USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1107 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 31 HIS : no HD1:sc= -0.282 K(o=-2.5,f=-5.6) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= -0.914 F(o=-3.8,f=-2.5) USER MOD Set 1.3: A 100 GLN : amide:sc= -1.35 K(o=-2.5,f=-7.2!) USER MOD Set 2.1: A 45 MET CE :methyl 175:sc= -0.0835 (180deg=-0.0585) USER MOD Set 2.2: A 49 HIS : no HE2:sc= -0.939 K(o=0.18,f=-2.3) USER MOD Set 2.3: A 53 SER OG : rot 52:sc= 1.21 USER MOD Set 3.1: A 36 GLN : amide:sc= -0.111 X(o=0.05,f=0.011) USER MOD Set 3.2: A 105 CYS SG : rot 142:sc= 0.161 USER MOD Set 4.1: A 20 MET CE :methyl -110:sc= -1.02 (180deg=-4.01!) USER MOD Set 4.2: A 63 MET CE :methyl -178:sc= -0.208 (180deg=-0.241) USER MOD Single : A 1 GLY N :NH3+ -171:sc= -0.137 (180deg=-0.389) USER MOD Single : A 2 SER OG : rot 23:sc= 1.26 USER MOD Single : A 8 THR OG1 : rot -33:sc= 0.302 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -57:sc= 1.8 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0.06) USER MOD Single : A 17 MET CE :methyl -164:sc= -0.543 (180deg=-0.886) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -134:sc= -0.126 (180deg=-0.395) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.885 K(o=0.88,f=-0.27) USER MOD Single : A 35 CYS SG : rot -80:sc= -0.457 USER MOD Single : A 38 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.025) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0525 X(o=-0.052,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0123) USER MOD Single : A 64 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.429) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 1.35 K(o=1.3,f=-0.24) USER MOD Single : A 79 SER OG : rot 63:sc= 0.0377 USER MOD Single : A 83 THR OG1 : rot -41:sc= 0.505 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0.266 USER MOD Single : A 107 LYS NZ :NH3+ 149:sc= -0.126 (180deg=-1.34!) USER MOD Single : A 113 SER OG : rot -47:sc= 0.425 USER MOD Single : A 114 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0357) USER MOD Single : A 117 GLN : amide:sc= 0.753 K(o=0.75,f=-0.14) USER MOD Single : A 119 GLN : amide:sc= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 122 HIS : no HE2:sc= -0.584 K(o=-0.58,f=-2.6) USER MOD Single : A 131 HIS : no HD1:sc= -0.0313 X(o=-0.031,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.177 24.956 27.585 1.00 0.00 N ATOM 2 CA GLY A 1 -24.211 24.161 26.961 1.00 0.00 C ATOM 3 C GLY A 1 -23.709 22.777 26.705 1.00 0.00 C ATOM 4 O GLY A 1 -24.478 21.853 26.442 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.578 25.863 27.897 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.795 24.445 28.406 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.414 25.132 26.901 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.090 24.124 27.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.520 24.623 26.024 1.00 0.00 H new ATOM 8 N SER A 2 -22.374 22.595 26.764 1.00 0.00 N ATOM 9 CA SER A 2 -21.652 21.342 26.573 1.00 0.00 C ATOM 10 C SER A 2 -20.193 21.649 26.905 1.00 0.00 C ATOM 11 O SER A 2 -19.834 22.825 26.821 1.00 0.00 O ATOM 12 CB SER A 2 -21.784 20.738 25.139 1.00 0.00 C ATOM 13 OG SER A 2 -23.075 20.155 24.964 1.00 0.00 O ATOM 0 H SER A 2 -21.743 23.372 26.959 1.00 0.00 H new ATOM 0 HA SER A 2 -22.079 20.577 27.221 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.625 21.517 24.393 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.013 19.984 24.982 1.00 0.00 H new ATOM 0 HG SER A 2 -23.706 20.561 25.594 1.00 0.00 H new ATOM 19 N PRO A 3 -19.311 20.703 27.315 1.00 0.00 N ATOM 20 CA PRO A 3 -17.928 20.981 27.732 1.00 0.00 C ATOM 21 C PRO A 3 -16.926 21.155 26.570 1.00 0.00 C ATOM 22 O PRO A 3 -17.288 21.076 25.396 1.00 0.00 O ATOM 23 CB PRO A 3 -17.565 19.755 28.620 1.00 0.00 C ATOM 24 CG PRO A 3 -18.889 19.016 28.867 1.00 0.00 C ATOM 25 CD PRO A 3 -19.654 19.309 27.583 1.00 0.00 C ATOM 0 HA PRO A 3 -17.864 21.939 28.248 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.843 19.109 28.120 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -17.112 20.072 29.559 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -18.738 17.947 29.018 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -19.409 19.392 29.748 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -19.346 18.653 26.769 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -20.728 19.174 27.712 1.00 0.00 H new ATOM 33 N GLU A 4 -15.629 21.365 26.897 1.00 0.00 N ATOM 34 CA GLU A 4 -14.532 21.505 25.942 1.00 0.00 C ATOM 35 C GLU A 4 -13.610 20.298 26.025 1.00 0.00 C ATOM 36 O GLU A 4 -13.519 19.624 27.048 1.00 0.00 O ATOM 37 CB GLU A 4 -13.732 22.831 26.100 1.00 0.00 C ATOM 38 CG GLU A 4 -13.217 23.149 27.520 1.00 0.00 C ATOM 39 CD GLU A 4 -12.357 24.413 27.475 1.00 0.00 C ATOM 40 OE1 GLU A 4 -12.899 25.488 27.102 1.00 0.00 O ATOM 41 OE2 GLU A 4 -11.147 24.322 27.817 1.00 0.00 O ATOM 0 H GLU A 4 -15.320 21.442 27.866 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.984 21.551 24.951 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.877 22.798 25.424 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.366 23.655 25.772 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.057 23.291 28.200 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.634 22.312 27.904 1.00 0.00 H new ATOM 48 N PHE A 5 -12.904 19.996 24.905 1.00 0.00 N ATOM 49 CA PHE A 5 -12.027 18.834 24.760 1.00 0.00 C ATOM 50 C PHE A 5 -10.611 19.269 24.442 1.00 0.00 C ATOM 51 O PHE A 5 -9.895 18.647 23.661 1.00 0.00 O ATOM 52 CB PHE A 5 -12.551 17.826 23.692 1.00 0.00 C ATOM 53 CG PHE A 5 -13.952 17.385 24.068 1.00 0.00 C ATOM 54 CD1 PHE A 5 -14.143 16.538 25.150 1.00 0.00 C ATOM 55 CD2 PHE A 5 -15.075 17.863 23.404 1.00 0.00 C ATOM 56 CE1 PHE A 5 -15.413 16.185 25.562 1.00 0.00 C ATOM 57 CE2 PHE A 5 -16.346 17.505 23.813 1.00 0.00 C ATOM 58 CZ PHE A 5 -16.519 16.669 24.896 1.00 0.00 C ATOM 0 H PHE A 5 -12.938 20.575 24.066 1.00 0.00 H new ATOM 0 HA PHE A 5 -12.026 18.311 25.716 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -12.556 18.292 22.706 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -11.888 16.962 23.634 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -13.285 16.149 25.678 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -14.953 18.523 22.558 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -15.540 15.527 26.409 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -17.208 17.882 23.282 1.00 0.00 H new ATOM 0 HZ PHE A 5 -17.512 16.396 25.220 1.00 0.00 H new ATOM 68 N ARG A 6 -10.125 20.343 25.122 1.00 0.00 N ATOM 69 CA ARG A 6 -8.787 20.939 25.014 1.00 0.00 C ATOM 70 C ARG A 6 -7.757 20.223 25.905 1.00 0.00 C ATOM 71 O ARG A 6 -6.822 20.803 26.453 1.00 0.00 O ATOM 72 CB ARG A 6 -8.872 22.439 25.411 1.00 0.00 C ATOM 73 CG ARG A 6 -9.923 23.263 24.635 1.00 0.00 C ATOM 74 CD ARG A 6 -9.802 23.257 23.104 1.00 0.00 C ATOM 75 NE ARG A 6 -8.464 23.827 22.718 1.00 0.00 N ATOM 76 CZ ARG A 6 -8.030 23.903 21.422 1.00 0.00 C ATOM 77 NH1 ARG A 6 -8.812 23.462 20.394 1.00 0.00 N ATOM 78 NH2 ARG A 6 -6.799 24.429 21.156 1.00 0.00 N ATOM 0 H ARG A 6 -10.703 20.839 25.800 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.451 20.832 23.983 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.095 22.505 26.476 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.893 22.895 25.262 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.913 22.891 24.901 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -9.868 24.296 24.978 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.903 22.241 22.722 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.605 23.846 22.660 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.852 24.173 23.457 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.733 23.069 20.586 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.475 23.525 19.433 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.211 24.762 21.920 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.467 24.490 20.193 1.00 0.00 H new ATOM 92 N TRP A 7 -7.986 18.903 26.066 1.00 0.00 N ATOM 93 CA TRP A 7 -7.317 17.931 26.899 1.00 0.00 C ATOM 94 C TRP A 7 -6.366 17.029 26.111 1.00 0.00 C ATOM 95 O TRP A 7 -6.325 17.028 24.882 1.00 0.00 O ATOM 96 CB TRP A 7 -8.426 17.108 27.656 1.00 0.00 C ATOM 97 CG TRP A 7 -9.416 16.206 26.888 1.00 0.00 C ATOM 98 CD1 TRP A 7 -9.480 15.838 25.569 1.00 0.00 C ATOM 99 CD2 TRP A 7 -10.477 15.486 27.550 1.00 0.00 C ATOM 100 NE1 TRP A 7 -10.469 14.895 25.381 1.00 0.00 N ATOM 101 CE2 TRP A 7 -11.106 14.693 26.588 1.00 0.00 C ATOM 102 CE3 TRP A 7 -10.881 15.470 28.858 1.00 0.00 C ATOM 103 CZ2 TRP A 7 -12.146 13.873 26.920 1.00 0.00 C ATOM 104 CZ3 TRP A 7 -11.928 14.635 29.194 1.00 0.00 C ATOM 105 CH2 TRP A 7 -12.554 13.854 28.239 1.00 0.00 C ATOM 0 H TRP A 7 -8.740 18.459 25.543 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.677 18.446 27.616 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.914 16.474 28.380 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.021 17.823 28.224 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -8.846 16.231 24.788 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.691 14.428 24.502 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -10.398 16.088 29.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -12.633 13.260 26.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -12.264 14.591 30.219 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -13.377 13.218 28.530 1.00 0.00 H new ATOM 116 N THR A 8 -5.588 16.158 26.814 1.00 0.00 N ATOM 117 CA THR A 8 -4.639 15.193 26.244 1.00 0.00 C ATOM 118 C THR A 8 -5.299 13.973 25.614 1.00 0.00 C ATOM 119 O THR A 8 -4.643 13.226 24.905 1.00 0.00 O ATOM 120 CB THR A 8 -3.500 14.777 27.194 1.00 0.00 C ATOM 121 OG1 THR A 8 -2.432 14.130 26.503 1.00 0.00 O ATOM 122 CG2 THR A 8 -3.979 13.856 28.335 1.00 0.00 C ATOM 0 H THR A 8 -5.616 16.118 27.833 1.00 0.00 H new ATOM 0 HA THR A 8 -4.174 15.758 25.436 1.00 0.00 H new ATOM 0 HB THR A 8 -3.139 15.710 27.626 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.793 13.616 25.750 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.134 13.596 28.972 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.734 14.373 28.927 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.409 12.947 27.913 1.00 0.00 H new ATOM 130 N LYS A 9 -6.615 13.715 25.854 1.00 0.00 N ATOM 131 CA LYS A 9 -7.420 12.611 25.317 1.00 0.00 C ATOM 132 C LYS A 9 -7.605 12.607 23.809 1.00 0.00 C ATOM 133 O LYS A 9 -7.758 11.556 23.195 1.00 0.00 O ATOM 134 CB LYS A 9 -8.591 12.147 26.206 1.00 0.00 C ATOM 135 CG LYS A 9 -8.148 11.845 27.648 1.00 0.00 C ATOM 136 CD LYS A 9 -9.339 11.617 28.586 1.00 0.00 C ATOM 137 CE LYS A 9 -8.916 11.413 30.046 1.00 0.00 C ATOM 138 NZ LYS A 9 -10.099 11.242 30.921 1.00 0.00 N ATOM 0 H LYS A 9 -7.164 14.317 26.467 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.773 11.739 25.414 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.361 12.918 26.219 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.041 11.254 25.772 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.510 10.961 27.652 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.547 12.674 28.022 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.013 12.471 28.524 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.899 10.744 28.249 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.272 10.537 30.123 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.331 12.269 30.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.787 11.106 31.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.699 12.089 30.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.642 10.411 30.612 1.00 0.00 H new ATOM 152 N GLU A 10 -7.513 13.814 23.170 1.00 0.00 N ATOM 153 CA GLU A 10 -7.394 14.016 21.705 1.00 0.00 C ATOM 154 C GLU A 10 -6.207 13.278 21.010 1.00 0.00 C ATOM 155 O GLU A 10 -6.226 13.036 19.808 1.00 0.00 O ATOM 156 CB GLU A 10 -7.298 15.523 21.344 1.00 0.00 C ATOM 157 CG GLU A 10 -8.595 16.299 21.619 1.00 0.00 C ATOM 158 CD GLU A 10 -8.414 17.749 21.169 1.00 0.00 C ATOM 159 OE1 GLU A 10 -7.512 18.433 21.724 1.00 0.00 O ATOM 160 OE2 GLU A 10 -9.178 18.193 20.271 1.00 0.00 O ATOM 0 H GLU A 10 -7.521 14.695 23.684 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.311 13.569 21.322 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.485 15.974 21.913 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.041 15.621 20.289 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.428 15.841 21.086 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.838 16.262 22.681 1.00 0.00 H new ATOM 167 N GLU A 11 -5.192 12.804 21.797 1.00 0.00 N ATOM 168 CA GLU A 11 -4.097 11.882 21.481 1.00 0.00 C ATOM 169 C GLU A 11 -4.601 10.463 21.259 1.00 0.00 C ATOM 170 O GLU A 11 -3.966 9.738 20.495 1.00 0.00 O ATOM 171 CB GLU A 11 -3.068 11.842 22.642 1.00 0.00 C ATOM 172 CG GLU A 11 -2.264 13.152 22.779 1.00 0.00 C ATOM 173 CD GLU A 11 -1.412 13.367 21.525 1.00 0.00 C ATOM 174 OE1 GLU A 11 -0.524 12.513 21.257 1.00 0.00 O ATOM 175 OE2 GLU A 11 -1.637 14.388 20.821 1.00 0.00 O ATOM 0 H GLU A 11 -5.132 13.103 22.770 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.633 12.250 20.566 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.591 11.644 23.577 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.378 11.014 22.481 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.942 13.994 22.918 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.625 13.108 23.661 1.00 0.00 H new ATOM 182 N GLU A 12 -5.751 10.023 21.880 1.00 0.00 N ATOM 183 CA GLU A 12 -6.387 8.696 21.709 1.00 0.00 C ATOM 184 C GLU A 12 -6.712 8.361 20.246 1.00 0.00 C ATOM 185 O GLU A 12 -6.396 7.287 19.751 1.00 0.00 O ATOM 186 CB GLU A 12 -7.645 8.554 22.609 1.00 0.00 C ATOM 187 CG GLU A 12 -8.192 7.121 22.746 1.00 0.00 C ATOM 188 CD GLU A 12 -9.377 7.118 23.712 1.00 0.00 C ATOM 189 OE1 GLU A 12 -9.169 7.459 24.907 1.00 0.00 O ATOM 190 OE2 GLU A 12 -10.505 6.773 23.268 1.00 0.00 O ATOM 0 H GLU A 12 -6.265 10.615 22.532 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.647 7.963 22.031 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.406 8.932 23.603 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.434 9.190 22.208 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.503 6.744 21.772 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.410 6.455 23.111 1.00 0.00 H new ATOM 197 N GLU A 13 -7.242 9.380 19.510 1.00 0.00 N ATOM 198 CA GLU A 13 -7.452 9.441 18.062 1.00 0.00 C ATOM 199 C GLU A 13 -6.195 9.348 17.162 1.00 0.00 C ATOM 200 O GLU A 13 -6.269 8.912 16.016 1.00 0.00 O ATOM 201 CB GLU A 13 -8.208 10.754 17.706 1.00 0.00 C ATOM 202 CG GLU A 13 -9.489 11.004 18.530 1.00 0.00 C ATOM 203 CD GLU A 13 -10.482 9.860 18.324 1.00 0.00 C ATOM 204 OE1 GLU A 13 -10.928 9.662 17.162 1.00 0.00 O ATOM 205 OE2 GLU A 13 -10.809 9.170 19.328 1.00 0.00 O ATOM 0 H GLU A 13 -7.552 10.239 19.964 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.023 8.538 17.844 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.531 11.597 17.847 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.471 10.730 16.649 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.239 11.092 19.587 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.944 11.948 18.231 1.00 0.00 H new ATOM 212 N THR A 14 -5.009 9.792 17.674 1.00 0.00 N ATOM 213 CA THR A 14 -3.686 9.763 17.061 1.00 0.00 C ATOM 214 C THR A 14 -3.057 8.385 17.179 1.00 0.00 C ATOM 215 O THR A 14 -2.545 7.828 16.227 1.00 0.00 O ATOM 216 CB THR A 14 -2.713 10.847 17.597 1.00 0.00 C ATOM 217 OG1 THR A 14 -2.135 10.640 18.888 1.00 0.00 O ATOM 218 CG2 THR A 14 -3.396 12.228 17.593 1.00 0.00 C ATOM 0 H THR A 14 -4.973 10.210 18.604 1.00 0.00 H new ATOM 0 HA THR A 14 -3.853 9.998 16.010 1.00 0.00 H new ATOM 0 HB THR A 14 -1.877 10.780 16.900 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.848 10.535 19.552 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.702 12.978 17.971 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.690 12.486 16.575 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.280 12.198 18.229 1.00 0.00 H new ATOM 226 N ARG A 15 -3.036 7.901 18.453 1.00 0.00 N ATOM 227 CA ARG A 15 -2.395 6.714 18.998 1.00 0.00 C ATOM 228 C ARG A 15 -0.916 6.949 19.351 1.00 0.00 C ATOM 229 O ARG A 15 -0.188 6.023 19.680 1.00 0.00 O ATOM 230 CB ARG A 15 -2.640 5.416 18.174 1.00 0.00 C ATOM 231 CG ARG A 15 -2.492 4.062 18.915 1.00 0.00 C ATOM 232 CD ARG A 15 -3.634 3.698 19.884 1.00 0.00 C ATOM 233 NE ARG A 15 -3.498 4.483 21.163 1.00 0.00 N ATOM 234 CZ ARG A 15 -4.556 4.828 21.964 1.00 0.00 C ATOM 235 NH1 ARG A 15 -5.826 4.436 21.661 1.00 0.00 N ATOM 236 NH2 ARG A 15 -4.331 5.585 23.077 1.00 0.00 N ATOM 0 H ARG A 15 -3.530 8.405 19.189 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.904 6.525 19.943 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.647 5.465 17.760 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.948 5.416 17.331 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.406 3.270 18.171 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.557 4.076 19.475 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.597 3.909 19.419 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.612 2.630 20.100 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.564 4.775 21.450 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.002 3.876 20.826 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.601 4.702 22.269 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.384 5.888 23.305 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.110 5.848 23.681 1.00 0.00 H new ATOM 250 N GLN A 16 -0.443 8.228 19.298 1.00 0.00 N ATOM 251 CA GLN A 16 0.906 8.736 19.552 1.00 0.00 C ATOM 252 C GLN A 16 1.725 8.672 18.264 1.00 0.00 C ATOM 253 O GLN A 16 2.385 7.687 17.948 1.00 0.00 O ATOM 254 CB GLN A 16 1.648 8.153 20.785 1.00 0.00 C ATOM 255 CG GLN A 16 2.848 9.016 21.234 1.00 0.00 C ATOM 256 CD GLN A 16 3.699 8.295 22.277 1.00 0.00 C ATOM 257 OE1 GLN A 16 4.813 7.877 21.957 1.00 0.00 O ATOM 258 NE2 GLN A 16 3.192 8.163 23.523 1.00 0.00 N ATOM 0 H GLN A 16 -1.073 8.991 19.050 1.00 0.00 H new ATOM 0 HA GLN A 16 0.780 9.776 19.855 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.946 8.059 21.613 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.999 7.148 20.549 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.463 9.263 20.369 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.486 9.958 21.647 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.263 8.527 23.737 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.738 7.700 24.249 1.00 0.00 H new ATOM 267 N MET A 17 1.593 9.742 17.451 1.00 0.00 N ATOM 268 CA MET A 17 2.093 9.906 16.099 1.00 0.00 C ATOM 269 C MET A 17 3.572 10.083 15.763 1.00 0.00 C ATOM 270 O MET A 17 4.022 9.674 14.698 1.00 0.00 O ATOM 271 CB MET A 17 1.266 11.041 15.433 1.00 0.00 C ATOM 272 CG MET A 17 1.306 12.461 16.001 1.00 0.00 C ATOM 273 SD MET A 17 0.496 13.664 14.892 1.00 0.00 S ATOM 274 CE MET A 17 -1.253 13.240 15.168 1.00 0.00 C ATOM 0 H MET A 17 1.090 10.573 17.764 1.00 0.00 H new ATOM 0 HA MET A 17 1.966 8.896 15.709 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.581 11.101 14.391 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.223 10.723 15.433 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.814 12.476 16.974 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.342 12.758 16.163 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.862 13.672 14.374 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.369 12.156 15.166 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.576 13.638 16.130 1.00 0.00 H new ATOM 284 N TYR A 18 4.310 10.797 16.630 1.00 0.00 N ATOM 285 CA TYR A 18 5.627 11.393 16.439 1.00 0.00 C ATOM 286 C TYR A 18 6.880 10.526 16.312 1.00 0.00 C ATOM 287 O TYR A 18 7.882 10.982 15.766 1.00 0.00 O ATOM 288 CB TYR A 18 5.855 12.409 17.621 1.00 0.00 C ATOM 289 CG TYR A 18 4.609 13.258 17.911 1.00 0.00 C ATOM 290 CD1 TYR A 18 4.399 14.456 17.239 1.00 0.00 C ATOM 291 CD2 TYR A 18 3.619 12.836 18.807 1.00 0.00 C ATOM 292 CE1 TYR A 18 3.246 15.194 17.441 1.00 0.00 C ATOM 293 CE2 TYR A 18 2.444 13.552 18.968 1.00 0.00 C ATOM 294 CZ TYR A 18 2.265 14.735 18.293 1.00 0.00 C ATOM 295 OH TYR A 18 1.045 15.423 18.448 1.00 0.00 O ATOM 0 H TYR A 18 3.958 10.984 17.569 1.00 0.00 H new ATOM 0 HA TYR A 18 5.550 11.809 15.435 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.134 11.860 18.520 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.690 13.066 17.376 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.147 14.817 16.549 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.774 11.936 19.383 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.114 16.135 16.928 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.670 13.181 19.623 1.00 0.00 H new ATOM 0 HH TYR A 18 0.480 14.946 19.090 1.00 0.00 H new ATOM 305 N ASP A 19 6.887 9.283 16.856 1.00 0.00 N ATOM 306 CA ASP A 19 8.095 8.450 16.932 1.00 0.00 C ATOM 307 C ASP A 19 8.366 7.486 15.774 1.00 0.00 C ATOM 308 O ASP A 19 8.961 7.838 14.756 1.00 0.00 O ATOM 309 CB ASP A 19 8.153 7.682 18.287 1.00 0.00 C ATOM 310 CG ASP A 19 8.152 8.685 19.445 1.00 0.00 C ATOM 311 OD1 ASP A 19 9.127 9.479 19.542 1.00 0.00 O ATOM 312 OD2 ASP A 19 7.179 8.672 20.243 1.00 0.00 O ATOM 0 H ASP A 19 6.057 8.840 17.250 1.00 0.00 H new ATOM 0 HA ASP A 19 8.897 9.183 16.851 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.299 7.011 18.373 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.050 7.064 18.328 1.00 0.00 H new ATOM 317 N MET A 20 7.974 6.190 15.939 1.00 0.00 N ATOM 318 CA MET A 20 8.284 5.013 15.118 1.00 0.00 C ATOM 319 C MET A 20 7.964 5.001 13.626 1.00 0.00 C ATOM 320 O MET A 20 8.605 4.323 12.831 1.00 0.00 O ATOM 321 CB MET A 20 8.242 3.681 15.921 1.00 0.00 C ATOM 322 CG MET A 20 7.076 2.697 15.731 1.00 0.00 C ATOM 323 SD MET A 20 6.903 1.843 14.132 1.00 0.00 S ATOM 324 CE MET A 20 8.586 1.261 13.755 1.00 0.00 C ATOM 0 H MET A 20 7.379 5.934 16.727 1.00 0.00 H new ATOM 0 HA MET A 20 9.339 5.160 14.888 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.161 3.140 15.696 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.276 3.941 16.979 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.158 1.935 16.506 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.150 3.242 15.916 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.989 1.831 12.918 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.223 1.399 14.629 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.555 0.204 13.493 1.00 0.00 H new ATOM 334 N VAL A 21 6.972 5.814 13.186 1.00 0.00 N ATOM 335 CA VAL A 21 6.610 6.018 11.753 1.00 0.00 C ATOM 336 C VAL A 21 7.649 6.765 10.932 1.00 0.00 C ATOM 337 O VAL A 21 7.760 6.543 9.729 1.00 0.00 O ATOM 338 CB VAL A 21 5.204 6.571 11.473 1.00 0.00 C ATOM 339 CG1 VAL A 21 4.189 5.912 12.428 1.00 0.00 C ATOM 340 CG2 VAL A 21 5.120 8.123 11.565 1.00 0.00 C ATOM 0 H VAL A 21 6.389 6.357 13.823 1.00 0.00 H new ATOM 0 HA VAL A 21 6.594 4.984 11.408 1.00 0.00 H new ATOM 0 HB VAL A 21 4.961 6.320 10.441 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.192 6.306 12.228 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.191 4.833 12.273 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.465 6.131 13.460 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.100 8.445 11.356 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.404 8.444 12.567 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.797 8.568 10.836 1.00 0.00 H new ATOM 350 N VAL A 22 8.415 7.715 11.560 1.00 0.00 N ATOM 351 CA VAL A 22 9.430 8.612 10.977 1.00 0.00 C ATOM 352 C VAL A 22 10.515 7.900 10.148 1.00 0.00 C ATOM 353 O VAL A 22 10.906 8.391 9.096 1.00 0.00 O ATOM 354 CB VAL A 22 10.008 9.554 12.044 1.00 0.00 C ATOM 355 CG1 VAL A 22 11.142 10.470 11.521 1.00 0.00 C ATOM 356 CG2 VAL A 22 8.855 10.424 12.600 1.00 0.00 C ATOM 0 H VAL A 22 8.319 7.873 12.563 1.00 0.00 H new ATOM 0 HA VAL A 22 8.906 9.222 10.241 1.00 0.00 H new ATOM 0 HB VAL A 22 10.456 8.932 12.819 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.499 11.106 12.331 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.964 9.857 11.152 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.762 11.093 10.711 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.244 11.101 13.360 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.413 11.004 11.790 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.094 9.781 13.042 1.00 0.00 H new ATOM 366 N LYS A 23 10.955 6.676 10.551 1.00 0.00 N ATOM 367 CA LYS A 23 11.780 5.750 9.758 1.00 0.00 C ATOM 368 C LYS A 23 11.046 5.017 8.612 1.00 0.00 C ATOM 369 O LYS A 23 11.645 4.658 7.603 1.00 0.00 O ATOM 370 CB LYS A 23 12.567 4.741 10.641 1.00 0.00 C ATOM 371 CG LYS A 23 11.715 3.914 11.621 1.00 0.00 C ATOM 372 CD LYS A 23 11.976 4.256 13.100 1.00 0.00 C ATOM 373 CE LYS A 23 11.618 5.700 13.479 1.00 0.00 C ATOM 374 NZ LYS A 23 11.817 5.946 14.925 1.00 0.00 N ATOM 0 H LYS A 23 10.731 6.303 11.473 1.00 0.00 H new ATOM 0 HA LYS A 23 12.491 6.414 9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.106 4.055 9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.315 5.291 11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.660 4.076 11.399 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.916 2.855 11.460 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.402 3.574 13.727 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.029 4.083 13.322 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.233 6.392 12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.580 5.900 13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.992 6.450 15.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.929 5.038 15.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.671 6.524 15.065 1.00 0.00 H new ATOM 388 N ILE A 24 9.713 4.756 8.752 1.00 0.00 N ATOM 389 CA ILE A 24 8.790 4.156 7.767 1.00 0.00 C ATOM 390 C ILE A 24 8.346 5.123 6.676 1.00 0.00 C ATOM 391 O ILE A 24 8.282 4.758 5.505 1.00 0.00 O ATOM 392 CB ILE A 24 7.640 3.367 8.411 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.153 1.926 8.700 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.317 3.354 7.579 1.00 0.00 C ATOM 395 CD1 ILE A 24 7.293 1.219 9.749 1.00 0.00 C ATOM 0 H ILE A 24 9.230 4.979 9.622 1.00 0.00 H new ATOM 0 HA ILE A 24 9.381 3.406 7.240 1.00 0.00 H new ATOM 0 HB ILE A 24 7.361 3.874 9.335 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.150 1.347 7.777 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.186 1.970 9.046 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.560 2.775 8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.963 4.376 7.443 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.504 2.902 6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.683 0.216 9.923 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.317 1.785 10.680 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.265 1.152 9.392 1.00 0.00 H new ATOM 407 N ILE A 25 8.057 6.426 6.982 1.00 0.00 N ATOM 408 CA ILE A 25 7.672 7.503 6.030 1.00 0.00 C ATOM 409 C ILE A 25 8.664 7.697 4.860 1.00 0.00 C ATOM 410 O ILE A 25 8.279 8.000 3.732 1.00 0.00 O ATOM 411 CB ILE A 25 7.144 8.805 6.671 1.00 0.00 C ATOM 412 CG1 ILE A 25 8.216 9.522 7.525 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.873 8.454 7.494 1.00 0.00 C ATOM 414 CD1 ILE A 25 7.717 10.729 8.340 1.00 0.00 C ATOM 0 H ILE A 25 8.089 6.763 7.944 1.00 0.00 H new ATOM 0 HA ILE A 25 6.775 7.110 5.551 1.00 0.00 H new ATOM 0 HB ILE A 25 6.888 9.517 5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.652 8.797 8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.016 9.857 6.865 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.479 9.358 7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.118 8.027 6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.129 7.731 8.268 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.547 11.157 8.901 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.310 11.481 7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.940 10.404 9.032 1.00 0.00 H new ATOM 426 N ASP A 26 9.974 7.393 5.125 1.00 0.00 N ATOM 427 CA ASP A 26 11.083 7.256 4.179 1.00 0.00 C ATOM 428 C ASP A 26 10.958 6.075 3.191 1.00 0.00 C ATOM 429 O ASP A 26 11.328 6.240 2.033 1.00 0.00 O ATOM 430 CB ASP A 26 12.463 7.141 4.890 1.00 0.00 C ATOM 431 CG ASP A 26 12.699 8.349 5.801 1.00 0.00 C ATOM 432 OD1 ASP A 26 12.636 9.501 5.291 1.00 0.00 O ATOM 433 OD2 ASP A 26 12.956 8.133 7.015 1.00 0.00 O ATOM 0 H ASP A 26 10.284 7.229 6.083 1.00 0.00 H new ATOM 0 HA ASP A 26 11.023 8.180 3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.501 6.223 5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.258 7.078 4.147 1.00 0.00 H new ATOM 438 N VAL A 27 10.391 4.868 3.573 1.00 0.00 N ATOM 439 CA VAL A 27 10.133 3.698 2.695 1.00 0.00 C ATOM 440 C VAL A 27 9.091 4.035 1.615 1.00 0.00 C ATOM 441 O VAL A 27 9.309 3.822 0.421 1.00 0.00 O ATOM 442 CB VAL A 27 9.824 2.292 3.325 1.00 0.00 C ATOM 443 CG1 VAL A 27 10.792 1.812 4.433 1.00 0.00 C ATOM 444 CG2 VAL A 27 8.388 2.033 3.845 1.00 0.00 C ATOM 0 H VAL A 27 10.099 4.698 4.535 1.00 0.00 H new ATOM 0 HA VAL A 27 11.129 3.539 2.283 1.00 0.00 H new ATOM 0 HB VAL A 27 9.971 1.709 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.478 0.831 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.802 1.745 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.778 2.521 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.325 1.023 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.148 2.754 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.679 2.139 3.024 1.00 0.00 H new ATOM 454 N LEU A 28 7.942 4.671 2.012 1.00 0.00 N ATOM 455 CA LEU A 28 6.876 5.144 1.115 1.00 0.00 C ATOM 456 C LEU A 28 7.305 6.292 0.189 1.00 0.00 C ATOM 457 O LEU A 28 7.205 6.110 -1.019 1.00 0.00 O ATOM 458 CB LEU A 28 5.555 5.543 1.869 1.00 0.00 C ATOM 459 CG LEU A 28 4.527 4.396 2.120 1.00 0.00 C ATOM 460 CD1 LEU A 28 5.153 3.094 2.647 1.00 0.00 C ATOM 461 CD2 LEU A 28 3.399 4.820 3.085 1.00 0.00 C ATOM 0 H LEU A 28 7.743 4.865 2.993 1.00 0.00 H new ATOM 0 HA LEU A 28 6.666 4.274 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.828 5.974 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.059 6.328 1.298 1.00 0.00 H new ATOM 0 HG LEU A 28 4.116 4.196 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.372 2.348 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.879 2.721 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.653 3.289 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.710 3.988 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.829 5.103 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.860 5.669 2.664 1.00 0.00 H new ATOM 473 N ARG A 29 7.891 7.434 0.653 1.00 0.00 N ATOM 474 CA ARG A 29 8.396 8.545 -0.218 1.00 0.00 C ATOM 475 C ARG A 29 9.445 8.189 -1.307 1.00 0.00 C ATOM 476 O ARG A 29 9.562 8.826 -2.348 1.00 0.00 O ATOM 477 CB ARG A 29 8.873 9.719 0.676 1.00 0.00 C ATOM 478 CG ARG A 29 9.068 11.068 -0.041 1.00 0.00 C ATOM 479 CD ARG A 29 9.329 12.223 0.938 1.00 0.00 C ATOM 480 NE ARG A 29 9.474 13.515 0.175 1.00 0.00 N ATOM 481 CZ ARG A 29 10.645 13.946 -0.391 1.00 0.00 C ATOM 482 NH1 ARG A 29 11.788 13.204 -0.307 1.00 0.00 N ATOM 483 NH2 ARG A 29 10.668 15.141 -1.052 1.00 0.00 N ATOM 0 H ARG A 29 8.028 7.613 1.648 1.00 0.00 H new ATOM 0 HA ARG A 29 7.536 8.829 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.149 9.857 1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.817 9.436 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.904 10.989 -0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.181 11.292 -0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.508 12.301 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.233 12.027 1.514 1.00 0.00 H new ATOM 0 HE ARG A 29 8.648 14.105 0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.781 12.310 0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.649 13.544 -0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.819 15.702 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.534 15.472 -1.477 1.00 0.00 H new ATOM 497 N SER A 30 10.238 7.130 -1.027 1.00 0.00 N ATOM 498 CA SER A 30 11.350 6.530 -1.793 1.00 0.00 C ATOM 499 C SER A 30 10.842 5.692 -2.948 1.00 0.00 C ATOM 500 O SER A 30 11.174 5.908 -4.111 1.00 0.00 O ATOM 501 CB SER A 30 12.264 5.688 -0.843 1.00 0.00 C ATOM 502 OG SER A 30 13.532 5.289 -1.373 1.00 0.00 O ATOM 0 H SER A 30 10.096 6.617 -0.157 1.00 0.00 H new ATOM 0 HA SER A 30 11.944 7.338 -2.221 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.439 6.266 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.718 4.791 -0.549 1.00 0.00 H new ATOM 0 HG SER A 30 14.020 4.772 -0.699 1.00 0.00 H new ATOM 508 N HIS A 31 9.907 4.741 -2.659 1.00 0.00 N ATOM 509 CA HIS A 31 9.162 3.952 -3.622 1.00 0.00 C ATOM 510 C HIS A 31 8.206 4.818 -4.468 1.00 0.00 C ATOM 511 O HIS A 31 7.930 4.519 -5.623 1.00 0.00 O ATOM 512 CB HIS A 31 8.349 2.834 -2.933 1.00 0.00 C ATOM 513 CG HIS A 31 9.021 1.980 -1.898 1.00 0.00 C ATOM 514 ND1 HIS A 31 8.241 1.243 -1.039 1.00 0.00 N ATOM 515 CD2 HIS A 31 10.312 1.640 -1.615 1.00 0.00 C ATOM 516 CE1 HIS A 31 9.082 0.507 -0.272 1.00 0.00 C ATOM 517 NE2 HIS A 31 10.349 0.708 -0.586 1.00 0.00 N ATOM 0 H HIS A 31 9.658 4.511 -1.697 1.00 0.00 H new ATOM 0 HA HIS A 31 9.905 3.504 -4.282 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.482 3.299 -2.464 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.973 2.172 -3.713 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.180 2.038 -2.119 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.754 -0.166 0.506 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.172 0.275 -0.166 1.00 0.00 H new ATOM 525 N ASN A 32 7.682 5.920 -3.854 1.00 0.00 N ATOM 526 CA ASN A 32 6.832 6.949 -4.444 1.00 0.00 C ATOM 527 C ASN A 32 7.488 7.963 -5.388 1.00 0.00 C ATOM 528 O ASN A 32 6.881 8.338 -6.379 1.00 0.00 O ATOM 529 CB ASN A 32 5.859 7.587 -3.429 1.00 0.00 C ATOM 530 CG ASN A 32 4.771 6.544 -3.173 1.00 0.00 C ATOM 531 OD1 ASN A 32 3.717 6.633 -3.797 1.00 0.00 O ATOM 532 ND2 ASN A 32 5.058 5.505 -2.355 1.00 0.00 N ATOM 0 H ASN A 32 7.867 6.107 -2.868 1.00 0.00 H new ATOM 0 HA ASN A 32 6.234 6.368 -5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.375 7.847 -2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.431 8.508 -3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.384 4.749 -2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.949 5.478 -1.858 1.00 0.00 H new ATOM 539 N GLU A 33 8.752 8.425 -5.198 1.00 0.00 N ATOM 540 CA GLU A 33 9.474 9.294 -6.156 1.00 0.00 C ATOM 541 C GLU A 33 9.914 8.570 -7.437 1.00 0.00 C ATOM 542 O GLU A 33 9.907 9.092 -8.546 1.00 0.00 O ATOM 543 CB GLU A 33 10.610 10.096 -5.462 1.00 0.00 C ATOM 544 CG GLU A 33 11.832 9.260 -5.061 1.00 0.00 C ATOM 545 CD GLU A 33 12.834 10.120 -4.296 1.00 0.00 C ATOM 546 OE1 GLU A 33 13.357 11.098 -4.895 1.00 0.00 O ATOM 547 OE2 GLU A 33 13.090 9.812 -3.100 1.00 0.00 O ATOM 0 H GLU A 33 9.300 8.201 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 33 8.753 10.031 -6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.935 10.892 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.206 10.575 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.519 8.418 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.304 8.844 -5.951 1.00 0.00 H new ATOM 554 N ALA A 34 10.246 7.274 -7.244 1.00 0.00 N ATOM 555 CA ALA A 34 10.567 6.197 -8.174 1.00 0.00 C ATOM 556 C ALA A 34 9.348 5.682 -8.951 1.00 0.00 C ATOM 557 O ALA A 34 9.455 5.079 -10.016 1.00 0.00 O ATOM 558 CB ALA A 34 11.298 5.075 -7.406 1.00 0.00 C ATOM 0 H ALA A 34 10.299 6.922 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 34 11.229 6.594 -8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.543 4.264 -8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.215 5.471 -6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.653 4.697 -6.613 1.00 0.00 H new ATOM 564 N CYS A 35 8.135 5.864 -8.358 1.00 0.00 N ATOM 565 CA CYS A 35 6.808 5.442 -8.830 1.00 0.00 C ATOM 566 C CYS A 35 6.345 6.010 -10.134 1.00 0.00 C ATOM 567 O CYS A 35 5.887 5.274 -10.999 1.00 0.00 O ATOM 568 CB CYS A 35 5.717 5.593 -7.717 1.00 0.00 C ATOM 569 SG CYS A 35 4.565 7.045 -7.643 1.00 0.00 S ATOM 0 H CYS A 35 8.067 6.351 -7.464 1.00 0.00 H new ATOM 0 HA CYS A 35 6.952 4.385 -9.052 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.092 4.701 -7.769 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.240 5.560 -6.761 1.00 0.00 H new ATOM 0 HG CYS A 35 5.178 8.058 -7.106 1.00 0.00 H new ATOM 575 N GLN A 36 6.552 7.352 -10.316 1.00 0.00 N ATOM 576 CA GLN A 36 6.223 8.177 -11.489 1.00 0.00 C ATOM 577 C GLN A 36 6.951 7.783 -12.768 1.00 0.00 C ATOM 578 O GLN A 36 6.720 8.292 -13.855 1.00 0.00 O ATOM 579 CB GLN A 36 6.325 9.703 -11.200 1.00 0.00 C ATOM 580 CG GLN A 36 7.731 10.285 -10.902 1.00 0.00 C ATOM 581 CD GLN A 36 8.529 10.612 -12.174 1.00 0.00 C ATOM 582 OE1 GLN A 36 8.261 11.593 -12.871 1.00 0.00 O ATOM 583 NE2 GLN A 36 9.518 9.745 -12.509 1.00 0.00 N ATOM 0 H GLN A 36 6.986 7.912 -9.582 1.00 0.00 H new ATOM 0 HA GLN A 36 5.174 7.957 -11.685 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.916 10.236 -12.059 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.681 9.928 -10.350 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.624 11.190 -10.304 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.294 9.571 -10.301 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.716 8.942 -11.912 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.063 9.896 -13.358 1.00 0.00 H new ATOM 592 N GLU A 37 7.964 6.909 -12.586 1.00 0.00 N ATOM 593 CA GLU A 37 8.857 6.425 -13.620 1.00 0.00 C ATOM 594 C GLU A 37 8.460 5.030 -14.054 1.00 0.00 C ATOM 595 O GLU A 37 8.884 4.544 -15.100 1.00 0.00 O ATOM 596 CB GLU A 37 10.292 6.446 -13.006 1.00 0.00 C ATOM 597 CG GLU A 37 11.341 5.397 -13.433 1.00 0.00 C ATOM 598 CD GLU A 37 11.996 5.758 -14.766 1.00 0.00 C ATOM 599 OE1 GLU A 37 12.641 6.838 -14.836 1.00 0.00 O ATOM 600 OE2 GLU A 37 11.872 4.954 -15.729 1.00 0.00 O ATOM 0 H GLU A 37 8.177 6.515 -11.670 1.00 0.00 H new ATOM 0 HA GLU A 37 8.812 7.050 -14.512 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.716 7.428 -13.213 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.181 6.368 -11.924 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.107 5.315 -12.662 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.865 4.420 -13.515 1.00 0.00 H new ATOM 607 N ASN A 38 7.672 4.307 -13.228 1.00 0.00 N ATOM 608 CA ASN A 38 7.429 2.903 -13.417 1.00 0.00 C ATOM 609 C ASN A 38 5.957 2.673 -13.469 1.00 0.00 C ATOM 610 O ASN A 38 5.151 3.586 -13.301 1.00 0.00 O ATOM 611 CB ASN A 38 8.079 2.163 -12.213 1.00 0.00 C ATOM 612 CG ASN A 38 9.445 1.649 -12.637 1.00 0.00 C ATOM 613 OD1 ASN A 38 9.517 0.676 -13.385 1.00 0.00 O ATOM 614 ND2 ASN A 38 10.547 2.304 -12.192 1.00 0.00 N ATOM 0 H ASN A 38 7.197 4.703 -12.417 1.00 0.00 H new ATOM 0 HA ASN A 38 7.857 2.532 -14.348 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.176 2.838 -11.363 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.447 1.335 -11.892 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.475 1.993 -12.477 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.447 3.108 -11.572 1.00 0.00 H new ATOM 621 N LYS A 39 5.585 1.387 -13.701 1.00 0.00 N ATOM 622 CA LYS A 39 4.204 0.935 -13.743 1.00 0.00 C ATOM 623 C LYS A 39 3.713 0.583 -12.340 1.00 0.00 C ATOM 624 O LYS A 39 2.788 1.177 -11.798 1.00 0.00 O ATOM 625 CB LYS A 39 4.012 -0.190 -14.814 1.00 0.00 C ATOM 626 CG LYS A 39 4.797 -1.515 -14.636 1.00 0.00 C ATOM 627 CD LYS A 39 4.000 -2.577 -13.861 1.00 0.00 C ATOM 628 CE LYS A 39 3.337 -3.619 -14.770 1.00 0.00 C ATOM 629 NZ LYS A 39 2.205 -3.045 -15.536 1.00 0.00 N ATOM 0 H LYS A 39 6.259 0.639 -13.864 1.00 0.00 H new ATOM 0 HA LYS A 39 3.560 1.748 -14.078 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.951 -0.435 -14.853 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.278 0.227 -15.785 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.063 -1.910 -15.617 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.730 -1.312 -14.111 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.666 -3.085 -13.164 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.232 -2.083 -13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.077 -4.020 -15.462 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.980 -4.453 -14.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.784 -3.781 -16.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.486 -2.685 -14.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.549 -2.265 -16.132 1.00 0.00 H new ATOM 643 N ASP A 40 4.366 -0.415 -11.730 1.00 0.00 N ATOM 644 CA ASP A 40 4.231 -0.813 -10.356 1.00 0.00 C ATOM 645 C ASP A 40 5.566 -1.407 -9.941 1.00 0.00 C ATOM 646 O ASP A 40 5.732 -2.618 -10.025 1.00 0.00 O ATOM 647 CB ASP A 40 2.945 -1.617 -9.959 1.00 0.00 C ATOM 648 CG ASP A 40 2.514 -2.762 -10.882 1.00 0.00 C ATOM 649 OD1 ASP A 40 3.249 -3.776 -10.984 1.00 0.00 O ATOM 650 OD2 ASP A 40 1.414 -2.639 -11.489 1.00 0.00 O ATOM 0 H ASP A 40 5.042 -0.992 -12.231 1.00 0.00 H new ATOM 0 HA ASP A 40 4.017 0.068 -9.752 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.100 -2.029 -8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.116 -0.912 -9.887 1.00 0.00 H new ATOM 655 N LEU A 41 6.577 -0.597 -9.464 1.00 0.00 N ATOM 656 CA LEU A 41 7.888 -1.059 -8.941 1.00 0.00 C ATOM 657 C LEU A 41 7.844 -1.922 -7.655 1.00 0.00 C ATOM 658 O LEU A 41 8.672 -2.797 -7.422 1.00 0.00 O ATOM 659 CB LEU A 41 8.928 0.074 -8.814 1.00 0.00 C ATOM 660 CG LEU A 41 8.755 0.987 -7.589 1.00 0.00 C ATOM 661 CD1 LEU A 41 9.840 0.728 -6.535 1.00 0.00 C ATOM 662 CD2 LEU A 41 8.767 2.415 -8.088 1.00 0.00 C ATOM 0 H LEU A 41 6.485 0.418 -9.439 1.00 0.00 H new ATOM 0 HA LEU A 41 8.219 -1.741 -9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.923 -0.370 -8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.885 0.688 -9.714 1.00 0.00 H new ATOM 0 HG LEU A 41 7.810 0.780 -7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.686 1.391 -5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.784 -0.308 -6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.822 0.917 -6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.646 3.096 -7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.715 2.618 -8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.948 2.561 -8.793 1.00 0.00 H new ATOM 674 N GLN A 42 6.809 -1.697 -6.821 1.00 0.00 N ATOM 675 CA GLN A 42 6.330 -2.340 -5.616 1.00 0.00 C ATOM 676 C GLN A 42 5.127 -3.275 -5.907 1.00 0.00 C ATOM 677 O GLN A 42 4.172 -3.187 -5.126 1.00 0.00 O ATOM 678 CB GLN A 42 6.354 -1.428 -4.352 1.00 0.00 C ATOM 679 CG GLN A 42 5.116 -0.555 -4.105 1.00 0.00 C ATOM 680 CD GLN A 42 5.441 0.792 -3.455 1.00 0.00 C ATOM 681 OE1 GLN A 42 5.656 1.817 -4.325 1.00 0.00 O flip ATOM 682 NE2 GLN A 42 5.490 0.980 -2.236 1.00 0.00 N flip ATOM 0 H GLN A 42 6.192 -0.913 -7.036 1.00 0.00 H new ATOM 0 HA GLN A 42 7.061 -3.066 -5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.502 -2.062 -3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.223 -0.773 -4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.610 -0.379 -5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.419 -1.099 -3.468 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.327 0.205 -1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.693 1.911 -1.871 1.00 0.00 H new ATOM 691 N PRO A 43 5.013 -4.088 -7.052 1.00 0.00 N ATOM 692 CA PRO A 43 3.816 -4.721 -7.678 1.00 0.00 C ATOM 693 C PRO A 43 2.838 -5.397 -6.701 1.00 0.00 C ATOM 694 O PRO A 43 1.637 -5.384 -6.948 1.00 0.00 O ATOM 695 CB PRO A 43 4.415 -5.762 -8.654 1.00 0.00 C ATOM 696 CG PRO A 43 5.778 -6.105 -8.069 1.00 0.00 C ATOM 697 CD PRO A 43 6.218 -4.719 -7.614 1.00 0.00 C ATOM 0 HA PRO A 43 3.200 -3.956 -8.150 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.782 -6.646 -8.726 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.508 -5.353 -9.660 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.712 -6.815 -7.244 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.453 -6.537 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.011 -4.784 -6.869 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.612 -4.139 -8.448 1.00 0.00 H new ATOM 705 N TYR A 44 3.384 -5.947 -5.592 1.00 0.00 N ATOM 706 CA TYR A 44 2.801 -6.541 -4.415 1.00 0.00 C ATOM 707 C TYR A 44 3.938 -6.495 -3.396 1.00 0.00 C ATOM 708 O TYR A 44 5.108 -6.559 -3.776 1.00 0.00 O ATOM 709 CB TYR A 44 2.370 -8.038 -4.597 1.00 0.00 C ATOM 710 CG TYR A 44 1.155 -8.166 -5.508 1.00 0.00 C ATOM 711 CD1 TYR A 44 -0.111 -7.825 -5.042 1.00 0.00 C ATOM 712 CD2 TYR A 44 1.259 -8.577 -6.837 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.224 -7.917 -5.858 1.00 0.00 C ATOM 714 CE2 TYR A 44 0.151 -8.622 -7.661 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.091 -8.290 -7.174 1.00 0.00 C ATOM 716 OH TYR A 44 -2.205 -8.285 -8.037 1.00 0.00 O ATOM 0 H TYR A 44 4.401 -5.976 -5.516 1.00 0.00 H new ATOM 0 HA TYR A 44 1.891 -6.008 -4.139 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.200 -8.608 -5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.143 -8.473 -3.624 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.227 -7.482 -4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.223 -8.865 -7.229 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.203 -7.695 -5.459 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.261 -8.920 -8.693 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.928 -8.576 -8.931 1.00 0.00 H new ATOM 726 N MET A 45 3.593 -6.386 -2.092 1.00 0.00 N ATOM 727 CA MET A 45 4.480 -6.385 -0.934 1.00 0.00 C ATOM 728 C MET A 45 3.692 -7.077 0.218 1.00 0.00 C ATOM 729 O MET A 45 2.528 -6.702 0.341 1.00 0.00 O ATOM 730 CB MET A 45 4.859 -4.931 -0.448 1.00 0.00 C ATOM 731 CG MET A 45 5.071 -3.773 -1.466 1.00 0.00 C ATOM 732 SD MET A 45 4.700 -2.129 -0.758 1.00 0.00 S ATOM 733 CE MET A 45 6.114 -1.977 0.370 1.00 0.00 C ATOM 0 H MET A 45 2.616 -6.290 -1.816 1.00 0.00 H new ATOM 0 HA MET A 45 5.408 -6.890 -1.203 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.077 -4.611 0.240 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.778 -5.018 0.132 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.103 -3.788 -1.816 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.437 -3.940 -2.336 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.107 -0.989 0.831 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.044 -2.740 1.146 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.041 -2.111 -0.188 1.00 0.00 H new ATOM 743 N PRO A 46 4.067 -8.019 1.122 1.00 0.00 N ATOM 744 CA PRO A 46 3.184 -8.476 2.230 1.00 0.00 C ATOM 745 C PRO A 46 3.064 -7.413 3.347 1.00 0.00 C ATOM 746 O PRO A 46 3.805 -6.429 3.317 1.00 0.00 O ATOM 747 CB PRO A 46 4.000 -9.678 2.773 1.00 0.00 C ATOM 748 CG PRO A 46 5.466 -9.255 2.582 1.00 0.00 C ATOM 749 CD PRO A 46 5.392 -8.645 1.172 1.00 0.00 C ATOM 0 HA PRO A 46 2.165 -8.691 1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.775 -9.871 3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.775 -10.593 2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.791 -8.533 3.331 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.153 -10.100 2.634 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.184 -7.914 1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.502 -9.408 0.401 1.00 0.00 H new ATOM 757 N ILE A 47 2.205 -7.596 4.407 1.00 0.00 N ATOM 758 CA ILE A 47 2.047 -6.680 5.577 1.00 0.00 C ATOM 759 C ILE A 47 3.393 -6.468 6.296 1.00 0.00 C ATOM 760 O ILE A 47 3.823 -5.322 6.461 1.00 0.00 O ATOM 761 CB ILE A 47 0.837 -6.906 6.514 1.00 0.00 C ATOM 762 CG1 ILE A 47 -0.411 -7.395 5.734 1.00 0.00 C ATOM 763 CG2 ILE A 47 0.522 -5.588 7.270 1.00 0.00 C ATOM 764 CD1 ILE A 47 -1.718 -7.343 6.545 1.00 0.00 C ATOM 0 H ILE A 47 1.591 -8.408 4.465 1.00 0.00 H new ATOM 0 HA ILE A 47 1.746 -5.730 5.135 1.00 0.00 H new ATOM 0 HB ILE A 47 1.096 -7.688 7.228 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.528 -6.786 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.241 -8.420 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.330 -5.743 7.932 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.389 -5.290 7.859 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.285 -4.804 6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.543 -7.701 5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.624 -7.975 7.428 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.914 -6.316 6.853 1.00 0.00 H new ATOM 776 N PRO A 48 4.176 -7.505 6.693 1.00 0.00 N ATOM 777 CA PRO A 48 5.596 -7.452 6.950 1.00 0.00 C ATOM 778 C PRO A 48 6.536 -6.818 5.922 1.00 0.00 C ATOM 779 O PRO A 48 7.665 -6.646 6.312 1.00 0.00 O ATOM 780 CB PRO A 48 5.999 -8.540 7.960 1.00 0.00 C ATOM 781 CG PRO A 48 4.682 -9.328 8.107 1.00 0.00 C ATOM 782 CD PRO A 48 3.776 -8.888 6.922 1.00 0.00 C ATOM 0 HA PRO A 48 5.890 -6.546 7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.811 -9.165 7.588 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.331 -8.117 8.908 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.866 -10.402 8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.204 -9.112 9.063 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.939 -9.506 6.039 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.718 -8.965 7.174 1.00 0.00 H new ATOM 790 N HIS A 49 6.319 -6.484 4.598 1.00 0.00 N ATOM 791 CA HIS A 49 7.356 -5.652 3.884 1.00 0.00 C ATOM 792 C HIS A 49 7.519 -4.284 4.567 1.00 0.00 C ATOM 793 O HIS A 49 8.630 -3.905 4.919 1.00 0.00 O ATOM 794 CB HIS A 49 7.066 -5.269 2.390 1.00 0.00 C ATOM 795 CG HIS A 49 8.173 -4.528 1.573 1.00 0.00 C ATOM 796 ND1 HIS A 49 8.967 -3.494 2.058 1.00 0.00 N ATOM 797 CD2 HIS A 49 8.433 -4.547 0.230 1.00 0.00 C ATOM 798 CE1 HIS A 49 9.622 -2.933 1.022 1.00 0.00 C ATOM 799 NE2 HIS A 49 9.331 -3.542 -0.112 1.00 0.00 N ATOM 0 H HIS A 49 5.505 -6.753 4.044 1.00 0.00 H new ATOM 0 HA HIS A 49 8.223 -6.311 3.923 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.821 -6.187 1.856 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.173 -4.644 2.377 1.00 0.00 H new ATOM 0 HD1 HIS A 49 9.041 -3.208 3.034 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.000 -5.247 -0.469 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.297 -2.094 1.109 1.00 0.00 H new ATOM 807 N VAL A 50 6.382 -3.595 4.851 1.00 0.00 N ATOM 808 CA VAL A 50 6.351 -2.375 5.662 1.00 0.00 C ATOM 809 C VAL A 50 6.498 -2.699 7.171 1.00 0.00 C ATOM 810 O VAL A 50 7.164 -1.934 7.862 1.00 0.00 O ATOM 811 CB VAL A 50 5.213 -1.414 5.306 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.549 0.020 5.757 1.00 0.00 C ATOM 813 CG2 VAL A 50 4.969 -1.391 3.779 1.00 0.00 C ATOM 0 H VAL A 50 5.462 -3.882 4.516 1.00 0.00 H new ATOM 0 HA VAL A 50 7.234 -1.792 5.398 1.00 0.00 H new ATOM 0 HB VAL A 50 4.319 -1.768 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.727 0.686 5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.698 0.036 6.837 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.460 0.354 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.156 -0.701 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.876 -1.064 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.703 -2.391 3.438 1.00 0.00 H new ATOM 823 N ARG A 51 5.976 -3.861 7.720 1.00 0.00 N ATOM 824 CA ARG A 51 6.255 -4.309 9.102 1.00 0.00 C ATOM 825 C ARG A 51 7.695 -4.832 9.347 1.00 0.00 C ATOM 826 O ARG A 51 8.210 -4.667 10.431 1.00 0.00 O ATOM 827 CB ARG A 51 5.224 -5.250 9.822 1.00 0.00 C ATOM 828 CG ARG A 51 3.720 -4.995 9.610 1.00 0.00 C ATOM 829 CD ARG A 51 2.838 -5.404 10.801 1.00 0.00 C ATOM 830 NE ARG A 51 2.824 -6.909 10.899 1.00 0.00 N ATOM 831 CZ ARG A 51 1.716 -7.693 10.708 1.00 0.00 C ATOM 832 NH1 ARG A 51 0.492 -7.147 10.454 1.00 0.00 N ATOM 833 NH2 ARG A 51 1.841 -9.052 10.776 1.00 0.00 N ATOM 0 H ARG A 51 5.360 -4.490 7.205 1.00 0.00 H new ATOM 0 HA ARG A 51 6.128 -3.341 9.588 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.434 -6.273 9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.421 -5.199 10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.568 -3.935 9.406 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.392 -5.540 8.725 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.223 -4.969 11.723 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.825 -5.025 10.669 1.00 0.00 H new ATOM 0 HE ARG A 51 3.702 -7.377 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.386 -6.134 10.403 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.317 -7.752 10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.751 -9.472 10.967 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.024 -9.647 10.636 1.00 0.00 H new ATOM 847 N ASP A 52 8.458 -5.450 8.408 1.00 0.00 N ATOM 848 CA ASP A 52 9.891 -5.773 8.515 1.00 0.00 C ATOM 849 C ASP A 52 10.761 -4.530 8.302 1.00 0.00 C ATOM 850 O ASP A 52 11.821 -4.412 8.894 1.00 0.00 O ATOM 851 CB ASP A 52 10.304 -6.895 7.494 1.00 0.00 C ATOM 852 CG ASP A 52 11.670 -7.579 7.683 1.00 0.00 C ATOM 853 OD1 ASP A 52 12.723 -6.909 7.516 1.00 0.00 O ATOM 854 OD2 ASP A 52 11.663 -8.810 7.952 1.00 0.00 O ATOM 0 H ASP A 52 8.064 -5.748 7.515 1.00 0.00 H new ATOM 0 HA ASP A 52 10.058 -6.145 9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.537 -7.669 7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.284 -6.460 6.495 1.00 0.00 H new ATOM 859 N SER A 53 10.339 -3.533 7.474 1.00 0.00 N ATOM 860 CA SER A 53 11.083 -2.341 7.063 1.00 0.00 C ATOM 861 C SER A 53 11.628 -1.377 8.099 1.00 0.00 C ATOM 862 O SER A 53 12.515 -0.587 7.788 1.00 0.00 O ATOM 863 CB SER A 53 10.294 -1.493 6.062 1.00 0.00 C ATOM 864 OG SER A 53 10.321 -2.083 4.764 1.00 0.00 O ATOM 0 H SER A 53 9.408 -3.557 7.057 1.00 0.00 H new ATOM 0 HA SER A 53 11.962 -2.838 6.653 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.262 -1.392 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.715 -0.489 6.018 1.00 0.00 H new ATOM 0 HG SER A 53 10.049 -3.022 4.826 1.00 0.00 H new ATOM 870 N LEU A 54 11.139 -1.422 9.362 1.00 0.00 N ATOM 871 CA LEU A 54 11.613 -0.666 10.507 1.00 0.00 C ATOM 872 C LEU A 54 13.011 -1.145 10.949 1.00 0.00 C ATOM 873 O LEU A 54 13.748 -0.390 11.577 1.00 0.00 O ATOM 874 CB LEU A 54 10.593 -0.703 11.723 1.00 0.00 C ATOM 875 CG LEU A 54 9.758 -1.989 12.053 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.315 -1.995 11.546 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.435 -3.333 11.892 1.00 0.00 C ATOM 0 H LEU A 54 10.356 -2.029 9.605 1.00 0.00 H new ATOM 0 HA LEU A 54 11.689 0.373 10.186 1.00 0.00 H new ATOM 0 HB2 LEU A 54 11.160 -0.455 12.620 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.880 0.106 11.563 1.00 0.00 H new ATOM 0 HG LEU A 54 9.698 -1.869 13.135 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.833 -2.930 11.830 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.771 -1.159 11.986 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.310 -1.900 10.460 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.736 -4.127 12.156 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.753 -3.459 10.857 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.305 -3.383 12.547 1.00 0.00 H new ATOM 889 N ILE A 55 13.355 -2.423 10.617 1.00 0.00 N ATOM 890 CA ILE A 55 14.645 -3.088 10.944 1.00 0.00 C ATOM 891 C ILE A 55 14.947 -4.248 9.972 1.00 0.00 C ATOM 892 O ILE A 55 14.177 -5.190 9.850 1.00 0.00 O ATOM 893 CB ILE A 55 14.752 -3.606 12.403 1.00 0.00 C ATOM 894 CG1 ILE A 55 14.787 -2.555 13.533 1.00 0.00 C ATOM 895 CG2 ILE A 55 15.963 -4.524 12.686 1.00 0.00 C ATOM 896 CD1 ILE A 55 13.503 -2.610 14.346 1.00 0.00 C ATOM 0 H ILE A 55 12.722 -3.033 10.100 1.00 0.00 H new ATOM 0 HA ILE A 55 15.389 -2.299 10.832 1.00 0.00 H new ATOM 0 HB ILE A 55 13.806 -4.146 12.435 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.644 -2.737 14.182 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.914 -1.559 13.109 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.949 -4.833 13.731 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.909 -5.405 12.047 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.886 -3.982 12.480 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.542 -1.863 15.139 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.652 -2.405 13.696 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.393 -3.601 14.786 1.00 0.00 H new ATOM 908 N GLN A 56 16.124 -4.292 9.306 1.00 0.00 N ATOM 909 CA GLN A 56 16.540 -5.363 8.375 1.00 0.00 C ATOM 910 C GLN A 56 16.931 -6.802 8.874 1.00 0.00 C ATOM 911 O GLN A 56 16.473 -7.733 8.214 1.00 0.00 O ATOM 912 CB GLN A 56 17.618 -4.829 7.377 1.00 0.00 C ATOM 913 CG GLN A 56 17.069 -3.948 6.218 1.00 0.00 C ATOM 914 CD GLN A 56 16.825 -2.465 6.536 1.00 0.00 C ATOM 915 OE1 GLN A 56 17.624 -1.606 6.149 1.00 0.00 O ATOM 916 NE2 GLN A 56 15.685 -2.146 7.207 1.00 0.00 N ATOM 0 H GLN A 56 16.829 -3.562 9.405 1.00 0.00 H new ATOM 0 HA GLN A 56 15.574 -5.585 7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.352 -4.249 7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 56 18.145 -5.680 6.947 1.00 0.00 H new ATOM 0 HG2 GLN A 56 17.769 -4.007 5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 56 16.129 -4.382 5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.049 -2.883 7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.467 -1.170 7.406 1.00 0.00 H new ATOM 925 N PRO A 57 17.766 -7.090 9.903 1.00 0.00 N ATOM 926 CA PRO A 57 18.297 -8.439 10.225 1.00 0.00 C ATOM 927 C PRO A 57 17.391 -9.346 11.097 1.00 0.00 C ATOM 928 O PRO A 57 16.243 -9.607 10.769 1.00 0.00 O ATOM 929 CB PRO A 57 19.580 -8.049 10.992 1.00 0.00 C ATOM 930 CG PRO A 57 19.101 -6.836 11.787 1.00 0.00 C ATOM 931 CD PRO A 57 18.464 -6.049 10.648 1.00 0.00 C ATOM 0 HA PRO A 57 18.415 -9.051 9.331 1.00 0.00 H new ATOM 0 HB2 PRO A 57 19.931 -8.852 11.640 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.401 -7.801 10.319 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.388 -7.098 12.569 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.917 -6.297 12.268 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.780 -5.284 11.015 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.211 -5.542 10.036 1.00 0.00 H new ATOM 939 N HIS A 58 17.930 -9.876 12.234 1.00 0.00 N ATOM 940 CA HIS A 58 17.334 -10.797 13.209 1.00 0.00 C ATOM 941 C HIS A 58 16.327 -10.180 14.189 1.00 0.00 C ATOM 942 O HIS A 58 15.421 -10.840 14.687 1.00 0.00 O ATOM 943 CB HIS A 58 18.437 -11.552 14.005 1.00 0.00 C ATOM 944 CG HIS A 58 19.534 -12.107 13.123 1.00 0.00 C ATOM 945 ND1 HIS A 58 20.771 -11.513 12.960 1.00 0.00 N ATOM 946 CD2 HIS A 58 19.566 -13.233 12.355 1.00 0.00 C ATOM 947 CE1 HIS A 58 21.477 -12.300 12.108 1.00 0.00 C ATOM 948 NE2 HIS A 58 20.791 -13.354 11.719 1.00 0.00 N ATOM 0 H HIS A 58 18.884 -9.637 12.503 1.00 0.00 H new ATOM 0 HA HIS A 58 16.754 -11.485 12.594 1.00 0.00 H new ATOM 0 HB2 HIS A 58 18.876 -10.874 14.737 1.00 0.00 H new ATOM 0 HB3 HIS A 58 17.979 -12.369 14.562 1.00 0.00 H new ATOM 0 HD2 HIS A 58 18.750 -13.933 12.256 1.00 0.00 H new ATOM 0 HE1 HIS A 58 22.486 -12.086 11.786 1.00 0.00 H new ATOM 0 HE2 HIS A 58 21.094 -14.096 11.088 1.00 0.00 H new ATOM 956 N ASP A 59 16.472 -8.864 14.490 1.00 0.00 N ATOM 957 CA ASP A 59 15.683 -8.009 15.357 1.00 0.00 C ATOM 958 C ASP A 59 14.577 -7.325 14.580 1.00 0.00 C ATOM 959 O ASP A 59 13.927 -6.421 15.091 1.00 0.00 O ATOM 960 CB ASP A 59 16.556 -6.930 16.057 1.00 0.00 C ATOM 961 CG ASP A 59 17.617 -7.612 16.924 1.00 0.00 C ATOM 962 OD1 ASP A 59 17.226 -8.309 17.899 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.830 -7.444 16.624 1.00 0.00 O ATOM 0 H ASP A 59 17.238 -8.335 14.073 1.00 0.00 H new ATOM 0 HA ASP A 59 15.248 -8.653 16.121 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.034 -6.295 15.311 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.930 -6.284 16.672 1.00 0.00 H new ATOM 968 N ARG A 60 14.366 -7.711 13.283 1.00 0.00 N ATOM 969 CA ARG A 60 13.460 -7.169 12.266 1.00 0.00 C ATOM 970 C ARG A 60 12.065 -6.886 12.715 1.00 0.00 C ATOM 971 O ARG A 60 11.561 -5.790 12.575 1.00 0.00 O ATOM 972 CB ARG A 60 13.414 -7.993 10.945 1.00 0.00 C ATOM 973 CG ARG A 60 12.753 -9.387 10.891 1.00 0.00 C ATOM 974 CD ARG A 60 13.215 -10.297 12.023 1.00 0.00 C ATOM 975 NE ARG A 60 12.833 -11.723 11.735 1.00 0.00 N ATOM 976 CZ ARG A 60 12.570 -12.648 12.709 1.00 0.00 C ATOM 977 NH1 ARG A 60 12.616 -12.314 14.031 1.00 0.00 N ATOM 978 NH2 ARG A 60 12.255 -13.927 12.348 1.00 0.00 N ATOM 0 H ARG A 60 14.894 -8.497 12.902 1.00 0.00 H new ATOM 0 HA ARG A 60 13.930 -6.206 12.067 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.911 -7.374 10.202 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.444 -8.117 10.612 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.670 -9.274 10.939 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.982 -9.857 9.935 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.296 -10.220 12.143 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.766 -9.976 12.963 1.00 0.00 H new ATOM 0 HE ARG A 60 12.766 -12.017 10.761 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.850 -11.361 14.308 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.417 -13.018 14.742 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.218 -14.184 11.362 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.057 -14.625 13.065 1.00 0.00 H new ATOM 992 N LYS A 61 11.429 -7.879 13.346 1.00 0.00 N ATOM 993 CA LYS A 61 10.147 -7.844 13.986 1.00 0.00 C ATOM 994 C LYS A 61 10.038 -7.054 15.273 1.00 0.00 C ATOM 995 O LYS A 61 8.959 -6.634 15.670 1.00 0.00 O ATOM 996 CB LYS A 61 9.298 -9.105 13.745 1.00 0.00 C ATOM 997 CG LYS A 61 8.153 -9.437 14.737 1.00 0.00 C ATOM 998 CD LYS A 61 8.596 -10.035 16.083 1.00 0.00 C ATOM 999 CE LYS A 61 7.406 -10.404 16.980 1.00 0.00 C ATOM 1000 NZ LYS A 61 7.864 -10.935 18.284 1.00 0.00 N ATOM 0 H LYS A 61 11.853 -8.804 13.418 1.00 0.00 H new ATOM 0 HA LYS A 61 9.542 -7.125 13.434 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.859 -9.022 12.751 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.975 -9.959 13.725 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.589 -8.525 14.932 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.470 -10.137 14.255 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.200 -10.924 15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.232 -9.319 16.604 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.782 -9.525 17.141 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.786 -11.147 16.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.039 -11.176 18.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.440 -11.787 18.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.436 -10.215 18.771 1.00 0.00 H new ATOM 1014 N LYS A 62 11.126 -6.839 16.039 1.00 0.00 N ATOM 1015 CA LYS A 62 11.123 -6.113 17.308 1.00 0.00 C ATOM 1016 C LYS A 62 10.549 -4.677 17.374 1.00 0.00 C ATOM 1017 O LYS A 62 10.131 -4.224 18.435 1.00 0.00 O ATOM 1018 CB LYS A 62 12.530 -6.278 17.957 1.00 0.00 C ATOM 1019 CG LYS A 62 12.644 -5.668 19.361 1.00 0.00 C ATOM 1020 CD LYS A 62 13.430 -4.345 19.470 1.00 0.00 C ATOM 1021 CE LYS A 62 14.913 -4.422 19.066 1.00 0.00 C ATOM 1022 NZ LYS A 62 15.653 -5.416 19.877 1.00 0.00 N ATOM 0 H LYS A 62 12.052 -7.178 15.778 1.00 0.00 H new ATOM 0 HA LYS A 62 10.344 -6.587 17.904 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.771 -7.340 18.012 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.274 -5.815 17.309 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.637 -5.500 19.744 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.116 -6.401 20.015 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.939 -3.598 18.846 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.369 -3.990 20.499 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.989 -4.685 18.011 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.373 -3.441 19.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.655 -5.414 19.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.573 -5.171 20.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.251 -6.362 19.718 1.00 0.00 H new ATOM 1036 N MET A 63 10.406 -3.964 16.238 1.00 0.00 N ATOM 1037 CA MET A 63 9.622 -2.738 16.208 1.00 0.00 C ATOM 1038 C MET A 63 8.396 -2.929 15.321 1.00 0.00 C ATOM 1039 O MET A 63 7.649 -1.973 15.129 1.00 0.00 O ATOM 1040 CB MET A 63 10.399 -1.428 15.899 1.00 0.00 C ATOM 1041 CG MET A 63 11.287 -0.917 17.057 1.00 0.00 C ATOM 1042 SD MET A 63 11.617 0.878 16.970 1.00 0.00 S ATOM 1043 CE MET A 63 12.332 0.984 15.301 1.00 0.00 C ATOM 0 H MET A 63 10.823 -4.223 15.344 1.00 0.00 H new ATOM 0 HA MET A 63 9.304 -2.569 17.237 1.00 0.00 H new ATOM 0 HB2 MET A 63 11.026 -1.591 15.023 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.682 -0.649 15.637 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.803 -1.146 18.006 1.00 0.00 H new ATOM 0 HG3 MET A 63 12.235 -1.455 17.045 1.00 0.00 H new ATOM 0 HE1 MET A 63 12.626 2.013 15.096 1.00 0.00 H new ATOM 0 HE2 MET A 63 13.207 0.338 15.238 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.592 0.665 14.567 1.00 0.00 H new ATOM 1053 N LYS A 64 8.085 -4.169 14.789 1.00 0.00 N ATOM 1054 CA LYS A 64 6.885 -4.490 13.994 1.00 0.00 C ATOM 1055 C LYS A 64 5.649 -4.506 14.882 1.00 0.00 C ATOM 1056 O LYS A 64 4.566 -4.067 14.500 1.00 0.00 O ATOM 1057 CB LYS A 64 7.043 -5.831 13.204 1.00 0.00 C ATOM 1058 CG LYS A 64 5.874 -6.828 13.252 1.00 0.00 C ATOM 1059 CD LYS A 64 5.959 -7.989 12.255 1.00 0.00 C ATOM 1060 CE LYS A 64 5.038 -9.155 12.638 1.00 0.00 C ATOM 1061 NZ LYS A 64 5.124 -10.249 11.645 1.00 0.00 N ATOM 0 H LYS A 64 8.694 -4.977 14.919 1.00 0.00 H new ATOM 0 HA LYS A 64 6.761 -3.705 13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.232 -5.585 12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.932 -6.338 13.578 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.811 -7.240 14.259 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.947 -6.284 13.072 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.693 -7.631 11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.988 -8.344 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.313 -9.531 13.623 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.009 -8.802 12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.204 -10.730 11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.378 -9.856 10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.850 -10.931 11.942 1.00 0.00 H new ATOM 1075 N LYS A 65 5.844 -4.979 16.143 1.00 0.00 N ATOM 1076 CA LYS A 65 4.861 -5.036 17.230 1.00 0.00 C ATOM 1077 C LYS A 65 4.261 -3.654 17.644 1.00 0.00 C ATOM 1078 O LYS A 65 3.053 -3.491 17.810 1.00 0.00 O ATOM 1079 CB LYS A 65 5.517 -5.762 18.433 1.00 0.00 C ATOM 1080 CG LYS A 65 4.561 -6.260 19.531 1.00 0.00 C ATOM 1081 CD LYS A 65 5.304 -6.959 20.687 1.00 0.00 C ATOM 1082 CE LYS A 65 5.957 -8.294 20.291 1.00 0.00 C ATOM 1083 NZ LYS A 65 6.616 -8.929 21.456 1.00 0.00 N ATOM 0 H LYS A 65 6.749 -5.350 16.432 1.00 0.00 H new ATOM 0 HA LYS A 65 3.997 -5.591 16.865 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.077 -6.617 18.053 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.239 -5.085 18.889 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.994 -5.416 19.925 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.841 -6.952 19.095 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.074 -6.289 21.069 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.602 -7.137 21.502 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.201 -8.966 19.885 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.690 -8.125 19.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.049 -9.828 21.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.352 -8.295 21.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.910 -9.111 22.198 1.00 0.00 H new ATOM 1097 N VAL A 66 5.131 -2.590 17.722 1.00 0.00 N ATOM 1098 CA VAL A 66 4.772 -1.164 17.895 1.00 0.00 C ATOM 1099 C VAL A 66 4.251 -0.537 16.599 1.00 0.00 C ATOM 1100 O VAL A 66 3.394 0.344 16.621 1.00 0.00 O ATOM 1101 CB VAL A 66 5.739 -0.262 18.677 1.00 0.00 C ATOM 1102 CG1 VAL A 66 7.167 -0.298 18.096 1.00 0.00 C ATOM 1103 CG2 VAL A 66 5.151 1.176 18.854 1.00 0.00 C ATOM 0 H VAL A 66 6.140 -2.725 17.662 1.00 0.00 H new ATOM 0 HA VAL A 66 3.944 -1.216 18.602 1.00 0.00 H new ATOM 0 HB VAL A 66 5.843 -0.665 19.684 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.815 0.355 18.681 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.550 -1.318 18.134 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.147 0.044 17.061 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.857 1.792 19.411 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.976 1.621 17.874 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.209 1.119 19.400 1.00 0.00 H new ATOM 1113 N TRP A 67 4.713 -0.974 15.396 1.00 0.00 N ATOM 1114 CA TRP A 67 4.202 -0.555 14.077 1.00 0.00 C ATOM 1115 C TRP A 67 2.716 -0.884 13.868 1.00 0.00 C ATOM 1116 O TRP A 67 1.989 -0.073 13.317 1.00 0.00 O ATOM 1117 CB TRP A 67 5.108 -1.021 12.907 1.00 0.00 C ATOM 1118 CG TRP A 67 4.610 -0.788 11.482 1.00 0.00 C ATOM 1119 CD1 TRP A 67 4.237 -1.797 10.665 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.188 0.428 10.829 1.00 0.00 C ATOM 1121 NE1 TRP A 67 3.661 -1.318 9.516 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.611 0.052 9.610 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.228 1.739 11.221 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.063 0.973 8.774 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 3.640 2.664 10.386 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.072 2.289 9.184 1.00 0.00 C ATOM 0 H TRP A 67 5.475 -1.648 15.324 1.00 0.00 H new ATOM 0 HA TRP A 67 4.252 0.534 14.072 1.00 0.00 H new ATOM 0 HB2 TRP A 67 6.071 -0.522 13.011 1.00 0.00 H new ATOM 0 HB3 TRP A 67 5.288 -2.089 13.028 1.00 0.00 H new ATOM 0 HD1 TRP A 67 4.374 -2.845 10.888 1.00 0.00 H new ATOM 0 HE1 TRP A 67 3.329 -1.879 8.731 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.700 2.036 12.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.637 0.685 7.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.623 3.704 10.677 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.626 3.043 8.552 1.00 0.00 H new ATOM 1137 N ASP A 68 2.212 -2.016 14.439 1.00 0.00 N ATOM 1138 CA ASP A 68 0.780 -2.364 14.552 1.00 0.00 C ATOM 1139 C ASP A 68 -0.094 -1.282 15.248 1.00 0.00 C ATOM 1140 O ASP A 68 -1.205 -0.979 14.827 1.00 0.00 O ATOM 1141 CB ASP A 68 0.611 -3.685 15.354 1.00 0.00 C ATOM 1142 CG ASP A 68 1.263 -4.857 14.616 1.00 0.00 C ATOM 1143 OD1 ASP A 68 0.890 -5.086 13.433 1.00 0.00 O ATOM 1144 OD2 ASP A 68 2.115 -5.552 15.226 1.00 0.00 O ATOM 0 H ASP A 68 2.819 -2.729 14.844 1.00 0.00 H new ATOM 0 HA ASP A 68 0.434 -2.458 13.523 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.060 -3.576 16.341 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.449 -3.890 15.507 1.00 0.00 H new ATOM 1149 N ARG A 69 0.475 -0.637 16.306 1.00 0.00 N ATOM 1150 CA ARG A 69 0.027 0.547 17.044 1.00 0.00 C ATOM 1151 C ARG A 69 0.284 1.884 16.302 1.00 0.00 C ATOM 1152 O ARG A 69 -0.610 2.721 16.175 1.00 0.00 O ATOM 1153 CB ARG A 69 0.678 0.457 18.456 1.00 0.00 C ATOM 1154 CG ARG A 69 0.365 1.533 19.509 1.00 0.00 C ATOM 1155 CD ARG A 69 1.253 2.790 19.425 1.00 0.00 C ATOM 1156 NE ARG A 69 1.135 3.530 20.733 1.00 0.00 N ATOM 1157 CZ ARG A 69 2.160 4.222 21.324 1.00 0.00 C ATOM 1158 NH1 ARG A 69 3.399 4.279 20.757 1.00 0.00 N ATOM 1159 NH2 ARG A 69 1.926 4.880 22.499 1.00 0.00 N ATOM 0 H ARG A 69 1.353 -0.984 16.692 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.059 0.551 17.136 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.399 -0.507 18.882 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.759 0.443 18.316 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.678 1.833 19.404 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.472 1.094 20.501 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.290 2.512 19.236 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.937 3.425 18.598 1.00 0.00 H new ATOM 0 HE ARG A 69 0.233 3.515 21.209 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.578 3.800 19.874 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.146 4.800 21.216 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.999 4.852 22.924 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.678 5.399 22.951 1.00 0.00 H new ATOM 1173 N ALA A 70 1.518 2.113 15.742 1.00 0.00 N ATOM 1174 CA ALA A 70 1.974 3.259 14.938 1.00 0.00 C ATOM 1175 C ALA A 70 1.199 3.474 13.615 1.00 0.00 C ATOM 1176 O ALA A 70 0.977 4.602 13.164 1.00 0.00 O ATOM 1177 CB ALA A 70 3.492 3.250 14.747 1.00 0.00 C ATOM 0 H ALA A 70 2.268 1.433 15.863 1.00 0.00 H new ATOM 0 HA ALA A 70 1.726 4.140 15.530 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.789 4.111 14.149 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.981 3.298 15.720 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.789 2.334 14.236 1.00 0.00 H new ATOM 1183 N VAL A 71 0.712 2.329 13.026 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.263 2.162 11.926 1.00 0.00 C ATOM 1185 C VAL A 71 -1.589 2.859 12.210 1.00 0.00 C ATOM 1186 O VAL A 71 -2.207 3.383 11.289 1.00 0.00 O ATOM 1187 CB VAL A 71 -0.539 0.675 11.596 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -1.856 0.357 10.848 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.579 0.194 10.676 1.00 0.00 C ATOM 0 H VAL A 71 1.035 1.419 13.354 1.00 0.00 H new ATOM 0 HA VAL A 71 0.206 2.633 11.062 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.606 0.186 12.568 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.928 -0.717 10.678 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.704 0.687 11.448 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.865 0.877 9.890 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.416 -0.853 10.422 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.583 0.792 9.765 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.538 0.300 11.183 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.035 2.930 13.506 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.242 3.621 13.977 1.00 0.00 C ATOM 1201 C ASP A 72 -3.147 5.158 13.841 1.00 0.00 C ATOM 1202 O ASP A 72 -4.132 5.801 13.500 1.00 0.00 O ATOM 1203 CB ASP A 72 -3.730 3.052 15.344 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.176 3.442 15.682 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.076 3.128 14.857 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.402 4.045 16.763 1.00 0.00 O ATOM 0 H ASP A 72 -1.527 2.482 14.269 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.066 3.392 13.301 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.648 1.965 15.327 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.070 3.409 16.135 1.00 0.00 H new ATOM 1211 N PHE A 73 -1.922 5.767 13.937 1.00 0.00 N ATOM 1212 CA PHE A 73 -1.665 7.120 13.393 1.00 0.00 C ATOM 1213 C PHE A 73 -1.518 7.135 11.839 1.00 0.00 C ATOM 1214 O PHE A 73 -2.276 7.850 11.182 1.00 0.00 O ATOM 1215 CB PHE A 73 -0.356 7.769 13.986 1.00 0.00 C ATOM 1216 CG PHE A 73 0.100 9.055 13.290 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -0.780 10.102 13.059 1.00 0.00 C ATOM 1218 CD2 PHE A 73 1.358 9.106 12.718 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -0.407 11.177 12.277 1.00 0.00 C ATOM 1220 CE2 PHE A 73 1.736 10.182 11.939 1.00 0.00 C ATOM 1221 CZ PHE A 73 0.854 11.222 11.717 1.00 0.00 C ATOM 0 H PHE A 73 -1.112 5.337 14.384 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.542 7.696 13.688 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.521 7.984 15.042 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.451 7.038 13.932 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.768 10.076 13.496 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.053 8.295 12.882 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.103 11.984 12.103 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.723 10.210 11.502 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.149 12.065 11.109 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.543 6.388 11.196 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.264 6.503 9.722 1.00 0.00 C ATOM 1233 C LEU A 74 -1.423 6.195 8.769 1.00 0.00 C ATOM 1234 O LEU A 74 -1.615 6.907 7.786 1.00 0.00 O ATOM 1235 CB LEU A 74 1.017 5.743 9.227 1.00 0.00 C ATOM 1236 CG LEU A 74 1.730 6.498 8.062 1.00 0.00 C ATOM 1237 CD1 LEU A 74 2.645 7.614 8.596 1.00 0.00 C ATOM 1238 CD2 LEU A 74 2.541 5.610 7.100 1.00 0.00 C ATOM 0 H LEU A 74 0.051 5.711 11.676 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.086 7.577 9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.711 5.622 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.740 4.743 8.895 1.00 0.00 H new ATOM 0 HG LEU A 74 0.907 6.913 7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.127 8.121 7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.051 8.332 9.162 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.406 7.181 9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.996 6.231 6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.322 5.091 7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.880 4.879 6.635 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.277 5.178 9.092 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.502 4.848 8.380 1.00 0.00 C ATOM 1252 C ALA A 75 -4.621 5.922 8.367 1.00 0.00 C ATOM 1253 O ALA A 75 -5.562 5.811 7.590 1.00 0.00 O ATOM 1254 CB ALA A 75 -4.010 3.480 8.879 1.00 0.00 C ATOM 0 H ALA A 75 -2.105 4.559 9.884 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.228 4.806 7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.929 3.219 8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.254 2.719 8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.207 3.534 9.950 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.541 7.005 9.208 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.476 8.119 9.248 1.00 0.00 C ATOM 1262 C ALA A 76 -5.153 9.265 8.262 1.00 0.00 C ATOM 1263 O ALA A 76 -6.007 10.104 7.984 1.00 0.00 O ATOM 1264 CB ALA A 76 -5.531 8.660 10.696 1.00 0.00 C ATOM 0 H ALA A 76 -3.788 7.103 9.889 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.444 7.733 8.927 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.228 9.497 10.746 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.865 7.869 11.367 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.539 8.996 10.997 1.00 0.00 H new ATOM 1270 N ASN A 77 -3.911 9.339 7.714 1.00 0.00 N ATOM 1271 CA ASN A 77 -3.492 10.402 6.806 1.00 0.00 C ATOM 1272 C ASN A 77 -2.347 9.920 5.914 1.00 0.00 C ATOM 1273 O ASN A 77 -1.254 9.658 6.413 1.00 0.00 O ATOM 1274 CB ASN A 77 -3.148 11.751 7.547 1.00 0.00 C ATOM 1275 CG ASN A 77 -2.368 11.614 8.870 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -2.781 12.150 9.901 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -1.216 10.897 8.850 1.00 0.00 N ATOM 0 H ASN A 77 -3.180 8.652 7.901 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.344 10.638 6.168 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.568 12.377 6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.080 12.279 7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.667 10.790 9.703 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.899 10.465 7.982 1.00 0.00 H new ATOM 1284 N GLU A 78 -2.601 9.828 4.575 1.00 0.00 N ATOM 1285 CA GLU A 78 -1.698 9.414 3.495 1.00 0.00 C ATOM 1286 C GLU A 78 -1.791 7.922 3.181 1.00 0.00 C ATOM 1287 O GLU A 78 -1.128 7.084 3.788 1.00 0.00 O ATOM 1288 CB GLU A 78 -0.203 9.855 3.591 1.00 0.00 C ATOM 1289 CG GLU A 78 -0.016 11.386 3.603 1.00 0.00 C ATOM 1290 CD GLU A 78 1.450 11.730 3.868 1.00 0.00 C ATOM 1291 OE1 GLU A 78 2.311 11.362 3.025 1.00 0.00 O ATOM 1292 OE2 GLU A 78 1.728 12.368 4.919 1.00 0.00 O ATOM 0 H GLU A 78 -3.523 10.065 4.210 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.094 9.994 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.234 9.436 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.347 9.436 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.330 11.807 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.648 11.832 4.371 1.00 0.00 H new ATOM 1299 N SER A 79 -2.619 7.571 2.162 1.00 0.00 N ATOM 1300 CA SER A 79 -2.871 6.230 1.644 1.00 0.00 C ATOM 1301 C SER A 79 -2.070 5.966 0.365 1.00 0.00 C ATOM 1302 O SER A 79 -2.623 5.603 -0.675 1.00 0.00 O ATOM 1303 CB SER A 79 -4.395 6.065 1.371 1.00 0.00 C ATOM 1304 OG SER A 79 -4.890 7.063 0.469 1.00 0.00 O ATOM 0 H SER A 79 -3.157 8.276 1.657 1.00 0.00 H new ATOM 0 HA SER A 79 -2.549 5.502 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.584 5.075 0.956 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.941 6.125 2.313 1.00 0.00 H new ATOM 0 HG SER A 79 -4.446 6.968 -0.400 1.00 0.00 H new ATOM 1310 N ARG A 80 -0.727 6.155 0.438 1.00 0.00 N ATOM 1311 CA ARG A 80 0.232 6.052 -0.658 1.00 0.00 C ATOM 1312 C ARG A 80 0.699 4.641 -0.995 1.00 0.00 C ATOM 1313 O ARG A 80 1.622 4.487 -1.782 1.00 0.00 O ATOM 1314 CB ARG A 80 1.460 6.969 -0.376 1.00 0.00 C ATOM 1315 CG ARG A 80 1.085 8.458 -0.228 1.00 0.00 C ATOM 1316 CD ARG A 80 2.233 9.328 0.309 1.00 0.00 C ATOM 1317 NE ARG A 80 3.307 9.467 -0.736 1.00 0.00 N ATOM 1318 CZ ARG A 80 4.493 10.111 -0.495 1.00 0.00 C ATOM 1319 NH1 ARG A 80 4.830 10.514 0.765 1.00 0.00 N ATOM 1320 NH2 ARG A 80 5.346 10.360 -1.531 1.00 0.00 N ATOM 0 H ARG A 80 -0.274 6.396 1.319 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.312 6.384 -1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.954 6.633 0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.180 6.861 -1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.770 8.844 -1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.230 8.544 0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.855 10.312 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.648 8.880 1.212 1.00 0.00 H new ATOM 0 HE ARG A 80 3.146 9.066 -1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.196 10.337 1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.716 10.992 0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.099 10.067 -2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.230 10.839 -1.360 1.00 0.00 H new ATOM 1334 N VAL A 81 0.040 3.599 -0.430 1.00 0.00 N ATOM 1335 CA VAL A 81 0.195 2.175 -0.707 1.00 0.00 C ATOM 1336 C VAL A 81 -1.161 1.608 -0.285 1.00 0.00 C ATOM 1337 O VAL A 81 -1.723 2.057 0.713 1.00 0.00 O ATOM 1338 CB VAL A 81 1.477 1.567 -0.136 1.00 0.00 C ATOM 1339 CG1 VAL A 81 1.287 0.127 0.373 1.00 0.00 C ATOM 1340 CG2 VAL A 81 2.553 1.558 -1.256 1.00 0.00 C ATOM 0 H VAL A 81 -0.667 3.761 0.287 1.00 0.00 H new ATOM 0 HA VAL A 81 0.387 1.917 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 81 1.777 2.175 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.232 -0.248 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.536 0.116 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.958 -0.509 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.477 1.128 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.198 0.961 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.740 2.579 -1.589 1.00 0.00 H new ATOM 1350 N ARG A 82 -1.781 0.676 -1.076 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.152 0.208 -0.864 1.00 0.00 C ATOM 1352 C ARG A 82 -3.256 -1.249 -0.485 1.00 0.00 C ATOM 1353 O ARG A 82 -2.385 -2.048 -0.825 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.059 0.532 -2.079 1.00 0.00 C ATOM 1355 CG ARG A 82 -3.818 -0.197 -3.411 1.00 0.00 C ATOM 1356 CD ARG A 82 -4.372 -1.619 -3.612 1.00 0.00 C ATOM 1357 NE ARG A 82 -5.820 -1.672 -3.190 1.00 0.00 N ATOM 1358 CZ ARG A 82 -6.868 -1.991 -4.013 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -6.678 -2.248 -5.339 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -8.127 -2.061 -3.489 1.00 0.00 N ATOM 0 H ARG A 82 -1.324 0.239 -1.877 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.513 0.766 0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.089 0.338 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.980 1.602 -2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.229 0.428 -4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.740 -0.242 -3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.278 -1.910 -4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.788 -2.332 -3.029 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.035 -1.454 -2.217 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.740 -2.205 -5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.474 -2.483 -5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.278 -1.877 -2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.917 -2.297 -4.089 1.00 0.00 H new ATOM 1374 N THR A 83 -4.366 -1.610 0.217 1.00 0.00 N ATOM 1375 CA THR A 83 -4.672 -2.954 0.731 1.00 0.00 C ATOM 1376 C THR A 83 -5.665 -3.669 -0.161 1.00 0.00 C ATOM 1377 O THR A 83 -6.816 -3.256 -0.298 1.00 0.00 O ATOM 1378 CB THR A 83 -5.266 -3.026 2.154 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.579 -2.171 3.053 1.00 0.00 O ATOM 1380 CG2 THR A 83 -5.128 -4.458 2.716 1.00 0.00 C ATOM 0 H THR A 83 -5.096 -0.935 0.444 1.00 0.00 H new ATOM 0 HA THR A 83 -3.687 -3.421 0.751 1.00 0.00 H new ATOM 0 HB THR A 83 -6.310 -2.724 2.071 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.615 -2.224 2.883 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.550 -4.497 3.720 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.662 -5.155 2.070 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.074 -4.734 2.755 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.256 -4.803 -0.761 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.102 -5.618 -1.604 1.00 0.00 C ATOM 1390 C GLU A 84 -6.143 -7.001 -0.996 1.00 0.00 C ATOM 1391 O GLU A 84 -5.165 -7.429 -0.380 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.518 -5.638 -3.048 1.00 0.00 C ATOM 1393 CG GLU A 84 -6.438 -6.296 -4.094 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.822 -6.151 -5.485 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -4.749 -6.768 -5.724 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -6.418 -5.430 -6.329 1.00 0.00 O ATOM 0 H GLU A 84 -4.310 -5.171 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.116 -5.222 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.310 -4.614 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.565 -6.167 -3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.579 -7.350 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.423 -5.829 -4.071 1.00 0.00 H new ATOM 1403 N THR A 85 -7.269 -7.749 -1.188 1.00 0.00 N ATOM 1404 CA THR A 85 -7.399 -9.158 -0.816 1.00 0.00 C ATOM 1405 C THR A 85 -7.049 -9.898 -2.108 1.00 0.00 C ATOM 1406 O THR A 85 -7.795 -9.825 -3.086 1.00 0.00 O ATOM 1407 CB THR A 85 -8.816 -9.518 -0.350 1.00 0.00 C ATOM 1408 OG1 THR A 85 -9.306 -8.554 0.573 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.787 -10.857 0.396 1.00 0.00 C ATOM 0 H THR A 85 -8.114 -7.368 -1.613 1.00 0.00 H new ATOM 0 HA THR A 85 -6.757 -9.417 0.026 1.00 0.00 H new ATOM 0 HB THR A 85 -9.451 -9.560 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.211 -8.802 0.856 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.794 -11.111 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.416 -11.636 -0.270 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.130 -10.777 1.262 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.886 -10.594 -2.180 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.423 -11.103 -3.467 1.00 0.00 C ATOM 1419 C ARG A 86 -4.608 -12.362 -3.284 1.00 0.00 C ATOM 1420 O ARG A 86 -3.910 -12.533 -2.282 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.575 -9.999 -4.182 1.00 0.00 C ATOM 1422 CG ARG A 86 -4.145 -10.278 -5.638 1.00 0.00 C ATOM 1423 CD ARG A 86 -5.329 -10.436 -6.608 1.00 0.00 C ATOM 1424 NE ARG A 86 -4.800 -10.593 -8.010 1.00 0.00 N ATOM 1425 CZ ARG A 86 -4.451 -11.794 -8.569 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -4.603 -12.964 -7.883 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -3.944 -11.818 -9.836 1.00 0.00 N ATOM 0 H ARG A 86 -5.281 -10.803 -1.386 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.286 -11.353 -4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.147 -9.071 -4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.676 -9.827 -3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.509 -9.463 -5.983 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.542 -11.185 -5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.928 -11.304 -6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.983 -9.566 -6.548 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.695 -9.753 -8.578 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.983 -12.955 -6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.337 -13.848 -8.317 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.829 -10.948 -10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.680 -12.706 -10.263 1.00 0.00 H new ATOM 1441 N ARG A 87 -4.675 -13.297 -4.280 1.00 0.00 N ATOM 1442 CA ARG A 87 -3.956 -14.566 -4.314 1.00 0.00 C ATOM 1443 C ARG A 87 -2.499 -14.418 -4.784 1.00 0.00 C ATOM 1444 O ARG A 87 -2.234 -14.012 -5.914 1.00 0.00 O ATOM 1445 CB ARG A 87 -4.682 -15.629 -5.177 1.00 0.00 C ATOM 1446 CG ARG A 87 -4.221 -17.075 -4.886 1.00 0.00 C ATOM 1447 CD ARG A 87 -4.847 -18.125 -5.815 1.00 0.00 C ATOM 1448 NE ARG A 87 -6.336 -18.143 -5.593 1.00 0.00 N ATOM 1449 CZ ARG A 87 -7.173 -19.041 -6.200 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -6.687 -19.989 -7.053 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -8.513 -18.986 -5.944 1.00 0.00 N ATOM 0 H ARG A 87 -5.261 -13.161 -5.104 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.939 -14.911 -3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.756 -15.556 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.514 -15.407 -6.231 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.136 -17.125 -4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.467 -17.324 -3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.623 -17.890 -6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.423 -19.109 -5.613 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.741 -17.453 -4.960 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.687 -20.036 -7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.324 -20.650 -7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.882 -18.281 -5.306 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.145 -19.650 -6.391 1.00 0.00 H new ATOM 1465 N ILE A 88 -1.518 -14.740 -3.906 1.00 0.00 N ATOM 1466 CA ILE A 88 -0.083 -14.598 -4.147 1.00 0.00 C ATOM 1467 C ILE A 88 0.586 -15.840 -3.599 1.00 0.00 C ATOM 1468 O ILE A 88 0.448 -16.166 -2.422 1.00 0.00 O ATOM 1469 CB ILE A 88 0.515 -13.302 -3.563 1.00 0.00 C ATOM 1470 CG1 ILE A 88 -0.028 -12.959 -2.146 1.00 0.00 C ATOM 1471 CG2 ILE A 88 0.231 -12.186 -4.592 1.00 0.00 C ATOM 1472 CD1 ILE A 88 0.260 -11.542 -1.639 1.00 0.00 C ATOM 0 H ILE A 88 -1.724 -15.118 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 88 0.096 -14.506 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 88 1.587 -13.422 -3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.107 -13.111 -2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.394 -13.670 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.635 -11.242 -4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.702 -12.439 -5.542 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.845 -12.088 -4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.165 -11.418 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.337 -11.383 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.187 -10.815 -2.317 1.00 0.00 H new ATOM 1484 N GLY A 89 1.279 -16.628 -4.486 1.00 0.00 N ATOM 1485 CA GLY A 89 1.932 -17.934 -4.149 1.00 0.00 C ATOM 1486 C GLY A 89 0.950 -19.052 -3.858 1.00 0.00 C ATOM 1487 O GLY A 89 1.261 -20.012 -3.164 1.00 0.00 O ATOM 0 H GLY A 89 1.399 -16.368 -5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.574 -18.233 -4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.577 -17.794 -3.281 1.00 0.00 H new ATOM 1491 N GLY A 90 -0.297 -18.895 -4.369 1.00 0.00 N ATOM 1492 CA GLY A 90 -1.448 -19.778 -4.102 1.00 0.00 C ATOM 1493 C GLY A 90 -2.246 -19.446 -2.848 1.00 0.00 C ATOM 1494 O GLY A 90 -3.083 -20.244 -2.439 1.00 0.00 O ATOM 0 H GLY A 90 -0.531 -18.126 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.119 -19.742 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.087 -20.804 -4.022 1.00 0.00 H new ATOM 1498 N ALA A 91 -2.030 -18.275 -2.180 1.00 0.00 N ATOM 1499 CA ALA A 91 -2.707 -17.932 -0.939 1.00 0.00 C ATOM 1500 C ALA A 91 -3.215 -16.486 -0.987 1.00 0.00 C ATOM 1501 O ALA A 91 -2.549 -15.596 -1.511 1.00 0.00 O ATOM 1502 CB ALA A 91 -1.738 -18.155 0.239 1.00 0.00 C ATOM 0 H ALA A 91 -1.379 -17.559 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.577 -18.574 -0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.237 -17.900 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.431 -19.201 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.860 -17.522 0.112 1.00 0.00 H new ATOM 1508 N ASP A 92 -4.440 -16.234 -0.454 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.207 -14.995 -0.416 1.00 0.00 C ATOM 1510 C ASP A 92 -5.000 -14.208 0.890 1.00 0.00 C ATOM 1511 O ASP A 92 -5.442 -14.641 1.951 1.00 0.00 O ATOM 1512 CB ASP A 92 -6.702 -15.415 -0.610 1.00 0.00 C ATOM 1513 CG ASP A 92 -7.679 -14.265 -0.874 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -7.484 -13.534 -1.879 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -8.648 -14.129 -0.080 1.00 0.00 O ATOM 0 H ASP A 92 -4.955 -16.986 0.005 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.876 -14.314 -1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.760 -16.116 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.030 -15.950 0.281 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.313 -13.043 0.853 1.00 0.00 N ATOM 1521 CA PHE A 93 -4.021 -12.228 2.032 1.00 0.00 C ATOM 1522 C PHE A 93 -4.450 -10.799 1.760 1.00 0.00 C ATOM 1523 O PHE A 93 -4.764 -10.437 0.625 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.494 -12.166 2.399 1.00 0.00 C ATOM 1525 CG PHE A 93 -1.813 -13.506 2.380 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -1.728 -14.304 3.506 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -1.171 -13.916 1.229 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -1.004 -15.484 3.479 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -0.444 -15.083 1.192 1.00 0.00 C ATOM 1530 CZ PHE A 93 -0.355 -15.870 2.322 1.00 0.00 C ATOM 0 H PHE A 93 -3.946 -12.647 -0.012 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.558 -12.694 2.858 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.988 -11.501 1.699 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.385 -11.727 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.230 -14.004 4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.241 -13.308 0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.947 -16.103 4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.055 -15.382 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.220 -16.784 2.302 1.00 0.00 H new ATOM 1540 N LEU A 94 -4.329 -9.921 2.807 1.00 0.00 N ATOM 1541 CA LEU A 94 -4.421 -8.472 2.709 1.00 0.00 C ATOM 1542 C LEU A 94 -2.971 -8.061 2.456 1.00 0.00 C ATOM 1543 O LEU A 94 -2.090 -8.242 3.289 1.00 0.00 O ATOM 1544 CB LEU A 94 -5.013 -7.830 3.992 1.00 0.00 C ATOM 1545 CG LEU A 94 -6.542 -7.622 3.869 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -7.285 -8.966 3.837 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -7.094 -6.783 5.041 1.00 0.00 C ATOM 0 H LEU A 94 -4.160 -10.239 3.761 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.099 -8.135 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.799 -8.467 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.528 -6.872 4.177 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.710 -7.089 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.357 -8.787 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.944 -9.550 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.082 -9.516 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.170 -6.656 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.890 -7.294 5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.612 -5.805 5.047 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.696 -7.591 1.232 1.00 0.00 N ATOM 1560 CA VAL A 95 -1.360 -7.352 0.712 1.00 0.00 C ATOM 1561 C VAL A 95 -1.278 -5.858 0.488 1.00 0.00 C ATOM 1562 O VAL A 95 -2.247 -5.237 0.042 1.00 0.00 O ATOM 1563 CB VAL A 95 -1.171 -8.237 -0.542 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -2.276 -8.095 -1.625 1.00 0.00 C ATOM 1565 CG2 VAL A 95 0.197 -8.050 -1.219 1.00 0.00 C ATOM 0 H VAL A 95 -3.429 -7.362 0.560 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.540 -7.629 1.375 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.243 -9.241 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.052 -8.756 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.241 -8.366 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.311 -7.064 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.263 -8.700 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.310 -7.012 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.989 -8.306 -0.515 1.00 0.00 H new ATOM 1575 N TRP A 96 -0.105 -5.230 0.771 1.00 0.00 N ATOM 1576 CA TRP A 96 0.006 -3.771 0.536 1.00 0.00 C ATOM 1577 C TRP A 96 0.786 -3.668 -0.794 1.00 0.00 C ATOM 1578 O TRP A 96 1.827 -4.294 -0.956 1.00 0.00 O ATOM 1579 CB TRP A 96 0.816 -3.176 1.731 1.00 0.00 C ATOM 1580 CG TRP A 96 -0.004 -2.635 2.906 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -1.238 -2.047 2.889 1.00 0.00 C ATOM 1582 CD2 TRP A 96 0.484 -2.488 4.256 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -1.526 -1.493 4.117 1.00 0.00 N ATOM 1584 CE2 TRP A 96 -0.459 -1.733 4.960 1.00 0.00 C ATOM 1585 CE3 TRP A 96 1.622 -2.941 4.864 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 -0.234 -1.350 6.254 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 1.803 -2.625 6.195 1.00 0.00 C ATOM 1588 CH2 TRP A 96 0.931 -1.786 6.857 1.00 0.00 C ATOM 0 H TRP A 96 0.731 -5.682 1.141 1.00 0.00 H new ATOM 0 HA TRP A 96 -0.941 -3.235 0.473 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.486 -3.949 2.109 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.443 -2.369 1.351 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.895 -2.020 2.032 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.380 -0.992 4.361 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.352 -3.524 4.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -0.941 -0.730 6.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 2.644 -3.043 6.729 1.00 0.00 H new ATOM 0 HH2 TRP A 96 1.162 -1.465 7.862 1.00 0.00 H new ATOM 1599 N ARG A 97 0.320 -2.910 -1.821 1.00 0.00 N ATOM 1600 CA ARG A 97 0.970 -2.894 -3.136 1.00 0.00 C ATOM 1601 C ARG A 97 0.862 -1.498 -3.693 1.00 0.00 C ATOM 1602 O ARG A 97 0.118 -0.690 -3.125 1.00 0.00 O ATOM 1603 CB ARG A 97 0.265 -3.884 -4.104 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.169 -3.504 -4.540 1.00 0.00 C ATOM 1605 CD ARG A 97 -1.855 -4.596 -5.368 1.00 0.00 C ATOM 1606 NE ARG A 97 -3.111 -4.050 -5.996 1.00 0.00 N ATOM 1607 CZ ARG A 97 -3.137 -3.376 -7.191 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -1.994 -3.149 -7.900 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -4.330 -2.921 -7.674 1.00 0.00 N ATOM 0 H ARG A 97 -0.501 -2.308 -1.753 1.00 0.00 H new ATOM 0 HA ARG A 97 2.013 -3.194 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.880 -3.986 -4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.230 -4.864 -3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.769 -3.298 -3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.133 -2.583 -5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.178 -4.957 -6.142 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.096 -5.448 -4.733 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.994 -4.190 -5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.098 -3.482 -7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.035 -2.646 -8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.189 -3.083 -7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.363 -2.419 -8.561 1.00 0.00 H new ATOM 1623 N TRP A 98 1.543 -1.134 -4.827 1.00 0.00 N ATOM 1624 CA TRP A 98 1.369 0.195 -5.396 1.00 0.00 C ATOM 1625 C TRP A 98 0.893 0.374 -6.826 1.00 0.00 C ATOM 1626 O TRP A 98 1.185 -0.407 -7.725 1.00 0.00 O ATOM 1627 CB TRP A 98 2.363 1.222 -4.877 1.00 0.00 C ATOM 1628 CG TRP A 98 1.862 2.646 -4.778 1.00 0.00 C ATOM 1629 CD1 TRP A 98 2.664 3.656 -5.131 1.00 0.00 C ATOM 1630 CD2 TRP A 98 0.585 3.253 -4.406 1.00 0.00 C ATOM 1631 NE1 TRP A 98 1.998 4.816 -5.098 1.00 0.00 N ATOM 1632 CE2 TRP A 98 0.726 4.621 -4.634 1.00 0.00 C ATOM 1633 CE3 TRP A 98 -0.596 2.757 -3.906 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 -0.282 5.511 -4.378 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 -1.589 3.665 -3.582 1.00 0.00 C ATOM 1636 CH2 TRP A 98 -1.449 5.015 -3.836 1.00 0.00 C ATOM 0 H TRP A 98 2.191 -1.738 -5.332 1.00 0.00 H new ATOM 0 HA TRP A 98 0.404 0.446 -4.955 1.00 0.00 H new ATOM 0 HB2 TRP A 98 2.697 0.907 -3.888 1.00 0.00 H new ATOM 0 HB3 TRP A 98 3.238 1.211 -5.527 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.703 3.550 -5.404 1.00 0.00 H new ATOM 0 HE1 TRP A 98 2.384 5.717 -5.379 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -0.744 1.696 -3.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -0.168 6.563 -4.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -2.497 3.308 -3.118 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -2.261 5.689 -3.608 1.00 0.00 H new ATOM 1647 N ILE A 99 0.083 1.464 -6.979 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.673 1.978 -8.095 1.00 0.00 C ATOM 1649 C ILE A 99 0.046 3.291 -8.389 1.00 0.00 C ATOM 1650 O ILE A 99 0.086 4.193 -7.560 1.00 0.00 O ATOM 1651 CB ILE A 99 -2.162 2.066 -7.653 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.582 3.318 -6.822 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -2.429 0.793 -6.813 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.847 3.154 -5.960 1.00 0.00 C ATOM 0 H ILE A 99 -0.054 2.077 -6.175 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.713 1.385 -9.009 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.755 2.154 -8.563 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.753 3.593 -6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.737 4.151 -7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.464 0.794 -6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.250 -0.091 -7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.761 0.779 -5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.046 4.083 -5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.696 2.915 -6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.696 2.348 -5.242 1.00 0.00 H new ATOM 1666 N GLN A 100 0.754 3.428 -9.534 1.00 0.00 N ATOM 1667 CA GLN A 100 1.610 4.606 -9.719 1.00 0.00 C ATOM 1668 C GLN A 100 1.474 5.138 -11.155 1.00 0.00 C ATOM 1669 O GLN A 100 2.098 4.581 -12.055 1.00 0.00 O ATOM 1670 CB GLN A 100 3.107 4.243 -9.326 1.00 0.00 C ATOM 1671 CG GLN A 100 3.360 2.748 -8.941 1.00 0.00 C ATOM 1672 CD GLN A 100 4.827 2.317 -8.775 1.00 0.00 C ATOM 1673 OE1 GLN A 100 5.586 2.049 -9.708 1.00 0.00 O ATOM 1674 NE2 GLN A 100 5.269 2.182 -7.502 1.00 0.00 N ATOM 0 H GLN A 100 0.748 2.765 -10.309 1.00 0.00 H new ATOM 0 HA GLN A 100 1.292 5.413 -9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.756 4.499 -10.163 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.406 4.871 -8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.837 2.544 -8.006 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.904 2.118 -9.705 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.650 2.401 -6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.221 1.862 -7.324 1.00 0.00 H new ATOM 1683 N PRO A 101 0.648 6.189 -11.440 1.00 0.00 N ATOM 1684 CA PRO A 101 0.421 6.746 -12.783 1.00 0.00 C ATOM 1685 C PRO A 101 1.596 7.511 -13.414 1.00 0.00 C ATOM 1686 O PRO A 101 2.495 7.956 -12.704 1.00 0.00 O ATOM 1687 CB PRO A 101 -0.759 7.724 -12.562 1.00 0.00 C ATOM 1688 CG PRO A 101 -1.514 7.137 -11.379 1.00 0.00 C ATOM 1689 CD PRO A 101 -0.346 6.716 -10.495 1.00 0.00 C ATOM 0 HA PRO A 101 0.251 5.929 -13.485 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -0.405 8.733 -12.348 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -1.393 7.789 -13.446 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.160 7.869 -10.894 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.144 6.295 -11.664 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.050 7.559 -9.929 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -0.647 5.960 -9.770 1.00 0.00 H new ATOM 1697 N SER A 102 1.543 7.707 -14.766 1.00 0.00 N ATOM 1698 CA SER A 102 2.481 8.471 -15.604 1.00 0.00 C ATOM 1699 C SER A 102 3.761 7.691 -15.926 1.00 0.00 C ATOM 1700 O SER A 102 4.858 8.238 -15.940 1.00 0.00 O ATOM 1701 CB SER A 102 2.765 9.913 -15.054 1.00 0.00 C ATOM 1702 OG SER A 102 3.220 10.829 -16.055 1.00 0.00 O ATOM 0 H SER A 102 0.789 7.303 -15.322 1.00 0.00 H new ATOM 0 HA SER A 102 1.973 8.617 -16.557 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.855 10.306 -14.601 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.513 9.851 -14.264 1.00 0.00 H new ATOM 0 HG SER A 102 3.377 11.707 -15.648 1.00 0.00 H new ATOM 1708 N ALA A 103 3.608 6.365 -16.196 1.00 0.00 N ATOM 1709 CA ALA A 103 4.612 5.327 -16.410 1.00 0.00 C ATOM 1710 C ALA A 103 5.419 5.406 -17.710 1.00 0.00 C ATOM 1711 O ALA A 103 5.292 4.577 -18.611 1.00 0.00 O ATOM 1712 CB ALA A 103 3.905 3.952 -16.305 1.00 0.00 C ATOM 0 H ALA A 103 2.670 5.972 -16.274 1.00 0.00 H new ATOM 0 HA ALA A 103 5.365 5.479 -15.637 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.633 3.156 -16.461 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.459 3.847 -15.316 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.125 3.885 -17.064 1.00 0.00 H new ATOM 1718 N SER A 104 6.277 6.447 -17.811 1.00 0.00 N ATOM 1719 CA SER A 104 7.133 6.717 -18.958 1.00 0.00 C ATOM 1720 C SER A 104 8.308 7.590 -18.539 1.00 0.00 C ATOM 1721 O SER A 104 9.403 7.079 -18.324 1.00 0.00 O ATOM 1722 CB SER A 104 6.342 7.352 -20.161 1.00 0.00 C ATOM 1723 OG SER A 104 7.151 7.679 -21.299 1.00 0.00 O ATOM 0 H SER A 104 6.386 7.135 -17.066 1.00 0.00 H new ATOM 0 HA SER A 104 7.517 5.763 -19.318 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.562 6.658 -20.473 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.843 8.257 -19.814 1.00 0.00 H new ATOM 0 HG SER A 104 6.587 8.066 -22.001 1.00 0.00 H new ATOM 1729 N CYS A 105 8.062 8.931 -18.477 1.00 0.00 N ATOM 1730 CA CYS A 105 8.967 10.070 -18.247 1.00 0.00 C ATOM 1731 C CYS A 105 9.070 10.897 -19.535 1.00 0.00 C ATOM 1732 O CYS A 105 9.677 11.970 -19.577 1.00 0.00 O ATOM 1733 CB CYS A 105 10.406 9.790 -17.690 1.00 0.00 C ATOM 1734 SG CYS A 105 10.396 9.194 -15.969 1.00 0.00 S ATOM 0 H CYS A 105 7.107 9.266 -18.604 1.00 0.00 H new ATOM 0 HA CYS A 105 8.491 10.601 -17.423 1.00 0.00 H new ATOM 0 HB2 CYS A 105 10.897 9.051 -18.322 1.00 0.00 H new ATOM 0 HB3 CYS A 105 10.997 10.704 -17.749 1.00 0.00 H new ATOM 0 HG CYS A 105 11.311 8.282 -15.820 1.00 0.00 H new ATOM 1740 N ASP A 106 8.485 10.390 -20.661 1.00 0.00 N ATOM 1741 CA ASP A 106 8.406 10.989 -22.003 1.00 0.00 C ATOM 1742 C ASP A 106 9.718 11.063 -22.796 1.00 0.00 C ATOM 1743 O ASP A 106 9.822 10.580 -23.922 1.00 0.00 O ATOM 1744 CB ASP A 106 7.645 12.361 -22.006 1.00 0.00 C ATOM 1745 CG ASP A 106 7.096 12.758 -23.385 1.00 0.00 C ATOM 1746 OD1 ASP A 106 6.249 11.999 -23.926 1.00 0.00 O ATOM 1747 OD2 ASP A 106 7.518 13.825 -23.906 1.00 0.00 O ATOM 0 H ASP A 106 8.024 9.480 -20.637 1.00 0.00 H new ATOM 0 HA ASP A 106 7.810 10.263 -22.556 1.00 0.00 H new ATOM 0 HB2 ASP A 106 6.819 12.310 -21.297 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.320 13.142 -21.654 1.00 0.00 H new ATOM 1752 N LYS A 107 10.768 11.688 -22.207 1.00 0.00 N ATOM 1753 CA LYS A 107 12.100 11.959 -22.752 1.00 0.00 C ATOM 1754 C LYS A 107 13.011 10.735 -22.943 1.00 0.00 C ATOM 1755 O LYS A 107 14.131 10.682 -22.436 1.00 0.00 O ATOM 1756 CB LYS A 107 12.812 12.989 -21.831 1.00 0.00 C ATOM 1757 CG LYS A 107 11.998 14.276 -21.599 1.00 0.00 C ATOM 1758 CD LYS A 107 12.673 15.302 -20.668 1.00 0.00 C ATOM 1759 CE LYS A 107 12.544 15.016 -19.158 1.00 0.00 C ATOM 1760 NZ LYS A 107 13.421 13.912 -18.702 1.00 0.00 N ATOM 0 H LYS A 107 10.685 12.042 -21.254 1.00 0.00 H new ATOM 0 HA LYS A 107 11.931 12.340 -23.759 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.018 12.521 -20.868 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.774 13.252 -22.270 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.808 14.749 -22.563 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.029 14.007 -21.179 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.732 15.354 -20.921 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.248 16.285 -20.871 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.787 15.920 -18.600 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.508 14.769 -18.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.708 14.081 -17.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.905 13.011 -18.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.266 13.868 -19.306 1.00 0.00 H new ATOM 1774 N ILE A 108 12.511 9.713 -23.698 1.00 0.00 N ATOM 1775 CA ILE A 108 13.110 8.414 -24.019 1.00 0.00 C ATOM 1776 C ILE A 108 13.003 7.474 -22.815 1.00 0.00 C ATOM 1777 O ILE A 108 11.989 6.802 -22.634 1.00 0.00 O ATOM 1778 CB ILE A 108 14.478 8.514 -24.737 1.00 0.00 C ATOM 1779 CG1 ILE A 108 14.235 9.142 -26.141 1.00 0.00 C ATOM 1780 CG2 ILE A 108 15.216 7.155 -24.846 1.00 0.00 C ATOM 1781 CD1 ILE A 108 15.506 9.494 -26.934 1.00 0.00 C ATOM 0 H ILE A 108 11.591 9.802 -24.130 1.00 0.00 H new ATOM 0 HA ILE A 108 12.525 7.928 -24.800 1.00 0.00 H new ATOM 0 HB ILE A 108 15.138 9.144 -24.141 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.638 8.448 -26.733 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.641 10.048 -26.018 1.00 0.00 H new ATOM 0 HG21 ILE A 108 16.167 7.297 -25.359 1.00 0.00 H new ATOM 0 HG22 ILE A 108 15.399 6.759 -23.847 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.602 6.452 -25.408 1.00 0.00 H new ATOM 0 HD11 ILE A 108 15.227 9.924 -27.896 1.00 0.00 H new ATOM 0 HD12 ILE A 108 16.098 10.216 -26.371 1.00 0.00 H new ATOM 0 HD13 ILE A 108 16.095 8.591 -27.097 1.00 0.00 H new ATOM 1793 N LEU A 109 14.036 7.471 -21.950 1.00 0.00 N ATOM 1794 CA LEU A 109 14.102 6.725 -20.714 1.00 0.00 C ATOM 1795 C LEU A 109 15.414 7.186 -20.126 1.00 0.00 C ATOM 1796 O LEU A 109 16.482 6.799 -20.592 1.00 0.00 O ATOM 1797 CB LEU A 109 14.065 5.174 -20.892 1.00 0.00 C ATOM 1798 CG LEU A 109 13.679 4.407 -19.610 1.00 0.00 C ATOM 1799 CD1 LEU A 109 12.151 4.233 -19.501 1.00 0.00 C ATOM 1800 CD2 LEU A 109 14.432 3.065 -19.513 1.00 0.00 C ATOM 0 H LEU A 109 14.879 8.020 -22.118 1.00 0.00 H new ATOM 0 HA LEU A 109 13.233 6.912 -20.084 1.00 0.00 H new ATOM 0 HB2 LEU A 109 13.354 4.925 -21.680 1.00 0.00 H new ATOM 0 HB3 LEU A 109 15.045 4.833 -21.227 1.00 0.00 H new ATOM 0 HG LEU A 109 13.989 5.005 -18.753 1.00 0.00 H new ATOM 0 HD11 LEU A 109 11.911 3.689 -18.587 1.00 0.00 H new ATOM 0 HD12 LEU A 109 11.674 5.213 -19.476 1.00 0.00 H new ATOM 0 HD13 LEU A 109 11.786 3.674 -20.363 1.00 0.00 H new ATOM 0 HD21 LEU A 109 14.139 2.548 -18.599 1.00 0.00 H new ATOM 0 HD22 LEU A 109 14.185 2.446 -20.375 1.00 0.00 H new ATOM 0 HD23 LEU A 109 15.506 3.251 -19.496 1.00 0.00 H new ATOM 1812 N VAL A 110 15.413 8.070 -19.090 1.00 0.00 N ATOM 1813 CA VAL A 110 16.636 8.669 -18.536 1.00 0.00 C ATOM 1814 C VAL A 110 17.246 7.811 -17.405 1.00 0.00 C ATOM 1815 O VAL A 110 17.438 8.232 -16.264 1.00 0.00 O ATOM 1816 CB VAL A 110 16.414 10.135 -18.124 1.00 0.00 C ATOM 1817 CG1 VAL A 110 17.760 10.864 -17.908 1.00 0.00 C ATOM 1818 CG2 VAL A 110 15.631 10.878 -19.233 1.00 0.00 C ATOM 0 H VAL A 110 14.560 8.380 -18.624 1.00 0.00 H new ATOM 0 HA VAL A 110 17.380 8.682 -19.333 1.00 0.00 H new ATOM 0 HB VAL A 110 15.851 10.136 -17.190 1.00 0.00 H new ATOM 0 HG11 VAL A 110 17.572 11.898 -17.618 1.00 0.00 H new ATOM 0 HG12 VAL A 110 18.323 10.363 -17.121 1.00 0.00 H new ATOM 0 HG13 VAL A 110 18.336 10.846 -18.833 1.00 0.00 H new ATOM 0 HG21 VAL A 110 15.476 11.915 -18.937 1.00 0.00 H new ATOM 0 HG22 VAL A 110 16.199 10.847 -20.163 1.00 0.00 H new ATOM 0 HG23 VAL A 110 14.665 10.395 -19.382 1.00 0.00 H new ATOM 1828 N ILE A 111 17.560 6.541 -17.761 1.00 0.00 N ATOM 1829 CA ILE A 111 18.143 5.507 -16.921 1.00 0.00 C ATOM 1830 C ILE A 111 18.799 4.562 -17.937 1.00 0.00 C ATOM 1831 O ILE A 111 18.176 4.333 -18.980 1.00 0.00 O ATOM 1832 CB ILE A 111 17.087 4.858 -15.994 1.00 0.00 C ATOM 1833 CG1 ILE A 111 17.643 3.866 -14.946 1.00 0.00 C ATOM 1834 CG2 ILE A 111 15.977 4.168 -16.806 1.00 0.00 C ATOM 1835 CD1 ILE A 111 18.532 4.507 -13.862 1.00 0.00 C ATOM 0 H ILE A 111 17.395 6.206 -18.710 1.00 0.00 H new ATOM 0 HA ILE A 111 18.878 5.870 -16.203 1.00 0.00 H new ATOM 0 HB ILE A 111 16.685 5.700 -15.430 1.00 0.00 H new ATOM 0 HG12 ILE A 111 16.806 3.364 -14.461 1.00 0.00 H new ATOM 0 HG13 ILE A 111 18.219 3.098 -15.462 1.00 0.00 H new ATOM 0 HG21 ILE A 111 15.252 3.722 -16.125 1.00 0.00 H new ATOM 0 HG22 ILE A 111 15.478 4.903 -17.438 1.00 0.00 H new ATOM 0 HG23 ILE A 111 16.414 3.389 -17.431 1.00 0.00 H new ATOM 0 HD11 ILE A 111 18.876 3.737 -13.172 1.00 0.00 H new ATOM 0 HD12 ILE A 111 19.392 4.984 -14.332 1.00 0.00 H new ATOM 0 HD13 ILE A 111 17.957 5.254 -13.315 1.00 0.00 H new ATOM 1847 N PRO A 112 20.013 3.963 -17.780 1.00 0.00 N ATOM 1848 CA PRO A 112 20.688 3.155 -18.809 1.00 0.00 C ATOM 1849 C PRO A 112 20.142 1.714 -18.898 1.00 0.00 C ATOM 1850 O PRO A 112 20.874 0.745 -18.708 1.00 0.00 O ATOM 1851 CB PRO A 112 22.170 3.234 -18.380 1.00 0.00 C ATOM 1852 CG PRO A 112 22.116 3.309 -16.856 1.00 0.00 C ATOM 1853 CD PRO A 112 20.867 4.157 -16.608 1.00 0.00 C ATOM 0 HA PRO A 112 20.526 3.523 -19.822 1.00 0.00 H new ATOM 0 HB2 PRO A 112 22.729 2.361 -18.716 1.00 0.00 H new ATOM 0 HB3 PRO A 112 22.661 4.110 -18.805 1.00 0.00 H new ATOM 0 HG2 PRO A 112 22.031 2.321 -16.404 1.00 0.00 H new ATOM 0 HG3 PRO A 112 23.010 3.774 -16.441 1.00 0.00 H new ATOM 0 HD2 PRO A 112 20.357 3.844 -15.697 1.00 0.00 H new ATOM 0 HD3 PRO A 112 21.127 5.208 -16.483 1.00 0.00 H new ATOM 1861 N SER A 113 18.835 1.588 -19.229 1.00 0.00 N ATOM 1862 CA SER A 113 18.085 0.348 -19.400 1.00 0.00 C ATOM 1863 C SER A 113 17.466 0.354 -20.792 1.00 0.00 C ATOM 1864 O SER A 113 16.349 -0.117 -20.996 1.00 0.00 O ATOM 1865 CB SER A 113 16.990 0.182 -18.299 1.00 0.00 C ATOM 1866 OG SER A 113 16.298 -1.064 -18.392 1.00 0.00 O ATOM 0 H SER A 113 18.251 2.409 -19.391 1.00 0.00 H new ATOM 0 HA SER A 113 18.760 -0.502 -19.296 1.00 0.00 H new ATOM 0 HB2 SER A 113 17.454 0.262 -17.316 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.272 0.998 -18.380 1.00 0.00 H new ATOM 0 HG SER A 113 16.028 -1.220 -19.321 1.00 0.00 H new ATOM 1872 N LYS A 114 18.210 0.897 -21.785 1.00 0.00 N ATOM 1873 CA LYS A 114 17.846 1.091 -23.184 1.00 0.00 C ATOM 1874 C LYS A 114 18.483 0.025 -24.082 1.00 0.00 C ATOM 1875 O LYS A 114 18.289 -0.027 -25.293 1.00 0.00 O ATOM 1876 CB LYS A 114 18.307 2.532 -23.554 1.00 0.00 C ATOM 1877 CG LYS A 114 17.814 3.099 -24.893 1.00 0.00 C ATOM 1878 CD LYS A 114 18.334 4.522 -25.153 1.00 0.00 C ATOM 1879 CE LYS A 114 17.848 5.124 -26.480 1.00 0.00 C ATOM 1880 NZ LYS A 114 18.334 4.350 -27.646 1.00 0.00 N ATOM 0 H LYS A 114 19.155 1.234 -21.599 1.00 0.00 H new ATOM 0 HA LYS A 114 16.772 0.983 -23.336 1.00 0.00 H new ATOM 0 HB2 LYS A 114 17.983 3.206 -22.761 1.00 0.00 H new ATOM 0 HB3 LYS A 114 19.397 2.548 -23.560 1.00 0.00 H new ATOM 0 HG2 LYS A 114 18.136 2.444 -25.703 1.00 0.00 H new ATOM 0 HG3 LYS A 114 16.724 3.106 -24.902 1.00 0.00 H new ATOM 0 HD2 LYS A 114 18.020 5.169 -24.334 1.00 0.00 H new ATOM 0 HD3 LYS A 114 19.424 4.508 -25.148 1.00 0.00 H new ATOM 0 HE2 LYS A 114 16.758 5.150 -26.490 1.00 0.00 H new ATOM 0 HE3 LYS A 114 18.192 6.155 -26.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 18.057 4.834 -28.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 19.370 4.274 -27.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 17.916 3.398 -27.629 1.00 0.00 H new ATOM 1894 N VAL A 115 19.266 -0.897 -23.463 1.00 0.00 N ATOM 1895 CA VAL A 115 20.040 -1.992 -24.038 1.00 0.00 C ATOM 1896 C VAL A 115 19.271 -3.318 -23.962 1.00 0.00 C ATOM 1897 O VAL A 115 19.783 -4.408 -23.712 1.00 0.00 O ATOM 1898 CB VAL A 115 21.442 -2.001 -23.408 1.00 0.00 C ATOM 1899 CG1 VAL A 115 21.414 -2.327 -21.896 1.00 0.00 C ATOM 1900 CG2 VAL A 115 22.423 -2.897 -24.197 1.00 0.00 C ATOM 0 H VAL A 115 19.371 -0.876 -22.449 1.00 0.00 H new ATOM 0 HA VAL A 115 20.190 -1.842 -25.107 1.00 0.00 H new ATOM 0 HB VAL A 115 21.825 -0.983 -23.482 1.00 0.00 H new ATOM 0 HG11 VAL A 115 22.431 -2.320 -21.503 1.00 0.00 H new ATOM 0 HG12 VAL A 115 20.818 -1.579 -21.373 1.00 0.00 H new ATOM 0 HG13 VAL A 115 20.974 -3.312 -21.744 1.00 0.00 H new ATOM 0 HG21 VAL A 115 23.402 -2.875 -23.718 1.00 0.00 H new ATOM 0 HG22 VAL A 115 22.049 -3.921 -24.212 1.00 0.00 H new ATOM 0 HG23 VAL A 115 22.511 -2.528 -25.219 1.00 0.00 H new ATOM 1910 N TRP A 116 17.951 -3.214 -24.248 1.00 0.00 N ATOM 1911 CA TRP A 116 16.966 -4.282 -24.310 1.00 0.00 C ATOM 1912 C TRP A 116 16.799 -4.795 -25.745 1.00 0.00 C ATOM 1913 O TRP A 116 17.753 -4.882 -26.521 1.00 0.00 O ATOM 1914 CB TRP A 116 15.624 -3.855 -23.606 1.00 0.00 C ATOM 1915 CG TRP A 116 14.587 -2.940 -24.287 1.00 0.00 C ATOM 1916 CD1 TRP A 116 14.733 -1.808 -25.046 1.00 0.00 C ATOM 1917 CD2 TRP A 116 13.171 -3.232 -24.279 1.00 0.00 C ATOM 1918 NE1 TRP A 116 13.498 -1.392 -25.512 1.00 0.00 N ATOM 1919 CE2 TRP A 116 12.539 -2.263 -25.055 1.00 0.00 C ATOM 1920 CE3 TRP A 116 12.451 -4.238 -23.691 1.00 0.00 C ATOM 1921 CZ2 TRP A 116 11.189 -2.291 -25.274 1.00 0.00 C ATOM 1922 CZ3 TRP A 116 11.088 -4.272 -23.914 1.00 0.00 C ATOM 1923 CH2 TRP A 116 10.467 -3.319 -24.701 1.00 0.00 C ATOM 0 H TRP A 116 17.532 -2.307 -24.454 1.00 0.00 H new ATOM 0 HA TRP A 116 17.328 -5.138 -23.741 1.00 0.00 H new ATOM 0 HB2 TRP A 116 15.103 -4.776 -23.343 1.00 0.00 H new ATOM 0 HB3 TRP A 116 15.903 -3.369 -22.671 1.00 0.00 H new ATOM 0 HD1 TRP A 116 15.672 -1.314 -25.250 1.00 0.00 H new ATOM 0 HE1 TRP A 116 13.328 -0.574 -26.098 1.00 0.00 H new ATOM 0 HE3 TRP A 116 12.933 -4.981 -23.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 10.705 -1.535 -25.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 10.497 -5.057 -23.466 1.00 0.00 H new ATOM 0 HH2 TRP A 116 9.402 -3.380 -24.870 1.00 0.00 H new ATOM 1934 N GLN A 117 15.565 -5.156 -26.159 1.00 0.00 N ATOM 1935 CA GLN A 117 15.251 -5.624 -27.499 1.00 0.00 C ATOM 1936 C GLN A 117 13.996 -4.919 -27.954 1.00 0.00 C ATOM 1937 O GLN A 117 13.137 -4.550 -27.159 1.00 0.00 O ATOM 1938 CB GLN A 117 15.059 -7.168 -27.566 1.00 0.00 C ATOM 1939 CG GLN A 117 16.361 -7.985 -27.388 1.00 0.00 C ATOM 1940 CD GLN A 117 17.317 -7.793 -28.572 1.00 0.00 C ATOM 1941 OE1 GLN A 117 17.298 -8.566 -29.529 1.00 0.00 O ATOM 1942 NE2 GLN A 117 18.197 -6.764 -28.491 1.00 0.00 N ATOM 0 H GLN A 117 14.750 -5.124 -25.546 1.00 0.00 H new ATOM 0 HA GLN A 117 16.090 -5.394 -28.155 1.00 0.00 H new ATOM 0 HB2 GLN A 117 14.349 -7.467 -26.795 1.00 0.00 H new ATOM 0 HB3 GLN A 117 14.613 -7.425 -28.527 1.00 0.00 H new ATOM 0 HG2 GLN A 117 16.858 -7.682 -26.466 1.00 0.00 H new ATOM 0 HG3 GLN A 117 16.116 -9.042 -27.286 1.00 0.00 H new ATOM 0 HE21 GLN A 117 18.183 -6.143 -27.682 1.00 0.00 H new ATOM 0 HE22 GLN A 117 18.873 -6.611 -29.239 1.00 0.00 H new ATOM 1951 N GLY A 118 13.856 -4.745 -29.284 1.00 0.00 N ATOM 1952 CA GLY A 118 12.682 -4.129 -29.888 1.00 0.00 C ATOM 1953 C GLY A 118 13.037 -3.563 -31.225 1.00 0.00 C ATOM 1954 O GLY A 118 12.397 -3.867 -32.228 1.00 0.00 O ATOM 0 H GLY A 118 14.562 -5.032 -29.962 1.00 0.00 H new ATOM 0 HA2 GLY A 118 11.887 -4.867 -29.995 1.00 0.00 H new ATOM 0 HA3 GLY A 118 12.300 -3.341 -29.239 1.00 0.00 H new ATOM 1958 N GLN A 119 14.089 -2.716 -31.240 1.00 0.00 N ATOM 1959 CA GLN A 119 14.669 -2.025 -32.380 1.00 0.00 C ATOM 1960 C GLN A 119 15.599 -1.060 -31.665 1.00 0.00 C ATOM 1961 O GLN A 119 16.134 -1.378 -30.602 1.00 0.00 O ATOM 1962 CB GLN A 119 13.641 -1.268 -33.306 1.00 0.00 C ATOM 1963 CG GLN A 119 14.169 -0.814 -34.697 1.00 0.00 C ATOM 1964 CD GLN A 119 13.158 0.021 -35.499 1.00 0.00 C ATOM 1965 OE1 GLN A 119 12.958 -0.224 -36.689 1.00 0.00 O ATOM 1966 NE2 GLN A 119 12.548 1.055 -34.865 1.00 0.00 N ATOM 0 H GLN A 119 14.585 -2.489 -30.378 1.00 0.00 H new ATOM 0 HA GLN A 119 15.136 -2.706 -33.091 1.00 0.00 H new ATOM 0 HB2 GLN A 119 12.780 -1.917 -33.463 1.00 0.00 H new ATOM 0 HB3 GLN A 119 13.284 -0.388 -32.772 1.00 0.00 H new ATOM 0 HG2 GLN A 119 15.079 -0.231 -34.558 1.00 0.00 H new ATOM 0 HG3 GLN A 119 14.441 -1.695 -35.278 1.00 0.00 H new ATOM 0 HE21 GLN A 119 12.736 1.230 -33.878 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.902 1.656 -35.376 1.00 0.00 H new ATOM 1975 N ALA A 120 15.731 0.190 -32.180 1.00 0.00 N ATOM 1976 CA ALA A 120 16.431 1.321 -31.595 1.00 0.00 C ATOM 1977 C ALA A 120 15.476 2.020 -30.622 1.00 0.00 C ATOM 1978 O ALA A 120 14.800 2.996 -30.945 1.00 0.00 O ATOM 1979 CB ALA A 120 16.915 2.275 -32.709 1.00 0.00 C ATOM 0 H ALA A 120 15.315 0.432 -33.079 1.00 0.00 H new ATOM 0 HA ALA A 120 17.315 0.991 -31.049 1.00 0.00 H new ATOM 0 HB1 ALA A 120 17.439 3.120 -32.262 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.591 1.741 -33.377 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.057 2.638 -33.275 1.00 0.00 H new ATOM 1985 N PHE A 121 15.381 1.412 -29.410 1.00 0.00 N ATOM 1986 CA PHE A 121 14.525 1.707 -28.270 1.00 0.00 C ATOM 1987 C PHE A 121 13.148 1.042 -28.393 1.00 0.00 C ATOM 1988 O PHE A 121 12.737 0.291 -27.507 1.00 0.00 O ATOM 1989 CB PHE A 121 14.487 3.215 -27.848 1.00 0.00 C ATOM 1990 CG PHE A 121 13.783 3.463 -26.529 1.00 0.00 C ATOM 1991 CD1 PHE A 121 14.105 2.738 -25.391 1.00 0.00 C ATOM 1992 CD2 PHE A 121 12.763 4.392 -26.455 1.00 0.00 C ATOM 1993 CE1 PHE A 121 13.422 2.920 -24.208 1.00 0.00 C ATOM 1994 CE2 PHE A 121 12.073 4.574 -25.277 1.00 0.00 C ATOM 1995 CZ PHE A 121 12.395 3.837 -24.157 1.00 0.00 C ATOM 0 H PHE A 121 15.980 0.613 -29.203 1.00 0.00 H new ATOM 0 HA PHE A 121 15.007 1.236 -27.413 1.00 0.00 H new ATOM 0 HB2 PHE A 121 15.508 3.590 -27.780 1.00 0.00 H new ATOM 0 HB3 PHE A 121 13.988 3.789 -28.629 1.00 0.00 H new ATOM 0 HD1 PHE A 121 14.907 2.016 -25.433 1.00 0.00 H new ATOM 0 HD2 PHE A 121 12.506 4.978 -27.325 1.00 0.00 H new ATOM 0 HE1 PHE A 121 13.689 2.350 -23.330 1.00 0.00 H new ATOM 0 HE2 PHE A 121 11.274 5.299 -25.230 1.00 0.00 H new ATOM 0 HZ PHE A 121 11.842 3.979 -23.240 1.00 0.00 H new ATOM 2005 N HIS A 122 12.420 1.301 -29.506 1.00 0.00 N ATOM 2006 CA HIS A 122 11.103 0.757 -29.756 1.00 0.00 C ATOM 2007 C HIS A 122 10.818 0.861 -31.248 1.00 0.00 C ATOM 2008 O HIS A 122 11.573 1.467 -32.010 1.00 0.00 O ATOM 2009 CB HIS A 122 10.016 1.479 -28.898 1.00 0.00 C ATOM 2010 CG HIS A 122 8.675 0.801 -28.874 1.00 0.00 C ATOM 2011 ND1 HIS A 122 7.601 1.184 -29.645 1.00 0.00 N ATOM 2012 CD2 HIS A 122 8.279 -0.327 -28.225 1.00 0.00 C ATOM 2013 CE1 HIS A 122 6.615 0.280 -29.432 1.00 0.00 C ATOM 2014 NE2 HIS A 122 6.985 -0.658 -28.587 1.00 0.00 N ATOM 0 H HIS A 122 12.755 1.906 -30.256 1.00 0.00 H new ATOM 0 HA HIS A 122 11.072 -0.291 -29.458 1.00 0.00 H new ATOM 0 HB2 HIS A 122 10.381 1.567 -27.875 1.00 0.00 H new ATOM 0 HB3 HIS A 122 9.888 2.492 -29.278 1.00 0.00 H new ATOM 0 HD1 HIS A 122 7.556 1.996 -30.261 1.00 0.00 H new ATOM 0 HD2 HIS A 122 8.887 -0.884 -27.528 1.00 0.00 H new ATOM 0 HE1 HIS A 122 5.642 0.324 -29.899 1.00 0.00 H new ATOM 2022 N LEU A 123 9.695 0.255 -31.695 1.00 0.00 N ATOM 2023 CA LEU A 123 9.185 0.224 -33.062 1.00 0.00 C ATOM 2024 C LEU A 123 7.860 0.997 -33.177 1.00 0.00 C ATOM 2025 O LEU A 123 7.556 1.865 -32.358 1.00 0.00 O ATOM 2026 CB LEU A 123 9.051 -1.251 -33.545 1.00 0.00 C ATOM 2027 CG LEU A 123 8.197 -2.184 -32.647 1.00 0.00 C ATOM 2028 CD1 LEU A 123 7.277 -3.071 -33.506 1.00 0.00 C ATOM 2029 CD2 LEU A 123 9.076 -3.048 -31.718 1.00 0.00 C ATOM 0 H LEU A 123 9.087 -0.258 -31.056 1.00 0.00 H new ATOM 0 HA LEU A 123 9.896 0.727 -33.718 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.619 -1.247 -34.546 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.051 -1.677 -33.631 1.00 0.00 H new ATOM 0 HG LEU A 123 7.577 -1.550 -32.013 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.686 -3.718 -32.857 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.610 -2.441 -34.095 1.00 0.00 H new ATOM 0 HD13 LEU A 123 7.882 -3.683 -34.175 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.440 -3.687 -31.106 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.741 -3.668 -32.319 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.669 -2.400 -31.072 1.00 0.00 H new ATOM 2041 N ASP A 124 7.032 0.698 -34.204 1.00 0.00 N ATOM 2042 CA ASP A 124 5.750 1.340 -34.440 1.00 0.00 C ATOM 2043 C ASP A 124 4.867 0.332 -35.150 1.00 0.00 C ATOM 2044 O ASP A 124 5.382 -0.577 -35.800 1.00 0.00 O ATOM 2045 CB ASP A 124 5.842 2.698 -35.221 1.00 0.00 C ATOM 2046 CG ASP A 124 6.585 2.621 -36.568 1.00 0.00 C ATOM 2047 OD1 ASP A 124 7.831 2.434 -36.556 1.00 0.00 O ATOM 2048 OD2 ASP A 124 5.907 2.760 -37.621 1.00 0.00 O ATOM 0 H ASP A 124 7.256 -0.015 -34.899 1.00 0.00 H new ATOM 0 HA ASP A 124 5.321 1.628 -33.480 1.00 0.00 H new ATOM 0 HB2 ASP A 124 4.832 3.067 -35.400 1.00 0.00 H new ATOM 0 HB3 ASP A 124 6.342 3.431 -34.588 1.00 0.00 H new ATOM 2053 N ARG A 125 3.522 0.498 -35.023 1.00 0.00 N ATOM 2054 CA ARG A 125 2.456 -0.318 -35.604 1.00 0.00 C ATOM 2055 C ARG A 125 2.170 -1.593 -34.807 1.00 0.00 C ATOM 2056 O ARG A 125 1.704 -1.531 -33.672 1.00 0.00 O ATOM 2057 CB ARG A 125 2.602 -0.539 -37.143 1.00 0.00 C ATOM 2058 CG ARG A 125 1.331 -1.015 -37.880 1.00 0.00 C ATOM 2059 CD ARG A 125 1.552 -1.131 -39.397 1.00 0.00 C ATOM 2060 NE ARG A 125 0.294 -1.637 -40.057 1.00 0.00 N ATOM 2061 CZ ARG A 125 -0.727 -0.829 -40.484 1.00 0.00 C ATOM 2062 NH1 ARG A 125 -0.667 0.525 -40.334 1.00 0.00 N ATOM 2063 NH2 ARG A 125 -1.823 -1.393 -41.074 1.00 0.00 N ATOM 0 H ARG A 125 3.143 1.266 -34.469 1.00 0.00 H new ATOM 0 HA ARG A 125 1.548 0.277 -35.507 1.00 0.00 H new ATOM 0 HB2 ARG A 125 2.932 0.396 -37.595 1.00 0.00 H new ATOM 0 HB3 ARG A 125 3.392 -1.271 -37.312 1.00 0.00 H new ATOM 0 HG2 ARG A 125 1.024 -1.983 -37.484 1.00 0.00 H new ATOM 0 HG3 ARG A 125 0.517 -0.317 -37.685 1.00 0.00 H new ATOM 0 HD2 ARG A 125 1.825 -0.160 -39.810 1.00 0.00 H new ATOM 0 HD3 ARG A 125 2.380 -1.809 -39.603 1.00 0.00 H new ATOM 0 HE ARG A 125 0.197 -2.643 -40.194 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.149 0.954 -39.897 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -1.438 1.109 -40.659 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -1.875 -2.405 -41.192 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -2.590 -0.802 -41.396 1.00 0.00 H new ATOM 2077 N ARG A 126 2.434 -2.777 -35.401 1.00 0.00 N ATOM 2078 CA ARG A 126 2.212 -4.091 -34.837 1.00 0.00 C ATOM 2079 C ARG A 126 2.865 -5.018 -35.841 1.00 0.00 C ATOM 2080 O ARG A 126 2.994 -4.663 -37.012 1.00 0.00 O ATOM 2081 CB ARG A 126 0.696 -4.441 -34.678 1.00 0.00 C ATOM 2082 CG ARG A 126 0.386 -5.802 -34.012 1.00 0.00 C ATOM 2083 CD ARG A 126 -1.118 -6.080 -33.824 1.00 0.00 C ATOM 2084 NE ARG A 126 -1.820 -6.107 -35.159 1.00 0.00 N ATOM 2085 CZ ARG A 126 -1.809 -7.175 -36.019 1.00 0.00 C ATOM 2086 NH1 ARG A 126 -1.131 -8.321 -35.719 1.00 0.00 N ATOM 2087 NH2 ARG A 126 -2.487 -7.084 -37.202 1.00 0.00 N ATOM 0 H ARG A 126 2.830 -2.825 -36.340 1.00 0.00 H new ATOM 0 HA ARG A 126 2.620 -4.168 -33.829 1.00 0.00 H new ATOM 0 HB2 ARG A 126 0.220 -3.654 -34.092 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.234 -4.427 -35.665 1.00 0.00 H new ATOM 0 HG2 ARG A 126 0.819 -6.598 -34.617 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.876 -5.839 -33.039 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -1.257 -7.033 -33.314 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -1.560 -5.312 -33.189 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.338 -5.275 -35.441 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.619 -8.395 -34.840 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -1.137 -9.103 -36.374 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.993 -6.229 -37.436 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -2.487 -7.871 -37.851 1.00 0.00 H new ATOM 2101 N LEU A 127 3.287 -6.235 -35.421 1.00 0.00 N ATOM 2102 CA LEU A 127 3.873 -7.248 -36.291 1.00 0.00 C ATOM 2103 C LEU A 127 2.912 -8.418 -36.474 1.00 0.00 C ATOM 2104 O LEU A 127 2.393 -8.976 -35.512 1.00 0.00 O ATOM 2105 CB LEU A 127 5.206 -7.810 -35.730 1.00 0.00 C ATOM 2106 CG LEU A 127 6.358 -6.797 -35.589 1.00 0.00 C ATOM 2107 CD1 LEU A 127 7.613 -7.545 -35.113 1.00 0.00 C ATOM 2108 CD2 LEU A 127 6.652 -6.036 -36.892 1.00 0.00 C ATOM 0 H LEU A 127 3.222 -6.532 -34.447 1.00 0.00 H new ATOM 0 HA LEU A 127 4.069 -6.754 -37.243 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.010 -8.246 -34.751 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.538 -8.620 -36.379 1.00 0.00 H new ATOM 0 HG LEU A 127 6.057 -6.045 -34.860 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.438 -6.841 -35.008 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.413 -8.015 -34.150 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.879 -8.310 -35.842 1.00 0.00 H new ATOM 0 HD21 LEU A 127 7.473 -5.338 -36.728 1.00 0.00 H new ATOM 0 HD22 LEU A 127 6.928 -6.745 -37.673 1.00 0.00 H new ATOM 0 HD23 LEU A 127 5.763 -5.485 -37.200 1.00 0.00 H new ATOM 2120 N GLU A 128 2.694 -8.842 -37.747 1.00 0.00 N ATOM 2121 CA GLU A 128 1.837 -9.958 -38.137 1.00 0.00 C ATOM 2122 C GLU A 128 2.608 -11.280 -38.180 1.00 0.00 C ATOM 2123 O GLU A 128 2.022 -12.356 -38.249 1.00 0.00 O ATOM 2124 CB GLU A 128 1.164 -9.705 -39.520 1.00 0.00 C ATOM 2125 CG GLU A 128 0.159 -8.530 -39.551 1.00 0.00 C ATOM 2126 CD GLU A 128 0.849 -7.164 -39.549 1.00 0.00 C ATOM 2127 OE1 GLU A 128 1.618 -6.888 -40.508 1.00 0.00 O ATOM 2128 OE2 GLU A 128 0.612 -6.376 -38.594 1.00 0.00 O ATOM 0 H GLU A 128 3.134 -8.389 -38.548 1.00 0.00 H new ATOM 0 HA GLU A 128 1.062 -10.032 -37.374 1.00 0.00 H new ATOM 0 HB2 GLU A 128 1.944 -9.516 -40.258 1.00 0.00 H new ATOM 0 HB3 GLU A 128 0.647 -10.614 -39.828 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -0.467 -8.615 -40.440 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -0.502 -8.600 -38.687 1.00 0.00 H new ATOM 2135 N ARG A 129 3.964 -11.213 -38.144 1.00 0.00 N ATOM 2136 CA ARG A 129 4.913 -12.320 -38.219 1.00 0.00 C ATOM 2137 C ARG A 129 5.021 -13.254 -36.991 1.00 0.00 C ATOM 2138 O ARG A 129 4.900 -14.464 -37.195 1.00 0.00 O ATOM 2139 CB ARG A 129 6.323 -11.838 -38.692 1.00 0.00 C ATOM 2140 CG ARG A 129 6.296 -10.942 -39.950 1.00 0.00 C ATOM 2141 CD ARG A 129 6.175 -9.433 -39.658 1.00 0.00 C ATOM 2142 NE ARG A 129 5.957 -8.710 -40.962 1.00 0.00 N ATOM 2143 CZ ARG A 129 5.337 -7.493 -41.063 1.00 0.00 C ATOM 2144 NH1 ARG A 129 4.890 -6.834 -39.955 1.00 0.00 N ATOM 2145 NH2 ARG A 129 5.161 -6.932 -42.295 1.00 0.00 N ATOM 0 H ARG A 129 4.441 -10.316 -38.055 1.00 0.00 H new ATOM 0 HA ARG A 129 4.465 -12.964 -38.975 1.00 0.00 H new ATOM 0 HB2 ARG A 129 6.799 -11.290 -37.879 1.00 0.00 H new ATOM 0 HB3 ARG A 129 6.944 -12.711 -38.894 1.00 0.00 H new ATOM 0 HG2 ARG A 129 7.206 -11.116 -40.524 1.00 0.00 H new ATOM 0 HG3 ARG A 129 5.459 -11.246 -40.579 1.00 0.00 H new ATOM 0 HD2 ARG A 129 5.345 -9.244 -38.977 1.00 0.00 H new ATOM 0 HD3 ARG A 129 7.078 -9.068 -39.169 1.00 0.00 H new ATOM 0 HE ARG A 129 6.290 -9.152 -41.819 1.00 0.00 H new ATOM 0 HH11 ARG A 129 5.015 -7.247 -39.031 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.431 -5.928 -40.051 1.00 0.00 H new ATOM 0 HH21 ARG A 129 5.490 -7.419 -43.129 1.00 0.00 H new ATOM 0 HH22 ARG A 129 4.700 -6.026 -42.382 1.00 0.00 H new ATOM 2159 N PRO A 130 5.241 -12.846 -35.710 1.00 0.00 N ATOM 2160 CA PRO A 130 5.402 -13.761 -34.572 1.00 0.00 C ATOM 2161 C PRO A 130 4.064 -14.316 -34.041 1.00 0.00 C ATOM 2162 O PRO A 130 3.653 -14.000 -32.926 1.00 0.00 O ATOM 2163 CB PRO A 130 6.147 -12.885 -33.541 1.00 0.00 C ATOM 2164 CG PRO A 130 5.626 -11.469 -33.796 1.00 0.00 C ATOM 2165 CD PRO A 130 5.429 -11.451 -35.313 1.00 0.00 C ATOM 0 HA PRO A 130 5.944 -14.671 -34.832 1.00 0.00 H new ATOM 0 HB2 PRO A 130 5.938 -13.207 -32.521 1.00 0.00 H new ATOM 0 HB3 PRO A 130 7.227 -12.942 -33.678 1.00 0.00 H new ATOM 0 HG2 PRO A 130 4.694 -11.279 -33.264 1.00 0.00 H new ATOM 0 HG3 PRO A 130 6.339 -10.711 -33.471 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.564 -10.847 -35.587 1.00 0.00 H new ATOM 0 HD3 PRO A 130 6.294 -11.016 -35.814 1.00 0.00 H new ATOM 2173 N HIS A 131 3.396 -15.210 -34.816 1.00 0.00 N ATOM 2174 CA HIS A 131 2.130 -15.880 -34.516 1.00 0.00 C ATOM 2175 C HIS A 131 2.317 -17.137 -33.655 1.00 0.00 C ATOM 2176 O HIS A 131 1.947 -18.253 -34.021 1.00 0.00 O ATOM 2177 CB HIS A 131 1.399 -16.225 -35.847 1.00 0.00 C ATOM 2178 CG HIS A 131 -0.063 -16.575 -35.712 1.00 0.00 C ATOM 2179 ND1 HIS A 131 -1.093 -15.661 -35.799 1.00 0.00 N ATOM 2180 CD2 HIS A 131 -0.659 -17.785 -35.525 1.00 0.00 C ATOM 2181 CE1 HIS A 131 -2.251 -16.357 -35.671 1.00 0.00 C ATOM 2182 NE2 HIS A 131 -2.037 -17.648 -35.504 1.00 0.00 N ATOM 0 H HIS A 131 3.763 -15.492 -35.725 1.00 0.00 H new ATOM 0 HA HIS A 131 1.520 -15.194 -33.928 1.00 0.00 H new ATOM 0 HB2 HIS A 131 1.490 -15.375 -36.523 1.00 0.00 H new ATOM 0 HB3 HIS A 131 1.914 -17.063 -36.318 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -0.131 -18.720 -35.409 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -3.232 -15.907 -35.702 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -2.733 -18.384 -35.385 1.00 0.00 H new ATOM 2190 N ARG A 132 2.922 -16.962 -32.452 1.00 0.00 N ATOM 2191 CA ARG A 132 3.232 -18.012 -31.488 1.00 0.00 C ATOM 2192 C ARG A 132 2.110 -18.173 -30.468 1.00 0.00 C ATOM 2193 O ARG A 132 2.088 -17.531 -29.421 1.00 0.00 O ATOM 2194 CB ARG A 132 4.596 -17.736 -30.794 1.00 0.00 C ATOM 2195 CG ARG A 132 5.149 -18.822 -29.836 1.00 0.00 C ATOM 2196 CD ARG A 132 5.531 -20.165 -30.491 1.00 0.00 C ATOM 2197 NE ARG A 132 4.298 -21.004 -30.703 1.00 0.00 N ATOM 2198 CZ ARG A 132 4.255 -22.091 -31.535 1.00 0.00 C ATOM 2199 NH1 ARG A 132 5.362 -22.495 -32.222 1.00 0.00 N ATOM 2200 NH2 ARG A 132 3.082 -22.776 -31.680 1.00 0.00 N ATOM 0 H ARG A 132 3.214 -16.040 -32.128 1.00 0.00 H new ATOM 0 HA ARG A 132 3.317 -18.955 -32.029 1.00 0.00 H new ATOM 0 HB2 ARG A 132 5.340 -17.565 -31.572 1.00 0.00 H new ATOM 0 HB3 ARG A 132 4.504 -16.807 -30.231 1.00 0.00 H new ATOM 0 HG2 ARG A 132 6.029 -18.422 -29.333 1.00 0.00 H new ATOM 0 HG3 ARG A 132 4.402 -19.015 -29.066 1.00 0.00 H new ATOM 0 HD2 ARG A 132 6.027 -19.986 -31.445 1.00 0.00 H new ATOM 0 HD3 ARG A 132 6.240 -20.699 -29.858 1.00 0.00 H new ATOM 0 HE ARG A 132 3.449 -20.749 -30.199 1.00 0.00 H new ATOM 0 HH11 ARG A 132 6.240 -21.985 -32.120 1.00 0.00 H new ATOM 0 HH12 ARG A 132 5.312 -23.307 -32.837 1.00 0.00 H new ATOM 0 HH21 ARG A 132 2.250 -22.476 -31.171 1.00 0.00 H new ATOM 0 HH22 ARG A 132 3.038 -23.587 -32.297 1.00 0.00 H new ATOM 2214 N ASP A 133 1.138 -19.056 -30.791 1.00 0.00 N ATOM 2215 CA ASP A 133 -0.024 -19.339 -29.957 1.00 0.00 C ATOM 2216 C ASP A 133 -0.383 -20.812 -30.050 1.00 0.00 C ATOM 2217 O ASP A 133 0.486 -21.680 -29.989 1.00 0.00 O ATOM 2218 CB ASP A 133 -1.241 -18.406 -30.270 1.00 0.00 C ATOM 2219 CG ASP A 133 -1.520 -18.238 -31.773 1.00 0.00 C ATOM 2220 OD1 ASP A 133 -2.011 -19.208 -32.408 1.00 0.00 O ATOM 2221 OD2 ASP A 133 -1.245 -17.126 -32.299 1.00 0.00 O ATOM 0 H ASP A 133 1.151 -19.595 -31.657 1.00 0.00 H new ATOM 0 HA ASP A 133 0.245 -19.117 -28.924 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -2.131 -18.810 -29.787 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.058 -17.425 -29.832 1.00 0.00 H new TER 2226 ASP A 133