 3.963 2.725 1.00 15.14 O ATOM 1695 CB ILE A 120 -1.828 3.468 4.035 1.00 2.41 C ATOM 1696 CG1 ILE A 120 -0.371 3.974 4.093 1.00 53.23 C ATOM 1697 CG2 ILE A 120 -1.963 2.432 2.908 1.00 70.14 C ATOM 1698 CD1 ILE A 120 0.140 4.626 2.803 1.00 73.20 C ATOM 0 H ILE A 120 -2.264 5.064 5.868 1.00 51.24 H new ATOM 0 HA ILE A 120 -2.645 5.154 3.004 1.00 23.13 H new ATOM 0 HB ILE A 120 -2.060 2.981 4.982 1.00 2.41 H new ATOM 0 HG12 ILE A 120 -0.285 4.695 4.906 1.00 53.23 H new ATOM 0 HG13 ILE A 120 0.280 3.135 4.341 1.00 53.23 H new ATOM 0 HG21 ILE A 120 -1.211 1.653 3.038 1.00 70.14 H new ATOM 0 HG22 ILE A 120 -2.957 1.986 2.941 1.00 70.14 H new ATOM 0 HG23 ILE A 120 -1.816 2.921 1.945 1.00 70.14 H new ATOM 0 HD11 ILE A 120 1.172 4.949 2.942 1.00 73.20 H new ATOM 0 HD12 ILE A 120 0.092 3.905 1.987 1.00 73.20 H new ATOM 0 HD13 ILE A 120 -0.480 5.489 2.561 1.00 73.20 H new ATOM 1710 N THR A 121 -4.933 3.741 4.952 1.00 42.12 N ATOM 1711 CA THR A 121 -6.317 3.269 4.923 1.00 11.32 C ATOM 1712 C THR A 121 -7.285 4.429 4.659 1.00 72.31 C ATOM 1713 O THR A 121 -8.300 4.233 3.982 1.00 31.31 O ATOM 1714 CB THR A 121 -6.637 2.385 6.135 1.00 74.15 C ATOM 1715 OG1 THR A 121 -6.300 2.975 7.376 1.00 2.24 O ATOM 1716 CG2 THR A 121 -5.840 1.084 6.018 1.00 14.54 C ATOM 0 H THR A 121 -4.510 3.762 5.880 1.00 42.12 H new ATOM 0 HA THR A 121 -6.459 2.600 4.074 1.00 11.32 H new ATOM 0 HB THR A 121 -7.715 2.226 6.123 1.00 74.15 H new ATOM 0 HG1 THR A 121 -5.973 3.887 7.227 1.00 2.24 H new ATOM 0 HG21 THR A 121 -6.058 0.445 6.874 1.00 14.54 H new ATOM 0 HG22 THR A 121 -6.119 0.568 5.100 1.00 14.54 H new ATOM 0 HG23 THR A 121 -4.774 1.311 5.997 1.00 14.54 H new ATOM 1724 N GLN A 122 -6.949 5.641 5.118 1.00 54.32 N ATOM 1725 CA GLN A 122 -7.761 6.831 4.910 1.00 20.12 C ATOM 1726 C GLN A 122 -7.900 7.039 3.408 1.00 42.24 C ATOM 1727 O GLN A 122 -9.028 7.156 2.928 1.00 23.52 O ATOM 1728 CB GLN A 122 -7.145 8.073 5.567 1.00 1.41 C ATOM 1729 CG GLN A 122 -7.388 8.115 7.078 1.00 4.13 C ATOM 1730 CD GLN A 122 -7.054 9.491 7.648 1.00 75.14 C ATOM 1731 OE1 GLN A 122 -5.958 10.017 7.478 1.00 11.21 O ATOM 1732 NE2 GLN A 122 -8.002 10.101 8.336 1.00 10.23 N ATOM 0 H GLN A 122 -6.096 5.817 5.649 1.00 54.32 H new ATOM 0 HA GLN A 122 -8.736 6.687 5.376 1.00 20.12 H new ATOM 0 HB2 GLN A 122 -6.072 8.089 5.374 1.00 1.41 H new ATOM 0 HB3 GLN A 122 -7.565 8.969 5.109 1.00 1.41 H new ATOM 0 HG2 GLN A 122 -8.430 7.873 7.289 1.00 4.13 H new ATOM 0 HG3 GLN A 122 -6.779 7.356 7.569 1.00 4.13 H new ATOM 0 HE21 GLN A 122 -8.907 9.650 8.468 1.00 10.23 H new ATOM 0 HE22 GLN A 122 -7.829 11.023 8.736 1.00 10.23 H new ATOM 1741 N LEU A 123 -6.784 6.984 2.667 1.00 2.21 N ATOM 1742 CA LEU A 123 -6.756 7.153 1.216 1.00 1.24 C ATOM 1743 C LEU A 123 -7.732 6.196 0.522 1.00 14.43 C ATOM 1744 O LEU A 123 -8.315 6.574 -0.492 1.00 40.14 O ATOM 1745 CB LEU A 123 -5.328 6.938 0.680 1.00 22.04 C ATOM 1746 CG LEU A 123 -4.376 8.132 0.877 1.00 14.44 C ATOM 1747 CD1 LEU A 123 -2.922 7.668 0.717 1.00 11.00 C ATOM 1748 CD2 LEU A 123 -4.650 9.240 -0.145 1.00 33.12 C ATOM 0 H LEU A 123 -5.862 6.818 3.071 1.00 2.21 H new ATOM 0 HA LEU A 123 -7.070 8.173 0.993 1.00 1.24 H new ATOM 0 HB2 LEU A 123 -4.899 6.065 1.171 1.00 22.04 H new ATOM 0 HB3 LEU A 123 -5.385 6.709 -0.384 1.00 22.04 H new ATOM 0 HG LEU A 123 -4.544 8.527 1.879 1.00 14.44 H new ATOM 0 HD11 LEU A 123 -2.252 8.516 0.857 1.00 11.00 H new ATOM 0 HD12 LEU A 123 -2.700 6.903 1.461 1.00 11.00 H new ATOM 0 HD13 LEU A 123 -2.780 7.254 -0.281 1.00 11.00 H new ATOM 0 HD21 LEU A 123 -3.961 10.068 0.022 1.00 33.12 H new ATOM 0 HD22 LEU A 123 -4.509 8.849 -1.153 1.00 33.12 H new ATOM 0 HD23 LEU A 123 -5.675 9.593 -0.033 1.00 33.12 H new ATOM 1760 N VAL A 124 -7.929 4.971 1.020 1.00 11.12 N ATOM 1761 CA VAL A 124 -8.864 4.029 0.407 1.00 75.24 C ATOM 1762 C VAL A 124 -10.294 4.511 0.657 1.00 25.02 C ATOM 1763 O VAL A 124 -11.068 4.649 -0.289 1.00 73.41 O ATOM 1764 CB VAL A 124 -8.656 2.608 0.968 1.00 33.25 C ATOM 1765 CG1 VAL A 124 -9.619 1.583 0.356 1.00 51.21 C ATOM 1766 CG2 VAL A 124 -7.238 2.129 0.675 1.00 13.12 C ATOM 0 H VAL A 124 -7.452 4.611 1.846 1.00 11.12 H new ATOM 0 HA VAL A 124 -8.682 3.986 -0.667 1.00 75.24 H new ATOM 0 HB VAL A 124 -8.843 2.676 2.040 1.00 33.25 H new ATOM 0 HG11 VAL A 124 -9.427 0.601 0.788 1.00 51.21 H new ATOM 0 HG12 VAL A 124 -10.647 1.878 0.567 1.00 51.21 H new ATOM 0 HG13 VAL A 124 -9.468 1.541 -0.723 1.00 51.21 H new ATOM 0 HG21 VAL A 124 -7.103 1.124 1.076 1.00 13.12 H new ATOM 0 HG22 VAL A 124 -7.074 2.115 -0.403 1.00 13.12 H new ATOM 0 HG23 VAL A 124 -6.522 2.805 1.142 1.00 13.12 H new ATOM 1776 N SER A 125 -10.634 4.795 1.919 1.00 44.23 N ATOM 1777 CA SER A 125 -11.964 5.248 2.310 1.00 73.24 C ATOM 1778 C SER A 125 -12.370 6.542 1.588 1.00 40.03 C ATOM 1779 O SER A 125 -13.526 6.734 1.206 1.00 53.34 O ATOM 1780 CB SER A 125 -11.995 5.373 3.841 1.00 24.43 C ATOM 1781 OG SER A 125 -11.297 6.502 4.341 1.00 24.10 O ATOM 0 H SER A 125 -9.984 4.715 2.701 1.00 44.23 H new ATOM 0 HA SER A 125 -12.712 4.517 2.002 1.00 73.24 H new ATOM 0 HB2 SER A 125 -13.033 5.425 4.170 1.00 24.43 H new ATOM 0 HB3 SER A 125 -11.567 4.471 4.278 1.00 24.43 H new ATOM 0 HG SER A 125 -10.591 6.756 3.710 1.00 24.10 H new ATOM 1787 N MET A 126 -11.403 7.441 1.411 1.00 24.02 N ATOM 1788 CA MET A 126 -11.559 8.722 0.758 1.00 70.33 C ATOM 1789 C MET A 126 -11.687 8.550 -0.758 1.00 32.03 C ATOM 1790 O MET A 126 -12.456 9.282 -1.376 1.00 12.15 O ATOM 1791 CB MET A 126 -10.369 9.603 1.144 1.00 45.55 C ATOM 1792 CG MET A 126 -10.642 11.089 0.894 1.00 43.13 C ATOM 1793 SD MET A 126 -9.288 12.191 1.377 1.00 43.14 S ATOM 1794 CE MET A 126 -7.922 11.443 0.452 1.00 0.13 C ATOM 0 H MET A 126 -10.450 7.281 1.737 1.00 24.02 H new ATOM 0 HA MET A 126 -12.479 9.206 1.086 1.00 70.33 H new ATOM 0 HB2 MET A 126 -10.134 9.451 2.197 1.00 45.55 H new ATOM 0 HB3 MET A 126 -9.492 9.296 0.574 1.00 45.55 H new ATOM 0 HG2 MET A 126 -10.852 11.234 -0.166 1.00 43.13 H new ATOM 0 HG3 MET A 126 -11.541 11.377 1.439 1.00 43.13 H new ATOM 0 HE1 MET A 126 -7.102 12.157 0.373 1.00 0.13 H new ATOM 0 HE2 MET A 126 -7.576 10.550 0.972 1.00 0.13 H new ATOM 0 HE3 MET A 126 -8.264 11.171 -0.547 1.00 0.13 H new ATOM 1804 N PHE A 127 -10.966 7.609 -1.379 1.00 42.14 N ATOM 1805 CA PHE A 127 -11.056 7.407 -2.825 1.00 32.32 C ATOM 1806 C PHE A 127 -12.359 6.707 -3.201 1.00 43.22 C ATOM 1807 O PHE A 127 -13.026 7.122 -4.144 1.00 2.13 O ATOM 1808 CB PHE A 127 -9.828 6.674 -3.368 1.00 41.41 C ATOM 1809 CG PHE A 127 -9.683 6.754 -4.881 1.00 41.40 C ATOM 1810 CD1 PHE A 127 -8.720 7.615 -5.445 1.00 52.23 C ATOM 1811 CD2 PHE A 127 -10.526 6.012 -5.733 1.00 42.42 C ATOM 1812 CE1 PHE A 127 -8.625 7.761 -6.841 1.00 4.23 C ATOM 1813 CE2 PHE A 127 -10.436 6.167 -7.127 1.00 50.04 C ATOM 1814 CZ PHE A 127 -9.496 7.049 -7.681 1.00 45.41 C ATOM 0 H PHE A 127 -10.318 6.980 -0.904 1.00 42.14 H new ATOM 0 HA PHE A 127 -11.069 8.388 -3.300 1.00 32.32 H new ATOM 0 HB2 PHE A 127 -8.934 7.090 -2.904 1.00 41.41 H new ATOM 0 HB3 PHE A 127 -9.882 5.626 -3.073 1.00 41.41 H new ATOM 0 HD1 PHE A 127 -8.051 8.166 -4.801 1.00 52.23 H new ATOM 0 HD2 PHE A 127 -11.243 5.322 -5.313 1.00 42.42 H new ATOM 0 HE1 PHE A 127 -7.883 8.420 -7.266 1.00 4.23 H new ATOM 0 HE2 PHE A 127 -11.093 5.605 -7.774 1.00 50.04 H new ATOM 0 HZ PHE A 127 -9.443 7.180 -8.752 1.00 45.41 H new ATOM 1824 N ALA A 128 -12.777 5.702 -2.425 1.00 1.53 N ATOM 1825 CA ALA A 128 -13.993 4.939 -2.685 1.00 64.34 C ATOM 1826 C ALA A 128 -15.263 5.789 -2.769 1.00 11.33 C ATOM 1827 O ALA A 128 -16.282 5.322 -3.282 1.00 21.10 O ATOM 1828 CB ALA A 128 -14.174 3.897 -1.583 1.00 51.22 C ATOM 0 H ALA A 128 -12.274 5.396 -1.592 1.00 1.53 H new ATOM 0 HA ALA A 128 -13.860 4.480 -3.665 1.00 64.34 H new ATOM 0 HB1 ALA A 128 -15.081 3.323 -1.771 1.00 51.22 H new ATOM 0 HB2 ALA A 128 -13.315 3.226 -1.572 1.00 51.22 H new ATOM 0 HB3 ALA A 128 -14.255 4.398 -0.618 1.00 51.22 H new ATOM 1834 N GLN A 129 -15.260 6.998 -2.208 1.00 72.22 N ATOM 1835 CA GLN A 129 -16.409 7.896 -2.231 1.00 43.54 C ATOM 1836 C GLN A 129 -16.288 8.920 -3.361 1.00 44.32 C ATOM 1837 O GLN A 129 -17.287 9.325 -3.959 1.00 61.13 O ATOM 1838 CB GLN A 129 -16.564 8.569 -0.859 1.00 25.13 C ATOM 1839 CG GLN A 129 -15.332 9.349 -0.384 1.00 30.44 C ATOM 1840 CD GLN A 129 -15.499 9.966 0.996 1.00 45.24 C ATOM 1841 OE1 GLN A 129 -15.968 11.098 1.129 1.00 72.40 O ATOM 1842 NE2 GLN A 129 -15.096 9.263 2.042 1.00 11.12 N ATOM 0 H GLN A 129 -14.451 7.383 -1.721 1.00 72.22 H new ATOM 0 HA GLN A 129 -17.311 7.317 -2.431 1.00 43.54 H new ATOM 0 HB2 GLN A 129 -17.415 9.249 -0.897 1.00 25.13 H new ATOM 0 HB3 GLN A 129 -16.800 7.804 -0.119 1.00 25.13 H new ATOM 0 HG2 GLN A 129 -14.471 8.681 -0.373 1.00 30.44 H new ATOM 0 HG3 GLN A 129 -15.113 10.139 -1.102 1.00 30.44 H new ATOM 0 HE21 GLN A 129 -14.711 8.328 1.910 1.00 11.12 H new ATOM 0 HE22 GLN A 129 -15.171 9.656 2.980 1.00 11.12 H new ATOM 1851 N ALA A 130 -15.060 9.348 -3.641 1.00 23.44 N ATOM 1852 CA ALA A 130 -14.737 10.321 -4.666 1.00 1.52 C ATOM 1853 C ALA A 130 -13.319 10.099 -5.181 1.00 4.23 C ATOM 1854 O ALA A 130 -12.360 10.234 -4.423 1.00 11.22 O ATOM 1855 CB ALA A 130 -14.848 11.723 -4.052 1.00 60.10 C ATOM 0 H ALA A 130 -14.238 9.012 -3.140 1.00 23.44 H new ATOM 0 HA ALA A 130 -15.427 10.216 -5.503 1.00 1.52 H new ATOM 0 HB1 ALA A 130 -14.609 12.471 -4.808 1.00 60.10 H new ATOM 0 HB2 ALA A 130 -15.864 11.883 -3.692 1.00 60.10 H new ATOM 0 HB3 ALA A 130 -14.150 11.812 -3.220 1.00 60.10 H new ATOM 1861 N GLY A 131 -13.157 9.829 -6.472 1.00 33.33 N ATOM 1862 CA GLY A 131 -11.848 9.620 -7.077 1.00 0.31 C ATOM 1863 C GLY A 131 -11.283 10.921 -7.656 1.00 25.21 C ATOM 1864 O GLY A 131 -10.529 10.857 -8.629 1.00 43.35 O ATOM 0 H GLY A 131 -13.933 9.749 -7.130 1.00 33.33 H new ATOM 0 HA2 GLY A 131 -11.160 9.224 -6.330 1.00 0.31 H new ATOM 0 HA3 GLY A 131 -11.926 8.873 -7.867 1.00 0.31 H new ATOM 1868 N MET A 132 -11.692 12.096 -7.159 1.00 72.42 N ATOM 1869 CA MET A 132 -11.219 13.390 -7.655 1.00 65.41 C ATOM 1870 C MET A 132 -9.716 13.523 -7.416 1.00 4.52 C ATOM 1871 O MET A 132 -9.191 12.966 -6.450 1.00 61.33 O ATOM 1872 CB MET A 132 -11.970 14.537 -6.955 1.00 35.43 C ATOM 1873 CG MET A 132 -11.752 15.909 -7.604 1.00 65.35 C ATOM 1874 SD MET A 132 -12.828 17.225 -6.977 1.00 43.13 S ATOM 1875 CE MET A 132 -14.355 16.817 -7.865 1.00 11.40 C ATOM 0 H MET A 132 -12.365 12.173 -6.396 1.00 72.42 H new ATOM 0 HA MET A 132 -11.414 13.448 -8.726 1.00 65.41 H new ATOM 0 HB2 MET A 132 -13.037 14.312 -6.953 1.00 35.43 H new ATOM 0 HB3 MET A 132 -11.652 14.584 -5.913 1.00 35.43 H new ATOM 0 HG2 MET A 132 -10.714 16.205 -7.454 1.00 65.35 H new ATOM 0 HG3 MET A 132 -11.905 15.815 -8.679 1.00 65.35 H new ATOM 0 HE1 MET A 132 -14.598 17.622 -8.559 1.00 11.40 H new ATOM 0 HE2 MET A 132 -14.216 15.889 -8.420 1.00 11.40 H new ATOM 0 HE3 MET A 132 -15.170 16.695 -7.151 1.00 11.40 H new ATOM 1885 N ASN A 133 -9.014 14.243 -8.289 1.00 63.44 N ATOM 1886 CA ASN A 133 -7.580 14.473 -8.172 1.00 3.20 C ATOM 1887 C ASN A 133 -7.333 15.940 -8.501 1.00 72.32 C ATOM 1888 O ASN A 133 -6.945 16.292 -9.618 1.00 34.33 O ATOM 1889 CB ASN A 133 -6.767 13.495 -9.032 1.00 2.42 C ATOM 1890 CG ASN A 133 -5.268 13.655 -8.791 1.00 23.02 C ATOM 1891 OD1 ASN A 133 -4.651 12.898 -8.039 1.00 71.11 O ATOM 1892 ND2 ASN A 133 -4.654 14.648 -9.401 1.00 1.51 N ATOM 0 H ASN A 133 -9.432 14.687 -9.106 1.00 63.44 H new ATOM 0 HA ASN A 133 -7.234 14.274 -7.158 1.00 3.20 H new ATOM 0 HB2 ASN A 133 -7.067 12.472 -8.804 1.00 2.42 H new ATOM 0 HB3 ASN A 133 -6.988 13.665 -10.086 1.00 2.42 H new ATOM 0 HD21 ASN A 133 -3.656 14.798 -9.254 1.00 1.51 H new ATOM 0 HD22 ASN A 133 -5.177 15.267 -10.021 1.00 1.51 H new ATOM 1899 N ASP A 134 -7.614 16.787 -7.514 1.00 24.44 N ATOM 1900 CA ASP A 134 -7.460 18.238 -7.548 1.00 54.00 C ATOM 1901 C ASP A 134 -5.997 18.549 -7.859 1.00 3.11 C ATOM 1902 O ASP A 134 -5.112 17.729 -7.571 1.00 33.14 O ATOM 1903 CB ASP A 134 -7.777 18.880 -6.176 1.00 53.22 C ATOM 1904 CG ASP A 134 -9.021 18.383 -5.437 1.00 15.53 C ATOM 1905 OD1 ASP A 134 -9.124 17.157 -5.193 1.00 41.30 O ATOM 1906 OD2 ASP A 134 -9.828 19.213 -4.962 1.00 63.13 O ATOM 0 H ASP A 134 -7.976 16.460 -6.618 1.00 24.44 H new ATOM 0 HA ASP A 134 -8.146 18.636 -8.296 1.00 54.00 H new ATOM 0 HB2 ASP A 134 -6.916 18.728 -5.526 1.00 53.22 H new ATOM 0 HB3 ASP A 134 -7.879 19.955 -6.323 1.00 53.22 H new ATOM 1911 N VAL A 135 -5.682 19.736 -8.376 1.00 61.22 N ATOM 1912 CA VAL A 135 -4.297 20.073 -8.674 1.00 1.13 C ATOM 1913 C VAL A 135 -4.089 21.585 -8.668 1.00 70.31 C ATOM 1914 O VAL A 135 -4.942 22.337 -9.141 1.00 14.35 O ATOM 1915 CB VAL A 135 -3.873 19.385 -9.988 1.00 45.44 C ATOM 1916 CG1 VAL A 135 -4.741 19.741 -11.202 1.00 21.33 C ATOM 1917 CG2 VAL A 135 -2.389 19.646 -10.238 1.00 42.33 C ATOM 0 H VAL A 135 -6.358 20.468 -8.593 1.00 61.22 H new ATOM 0 HA VAL A 135 -3.640 19.692 -7.892 1.00 1.13 H new ATOM 0 HB VAL A 135 -4.038 18.315 -9.858 1.00 45.44 H new ATOM 0 HG11 VAL A 135 -4.371 19.213 -12.081 1.00 21.33 H new ATOM 0 HG12 VAL A 135 -5.773 19.448 -11.010 1.00 21.33 H new ATOM 0 HG13 VAL A 135 -4.696 20.816 -11.379 1.00 21.33 H new ATOM 0 HG21 VAL A 135 -2.086 19.161 -11.166 1.00 42.33 H new ATOM 0 HG22 VAL A 135 -2.216 20.719 -10.316 1.00 42.33 H new ATOM 0 HG23 VAL A 135 -1.804 19.244 -9.411 1.00 42.33 H new ATOM 1927 N SER A 136 -2.956 22.020 -8.118 1.00 73.24 N ATOM 1928 CA SER A 136 -2.556 23.411 -8.021 1.00 0.31 C ATOM 1929 C SER A 136 -2.024 23.925 -9.369 1.00 61.12 C ATOM 1930 O SER A 136 -1.730 23.154 -10.297 1.00 2.32 O ATOM 1931 CB SER A 136 -1.512 23.516 -6.896 1.00 61.44 C ATOM 1932 OG SER A 136 -0.517 22.511 -7.043 1.00 71.22 O ATOM 0 H SER A 136 -2.269 21.383 -7.714 1.00 73.24 H new ATOM 0 HA SER A 136 -3.409 24.045 -7.779 1.00 0.31 H new ATOM 0 HB2 SER A 136 -1.047 24.502 -6.915 1.00 61.44 H new ATOM 0 HB3 SER A 136 -2.001 23.413 -5.927 1.00 61.44 H new ATOM 0 HG SER A 136 0.140 22.593 -6.321 1.00 71.22 H new ATOM 1938 N ALA A 137 -1.913 25.246 -9.486 1.00 1.44 N ATOM 1939 CA ALA A 137 -1.419 25.962 -10.654 1.00 2.41 C ATOM 1940 C ALA A 137 -0.705 27.218 -10.170 1.00 73.21 C ATOM 1941 O ALA A 137 -0.208 27.232 -9.023 1.00 24.03 O ATOM 1942 CB ALA A 137 -2.576 26.288 -11.610 1.00 33.53 C ATOM 0 H ALA A 137 -2.179 25.876 -8.729 1.00 1.44 H new ATOM 0 HA ALA A 137 -0.715 25.347 -11.215 1.00 2.41 H new ATOM 0 HB1 ALA A 137 -2.191 26.823 -12.478 1.00 33.53 H new ATOM 0 HB2 ALA A 137 -3.051 25.362 -11.936 1.00 33.53 H new ATOM 0 HB3 ALA A 137 -3.309 26.910 -11.096 1.00 33.53 H new TER 1948 ALA A 137