USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1042 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 106 MET CE :methyl 171:sc= -0.0746 (180deg=-0.298) USER MOD Set 1.2: A 114 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.45) USER MOD Set 2.1: A 52 GLN : amide:sc= -3.63 K(o=-11,f=-12!) USER MOD Set 2.2: A 56 THR OG1 : rot -100:sc= -0.545 USER MOD Set 2.3: A 107 MET CE :methyl -113:sc= -6.33! (180deg=-12.3!) USER MOD Set 3.1: A 27 LYS NZ :NH3+ -130:sc= -0.27 (180deg=-1.28) USER MOD Set 3.2: A 31 HIS : no HD1:sc= 0.0177 K(o=-0.25,f=-0.86) USER MOD Set 4.1: A 18 LYS NZ :NH3+ 157:sc=-0.00334 (180deg=0) USER MOD Set 4.2: A 47 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-1.1) USER MOD Single : A 1 SER N :NH3+ 130:sc= 0.522 (180deg=0.0146) USER MOD Single : A 1 SER OG : rot 180:sc= 0.167 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -6.37! C(o=-6.4!,f=-8.3!) USER MOD Single : A 16 GLN : amide:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 20 TYR OH : rot 142:sc= 0.435 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc=-0.00384 (180deg=-0.00384) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -133:sc= 0.846 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -1.44 X(o=-1.4,f=-0.95) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0633 USER MOD Single : A 61 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.27) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00097 USER MOD Single : A 64 SER OG : rot 180:sc= -0.208 USER MOD Single : A 70 ASN : amide:sc= -2.01 K(o=-2,f=-6.2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-1.9) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.07! USER MOD Single : A 89 ASN : amide:sc= -1.96 X(o=-2,f=-1.5!) USER MOD Single : A 96 THR OG1 : rot 30:sc= 0.265 USER MOD Single : A 97 SER OG : rot 180:sc=0.000489 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -151:sc= 0.0406 (180deg=-0.0442) USER MOD Single : A 132 THR OG1 : rot -178:sc= -1.36 USER MOD Single : A 134 THR OG1 : rot 82:sc= 0.125 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.114 -30.327 -2.500 1.00 0.00 N ATOM 2 CA SER A 1 6.008 -30.916 -1.699 1.00 0.00 C ATOM 3 C SER A 1 6.324 -30.873 -0.208 1.00 0.00 C ATOM 4 O SER A 1 7.481 -30.731 0.188 1.00 0.00 O ATOM 5 CB SER A 1 5.795 -32.362 -2.152 1.00 0.00 C ATOM 6 OG SER A 1 6.350 -32.581 -3.437 1.00 0.00 O ATOM 0 H1 SER A 1 7.375 -30.981 -3.266 1.00 0.00 H new ATOM 0 H2 SER A 1 6.803 -29.422 -2.908 1.00 0.00 H new ATOM 0 H3 SER A 1 7.939 -30.165 -1.887 1.00 0.00 H new ATOM 0 HA SER A 1 5.101 -30.334 -1.859 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.253 -33.042 -1.434 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.729 -32.587 -2.170 1.00 0.00 H new ATOM 0 HG SER A 1 6.202 -33.513 -3.703 1.00 0.00 H new ATOM 14 N GLY A 2 5.287 -30.997 0.615 1.00 0.00 N ATOM 15 CA GLY A 2 5.473 -30.969 2.054 1.00 0.00 C ATOM 16 C GLY A 2 4.980 -29.679 2.678 1.00 0.00 C ATOM 17 O GLY A 2 3.787 -29.525 2.942 1.00 0.00 O ATOM 0 H GLY A 2 4.321 -31.116 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.945 -31.811 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.531 -31.099 2.283 1.00 0.00 H new ATOM 21 N PHE A 3 5.901 -28.750 2.916 1.00 0.00 N ATOM 22 CA PHE A 3 5.556 -27.466 3.513 1.00 0.00 C ATOM 23 C PHE A 3 4.806 -26.586 2.518 1.00 0.00 C ATOM 24 O PHE A 3 4.990 -26.707 1.306 1.00 0.00 O ATOM 25 CB PHE A 3 6.817 -26.748 3.997 1.00 0.00 C ATOM 26 CG PHE A 3 7.551 -27.488 5.079 1.00 0.00 C ATOM 27 CD1 PHE A 3 7.148 -27.388 6.400 1.00 0.00 C ATOM 28 CD2 PHE A 3 8.645 -28.282 4.774 1.00 0.00 C ATOM 29 CE1 PHE A 3 7.820 -28.069 7.398 1.00 0.00 C ATOM 30 CE2 PHE A 3 9.321 -28.965 5.768 1.00 0.00 C ATOM 31 CZ PHE A 3 8.909 -28.857 7.081 1.00 0.00 C ATOM 0 H PHE A 3 6.892 -28.863 2.704 1.00 0.00 H new ATOM 0 HA PHE A 3 4.904 -27.655 4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.488 -26.599 3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.544 -25.759 4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 3 6.299 -26.771 6.654 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.973 -28.368 3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 3 7.494 -27.985 8.424 1.00 0.00 H new ATOM 0 HE2 PHE A 3 10.171 -29.583 5.517 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.437 -29.388 7.859 1.00 0.00 H new ATOM 41 N VAL A 4 3.962 -25.701 3.038 1.00 0.00 N ATOM 42 CA VAL A 4 3.184 -24.799 2.196 1.00 0.00 C ATOM 43 C VAL A 4 4.064 -23.707 1.599 1.00 0.00 C ATOM 44 O VAL A 4 4.987 -23.216 2.249 1.00 0.00 O ATOM 45 CB VAL A 4 2.036 -24.142 2.986 1.00 0.00 C ATOM 46 CG1 VAL A 4 1.056 -23.464 2.041 1.00 0.00 C ATOM 47 CG2 VAL A 4 1.325 -25.170 3.853 1.00 0.00 C ATOM 0 H VAL A 4 3.799 -25.589 4.039 1.00 0.00 H new ATOM 0 HA VAL A 4 2.763 -25.403 1.392 1.00 0.00 H new ATOM 0 HB VAL A 4 2.461 -23.381 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.252 -23.006 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.575 -22.696 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.637 -24.204 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.518 -24.686 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.913 -25.957 3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.034 -25.605 4.557 1.00 0.00 H new ATOM 57 N CYS A 5 3.772 -23.330 0.358 1.00 0.00 N ATOM 58 CA CYS A 5 4.535 -22.294 -0.329 1.00 0.00 C ATOM 59 C CYS A 5 3.780 -21.785 -1.552 1.00 0.00 C ATOM 60 O CYS A 5 4.219 -21.972 -2.688 1.00 0.00 O ATOM 61 CB CYS A 5 5.905 -22.832 -0.747 1.00 0.00 C ATOM 62 SG CYS A 5 7.007 -21.575 -1.470 1.00 0.00 S ATOM 0 H CYS A 5 3.011 -23.727 -0.193 1.00 0.00 H new ATOM 0 HA CYS A 5 4.675 -21.462 0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 5 6.393 -23.270 0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.763 -23.635 -1.470 1.00 0.00 H new ATOM 67 N ASN A 6 2.642 -21.141 -1.313 1.00 0.00 N ATOM 68 CA ASN A 6 1.825 -20.604 -2.396 1.00 0.00 C ATOM 69 C ASN A 6 0.680 -19.757 -1.847 1.00 0.00 C ATOM 70 O ASN A 6 -0.491 -20.029 -2.114 1.00 0.00 O ATOM 71 CB ASN A 6 1.266 -21.741 -3.255 1.00 0.00 C ATOM 72 CG ASN A 6 1.335 -21.433 -4.738 1.00 0.00 C ATOM 73 OD1 ASN A 6 0.718 -20.480 -5.215 1.00 0.00 O ATOM 74 ND2 ASN A 6 2.086 -22.242 -5.476 1.00 0.00 N ATOM 0 H ASN A 6 2.265 -20.978 -0.379 1.00 0.00 H new ATOM 0 HA ASN A 6 2.460 -19.969 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.823 -22.655 -3.050 1.00 0.00 H new ATOM 0 HB3 ASN A 6 0.230 -21.930 -2.974 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.169 -22.086 -6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.580 -23.020 -5.038 1.00 0.00 H new ATOM 81 N THR A 7 1.028 -18.727 -1.082 1.00 0.00 N ATOM 82 CA THR A 7 0.028 -17.840 -0.499 1.00 0.00 C ATOM 83 C THR A 7 -0.310 -16.703 -1.457 1.00 0.00 C ATOM 84 O THR A 7 -1.106 -15.821 -1.133 1.00 0.00 O ATOM 85 CB THR A 7 0.532 -17.271 0.830 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.554 -16.959 1.685 1.00 0.00 O ATOM 87 CG2 THR A 7 1.367 -16.016 0.676 1.00 0.00 C ATOM 0 H THR A 7 1.992 -18.487 -0.852 1.00 0.00 H new ATOM 0 HA THR A 7 -0.876 -18.420 -0.317 1.00 0.00 H new ATOM 0 HB THR A 7 1.162 -18.054 1.253 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.212 -16.598 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.689 -15.670 1.658 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.242 -16.234 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.772 -15.240 0.195 1.00 0.00 H new ATOM 95 N CYS A 8 0.305 -16.724 -2.636 1.00 0.00 N ATOM 96 CA CYS A 8 0.073 -15.687 -3.631 1.00 0.00 C ATOM 97 C CYS A 8 -0.572 -16.257 -4.893 1.00 0.00 C ATOM 98 O CYS A 8 0.113 -16.556 -5.871 1.00 0.00 O ATOM 99 CB CYS A 8 1.387 -14.984 -3.979 1.00 0.00 C ATOM 100 SG CYS A 8 2.504 -14.759 -2.556 1.00 0.00 S ATOM 0 H CYS A 8 0.965 -17.446 -2.923 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.618 -14.961 -3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.904 -15.560 -4.746 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.163 -14.008 -4.410 1.00 0.00 H new ATOM 105 N PRO A 9 -1.909 -16.413 -4.887 1.00 0.00 N ATOM 106 CA PRO A 9 -2.647 -16.945 -6.033 1.00 0.00 C ATOM 107 C PRO A 9 -2.771 -15.936 -7.171 1.00 0.00 C ATOM 108 O PRO A 9 -2.158 -16.098 -8.227 1.00 0.00 O ATOM 109 CB PRO A 9 -4.023 -17.268 -5.448 1.00 0.00 C ATOM 110 CG PRO A 9 -4.183 -16.324 -4.307 1.00 0.00 C ATOM 111 CD PRO A 9 -2.803 -16.081 -3.758 1.00 0.00 C ATOM 0 HA PRO A 9 -2.144 -17.804 -6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.810 -17.130 -6.189 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.078 -18.304 -5.115 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.639 -15.391 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.836 -16.746 -3.543 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.676 -15.047 -3.439 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.602 -16.709 -2.890 1.00 0.00 H new ATOM 119 N GLU A 10 -3.570 -14.894 -6.952 1.00 0.00 N ATOM 120 CA GLU A 10 -3.777 -13.861 -7.963 1.00 0.00 C ATOM 121 C GLU A 10 -3.487 -12.472 -7.400 1.00 0.00 C ATOM 122 O GLU A 10 -2.426 -11.899 -7.653 1.00 0.00 O ATOM 123 CB GLU A 10 -5.210 -13.917 -8.500 1.00 0.00 C ATOM 124 CG GLU A 10 -5.941 -15.208 -8.167 1.00 0.00 C ATOM 125 CD GLU A 10 -7.271 -15.325 -8.882 1.00 0.00 C ATOM 126 OE1 GLU A 10 -7.276 -15.727 -10.066 1.00 0.00 O ATOM 127 OE2 GLU A 10 -8.310 -15.015 -8.261 1.00 0.00 O ATOM 0 H GLU A 10 -4.084 -14.743 -6.084 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.082 -14.052 -8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.773 -13.077 -8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.187 -13.792 -9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.312 -16.057 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.105 -15.261 -7.091 1.00 0.00 H new ATOM 134 N LYS A 11 -4.439 -11.938 -6.642 1.00 0.00 N ATOM 135 CA LYS A 11 -4.296 -10.612 -6.043 1.00 0.00 C ATOM 136 C LYS A 11 -2.971 -10.488 -5.298 1.00 0.00 C ATOM 137 O LYS A 11 -2.327 -9.441 -5.325 1.00 0.00 O ATOM 138 CB LYS A 11 -5.458 -10.330 -5.088 1.00 0.00 C ATOM 139 CG LYS A 11 -5.897 -11.544 -4.284 1.00 0.00 C ATOM 140 CD LYS A 11 -7.404 -11.733 -4.340 1.00 0.00 C ATOM 141 CE LYS A 11 -7.825 -13.038 -3.683 1.00 0.00 C ATOM 142 NZ LYS A 11 -8.739 -13.829 -4.554 1.00 0.00 N ATOM 0 H LYS A 11 -5.321 -12.403 -6.426 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.309 -9.877 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.167 -9.536 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.307 -9.959 -5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.403 -12.436 -4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.582 -11.428 -3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.896 -10.898 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.735 -11.724 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.940 -13.631 -3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.321 -12.824 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.003 -14.711 -4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.596 -13.274 -4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.258 -14.055 -5.448 1.00 0.00 H new ATOM 156 N TRP A 12 -2.567 -11.567 -4.641 1.00 0.00 N ATOM 157 CA TRP A 12 -1.319 -11.591 -3.894 1.00 0.00 C ATOM 158 C TRP A 12 -0.127 -11.611 -4.848 1.00 0.00 C ATOM 159 O TRP A 12 -0.185 -12.226 -5.912 1.00 0.00 O ATOM 160 CB TRP A 12 -1.269 -12.815 -2.980 1.00 0.00 C ATOM 161 CG TRP A 12 -2.212 -12.746 -1.820 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.569 -12.594 -1.870 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.869 -12.832 -0.432 1.00 0.00 C ATOM 164 NE1 TRP A 12 -4.089 -12.581 -0.598 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.066 -12.724 0.302 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.666 -12.989 0.261 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.093 -12.770 1.694 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.693 -13.034 1.643 1.00 0.00 C ATOM 169 CH2 TRP A 12 -1.899 -12.926 2.346 1.00 0.00 C ATOM 0 H TRP A 12 -3.090 -12.442 -4.611 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.269 -10.690 -3.283 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.496 -13.704 -3.568 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.253 -12.933 -2.603 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.148 -12.498 -2.777 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.076 -12.481 -0.362 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.269 -13.074 -0.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.022 -12.686 2.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.231 -13.154 2.189 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.887 -12.967 3.425 1.00 0.00 H new ATOM 180 N ILE A 13 0.949 -10.934 -4.464 1.00 0.00 N ATOM 181 CA ILE A 13 2.151 -10.875 -5.291 1.00 0.00 C ATOM 182 C ILE A 13 3.414 -11.071 -4.454 1.00 0.00 C ATOM 183 O ILE A 13 3.635 -10.359 -3.479 1.00 0.00 O ATOM 184 CB ILE A 13 2.259 -9.529 -6.034 1.00 0.00 C ATOM 185 CG1 ILE A 13 0.925 -8.764 -5.980 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.696 -9.761 -7.468 1.00 0.00 C ATOM 187 CD1 ILE A 13 -0.014 -9.062 -7.135 1.00 0.00 C ATOM 0 H ILE A 13 1.015 -10.418 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 13 2.067 -11.684 -6.017 1.00 0.00 H new ATOM 0 HB ILE A 13 3.011 -8.916 -5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.419 -9.005 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.134 -7.694 -5.964 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.770 -8.804 -7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.668 -10.254 -7.477 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.965 -10.392 -7.974 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.929 -8.482 -7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.469 -8.794 -8.075 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.257 -10.125 -7.142 1.00 0.00 H new ATOM 199 N ASN A 14 4.245 -12.036 -4.848 1.00 0.00 N ATOM 200 CA ASN A 14 5.485 -12.320 -4.128 1.00 0.00 C ATOM 201 C ASN A 14 6.708 -11.904 -4.943 1.00 0.00 C ATOM 202 O ASN A 14 6.672 -11.883 -6.173 1.00 0.00 O ATOM 203 CB ASN A 14 5.561 -13.803 -3.760 1.00 0.00 C ATOM 204 CG ASN A 14 6.550 -14.077 -2.642 1.00 0.00 C ATOM 205 OD1 ASN A 14 6.164 -14.470 -1.542 1.00 0.00 O ATOM 206 ND2 ASN A 14 7.833 -13.868 -2.915 1.00 0.00 N ATOM 0 H ASN A 14 4.082 -12.632 -5.659 1.00 0.00 H new ATOM 0 HA ASN A 14 5.483 -11.732 -3.210 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.573 -14.150 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.846 -14.378 -4.641 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.540 -14.034 -2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.111 -13.542 -3.841 1.00 0.00 H new ATOM 213 N PHE A 15 7.788 -11.556 -4.242 1.00 0.00 N ATOM 214 CA PHE A 15 9.019 -11.122 -4.886 1.00 0.00 C ATOM 215 C PHE A 15 10.215 -11.933 -4.385 1.00 0.00 C ATOM 216 O PHE A 15 10.190 -13.165 -4.409 1.00 0.00 O ATOM 217 CB PHE A 15 9.240 -9.631 -4.621 1.00 0.00 C ATOM 218 CG PHE A 15 7.981 -8.817 -4.693 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.515 -8.338 -5.906 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.262 -8.533 -3.544 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.355 -7.589 -5.971 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.102 -7.787 -3.601 1.00 0.00 C ATOM 223 CZ PHE A 15 5.647 -7.314 -4.817 1.00 0.00 C ATOM 0 H PHE A 15 7.830 -11.568 -3.223 1.00 0.00 H new ATOM 0 HA PHE A 15 8.927 -11.288 -5.959 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.687 -9.508 -3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.956 -9.243 -5.346 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.064 -8.552 -6.811 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.613 -8.900 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.003 -7.219 -6.923 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.551 -7.573 -2.697 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.740 -6.730 -4.865 1.00 0.00 H new ATOM 233 N GLN A 16 11.260 -11.238 -3.932 1.00 0.00 N ATOM 234 CA GLN A 16 12.459 -11.895 -3.426 1.00 0.00 C ATOM 235 C GLN A 16 12.102 -12.966 -2.402 1.00 0.00 C ATOM 236 O GLN A 16 12.636 -14.075 -2.441 1.00 0.00 O ATOM 237 CB GLN A 16 13.403 -10.867 -2.800 1.00 0.00 C ATOM 238 CG GLN A 16 13.794 -9.745 -3.747 1.00 0.00 C ATOM 239 CD GLN A 16 14.797 -10.190 -4.793 1.00 0.00 C ATOM 240 OE1 GLN A 16 16.005 -10.036 -4.617 1.00 0.00 O ATOM 241 NE2 GLN A 16 14.299 -10.747 -5.892 1.00 0.00 N ATOM 0 H GLN A 16 11.297 -10.219 -3.907 1.00 0.00 H new ATOM 0 HA GLN A 16 12.962 -12.375 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.927 -10.438 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.305 -11.375 -2.459 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.901 -9.365 -4.243 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.215 -8.920 -3.173 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.290 -10.855 -5.997 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.926 -11.066 -6.631 1.00 0.00 H new ATOM 250 N ARG A 17 11.194 -12.633 -1.487 1.00 0.00 N ATOM 251 CA ARG A 17 10.772 -13.579 -0.462 1.00 0.00 C ATOM 252 C ARG A 17 9.516 -13.104 0.262 1.00 0.00 C ATOM 253 O ARG A 17 9.004 -13.794 1.143 1.00 0.00 O ATOM 254 CB ARG A 17 11.899 -13.813 0.546 1.00 0.00 C ATOM 255 CG ARG A 17 12.420 -12.535 1.183 1.00 0.00 C ATOM 256 CD ARG A 17 13.774 -12.142 0.615 1.00 0.00 C ATOM 257 NE ARG A 17 14.744 -11.848 1.667 1.00 0.00 N ATOM 258 CZ ARG A 17 15.998 -12.290 1.659 1.00 0.00 C ATOM 259 NH1 ARG A 17 16.432 -13.047 0.660 1.00 0.00 N ATOM 260 NH2 ARG A 17 16.818 -11.978 2.652 1.00 0.00 N ATOM 0 H ARG A 17 10.740 -11.721 -1.436 1.00 0.00 H new ATOM 0 HA ARG A 17 10.536 -14.518 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.541 -14.480 1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.723 -14.322 0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.707 -11.728 1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.502 -12.672 2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.152 -12.949 -0.012 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.658 -11.268 -0.026 1.00 0.00 H new ATOM 0 HE ARG A 17 14.442 -11.271 2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.803 -13.292 -0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.395 -13.384 0.657 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.487 -11.398 3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.780 -12.318 2.645 1.00 0.00 H new ATOM 274 N LYS A 18 9.013 -11.934 -0.119 1.00 0.00 N ATOM 275 CA LYS A 18 7.812 -11.395 0.492 1.00 0.00 C ATOM 276 C LYS A 18 6.685 -11.342 -0.513 1.00 0.00 C ATOM 277 O LYS A 18 6.904 -11.325 -1.719 1.00 0.00 O ATOM 278 CB LYS A 18 8.041 -9.996 1.052 1.00 0.00 C ATOM 279 CG LYS A 18 8.305 -8.956 -0.016 1.00 0.00 C ATOM 280 CD LYS A 18 9.669 -8.316 0.164 1.00 0.00 C ATOM 281 CE LYS A 18 9.555 -6.918 0.751 1.00 0.00 C ATOM 282 NZ LYS A 18 10.194 -5.894 -0.121 1.00 0.00 N ATOM 0 H LYS A 18 9.420 -11.346 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 18 7.547 -12.060 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.167 -9.697 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.886 -10.022 1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.245 -9.419 -1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.532 -8.188 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.280 -8.938 0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.179 -8.267 -0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.503 -6.669 0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.022 -6.899 1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.782 -4.961 0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.217 -5.868 0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.030 -6.137 -1.119 1.00 0.00 H new ATOM 296 N CYS A 19 5.481 -11.307 0.004 1.00 0.00 N ATOM 297 CA CYS A 19 4.293 -11.247 -0.825 1.00 0.00 C ATOM 298 C CYS A 19 3.433 -10.057 -0.427 1.00 0.00 C ATOM 299 O CYS A 19 3.642 -9.452 0.622 1.00 0.00 O ATOM 300 CB CYS A 19 3.498 -12.553 -0.722 1.00 0.00 C ATOM 301 SG CYS A 19 2.284 -12.800 -2.061 1.00 0.00 S ATOM 0 H CYS A 19 5.293 -11.319 1.006 1.00 0.00 H new ATOM 0 HA CYS A 19 4.598 -11.119 -1.863 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.196 -13.390 -0.721 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.976 -12.572 0.234 1.00 0.00 H new ATOM 306 N TYR A 20 2.473 -9.726 -1.273 1.00 0.00 N ATOM 307 CA TYR A 20 1.581 -8.605 -1.021 1.00 0.00 C ATOM 308 C TYR A 20 0.141 -9.077 -1.054 1.00 0.00 C ATOM 309 O TYR A 20 -0.261 -9.800 -1.960 1.00 0.00 O ATOM 310 CB TYR A 20 1.755 -7.511 -2.086 1.00 0.00 C ATOM 311 CG TYR A 20 2.926 -6.572 -1.876 1.00 0.00 C ATOM 312 CD1 TYR A 20 3.959 -6.874 -0.997 1.00 0.00 C ATOM 313 CD2 TYR A 20 2.988 -5.370 -2.571 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.020 -6.004 -0.819 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.042 -4.497 -2.399 1.00 0.00 C ATOM 316 CZ TYR A 20 5.056 -4.817 -1.521 1.00 0.00 C ATOM 317 OH TYR A 20 6.110 -3.949 -1.345 1.00 0.00 O ATOM 0 H TYR A 20 2.290 -10.220 -2.146 1.00 0.00 H new ATOM 0 HA TYR A 20 1.828 -8.197 -0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.867 -7.990 -3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.841 -6.919 -2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.933 -7.802 -0.445 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.196 -5.115 -3.259 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.817 -6.253 -0.133 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.073 -3.568 -2.949 1.00 0.00 H new ATOM 0 HH TYR A 20 6.346 -3.542 -2.205 1.00 0.00 H new ATOM 327 N TYR A 21 -0.638 -8.650 -0.079 1.00 0.00 N ATOM 328 CA TYR A 21 -2.038 -9.016 -0.019 1.00 0.00 C ATOM 329 C TYR A 21 -2.862 -7.878 -0.602 1.00 0.00 C ATOM 330 O TYR A 21 -2.959 -6.799 -0.021 1.00 0.00 O ATOM 331 CB TYR A 21 -2.445 -9.304 1.428 1.00 0.00 C ATOM 332 CG TYR A 21 -3.937 -9.259 1.677 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.832 -9.830 0.781 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.447 -8.647 2.813 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.191 -9.791 1.008 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.805 -8.605 3.051 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.675 -9.177 2.145 1.00 0.00 C ATOM 338 OH TYR A 21 -8.031 -9.135 2.377 1.00 0.00 O ATOM 0 H TYR A 21 -0.324 -8.049 0.683 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.215 -9.922 -0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.071 -10.289 1.709 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.958 -8.580 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.456 -10.313 -0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.769 -8.196 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.873 -10.238 0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.186 -8.127 3.942 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.204 -8.668 3.221 1.00 0.00 H new ATOM 348 N PHE A 22 -3.428 -8.128 -1.773 1.00 0.00 N ATOM 349 CA PHE A 22 -4.217 -7.131 -2.471 1.00 0.00 C ATOM 350 C PHE A 22 -5.711 -7.385 -2.282 1.00 0.00 C ATOM 351 O PHE A 22 -6.199 -8.487 -2.533 1.00 0.00 O ATOM 352 CB PHE A 22 -3.852 -7.166 -3.960 1.00 0.00 C ATOM 353 CG PHE A 22 -2.514 -6.549 -4.294 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.681 -6.061 -3.297 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.087 -6.461 -5.612 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.457 -5.499 -3.606 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.861 -5.901 -5.928 1.00 0.00 C ATOM 358 CZ PHE A 22 -0.045 -5.419 -4.921 1.00 0.00 C ATOM 0 H PHE A 22 -3.353 -9.021 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.996 -6.146 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.854 -8.203 -4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.628 -6.647 -4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.994 -6.121 -2.265 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.721 -6.835 -6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.178 -5.122 -2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.543 -5.841 -6.958 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.912 -4.981 -5.163 1.00 0.00 H new ATOM 368 N GLY A 23 -6.430 -6.360 -1.835 1.00 0.00 N ATOM 369 CA GLY A 23 -7.859 -6.493 -1.617 1.00 0.00 C ATOM 370 C GLY A 23 -8.637 -5.277 -2.081 1.00 0.00 C ATOM 371 O GLY A 23 -8.052 -4.296 -2.538 1.00 0.00 O ATOM 0 H GLY A 23 -6.048 -5.439 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.222 -7.375 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.047 -6.656 -0.556 1.00 0.00 H new ATOM 375 N LYS A 24 -9.960 -5.345 -1.964 1.00 0.00 N ATOM 376 CA LYS A 24 -10.825 -4.245 -2.374 1.00 0.00 C ATOM 377 C LYS A 24 -11.758 -3.833 -1.240 1.00 0.00 C ATOM 378 O LYS A 24 -11.952 -4.580 -0.281 1.00 0.00 O ATOM 379 CB LYS A 24 -11.643 -4.644 -3.603 1.00 0.00 C ATOM 380 CG LYS A 24 -10.837 -4.666 -4.892 1.00 0.00 C ATOM 381 CD LYS A 24 -10.194 -6.023 -5.123 1.00 0.00 C ATOM 382 CE LYS A 24 -9.998 -6.301 -6.605 1.00 0.00 C ATOM 383 NZ LYS A 24 -8.711 -7.001 -6.874 1.00 0.00 N ATOM 0 H LYS A 24 -10.457 -6.153 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.193 -3.394 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.074 -5.632 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.475 -3.949 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.486 -4.422 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.064 -3.898 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.231 -6.062 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.818 -6.802 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.825 -6.908 -6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.022 -5.361 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.616 -7.172 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.920 -6.411 -6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.698 -7.910 -6.368 1.00 0.00 H new ATOM 397 N GLY A 25 -12.334 -2.640 -1.357 1.00 0.00 N ATOM 398 CA GLY A 25 -13.241 -2.149 -0.333 1.00 0.00 C ATOM 399 C GLY A 25 -13.480 -0.656 -0.433 1.00 0.00 C ATOM 400 O GLY A 25 -13.513 -0.098 -1.531 1.00 0.00 O ATOM 0 H GLY A 25 -12.189 -2.005 -2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.194 -2.672 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.833 -2.383 0.651 1.00 0.00 H new ATOM 404 N THR A 26 -13.648 -0.006 0.716 1.00 0.00 N ATOM 405 CA THR A 26 -13.887 1.433 0.755 1.00 0.00 C ATOM 406 C THR A 26 -13.760 1.973 2.178 1.00 0.00 C ATOM 407 O THR A 26 -14.623 1.733 3.023 1.00 0.00 O ATOM 408 CB THR A 26 -15.275 1.757 0.197 1.00 0.00 C ATOM 409 OG1 THR A 26 -15.690 3.049 0.605 1.00 0.00 O ATOM 410 CG2 THR A 26 -16.342 0.774 0.632 1.00 0.00 C ATOM 0 H THR A 26 -13.623 -0.454 1.632 1.00 0.00 H new ATOM 0 HA THR A 26 -13.131 1.915 0.136 1.00 0.00 H new ATOM 0 HB THR A 26 -15.171 1.698 -0.886 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.578 3.239 0.237 1.00 0.00 H new ATOM 0 HG21 THR A 26 -17.301 1.063 0.201 1.00 0.00 H new ATOM 0 HG22 THR A 26 -16.077 -0.226 0.289 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.418 0.777 1.719 1.00 0.00 H new ATOM 418 N LYS A 27 -12.679 2.703 2.434 1.00 0.00 N ATOM 419 CA LYS A 27 -12.436 3.281 3.753 1.00 0.00 C ATOM 420 C LYS A 27 -11.331 4.335 3.689 1.00 0.00 C ATOM 421 O LYS A 27 -11.221 5.068 2.706 1.00 0.00 O ATOM 422 CB LYS A 27 -12.066 2.184 4.757 1.00 0.00 C ATOM 423 CG LYS A 27 -11.242 1.056 4.157 1.00 0.00 C ATOM 424 CD LYS A 27 -11.334 -0.209 4.997 1.00 0.00 C ATOM 425 CE LYS A 27 -12.705 -0.856 4.883 1.00 0.00 C ATOM 426 NZ LYS A 27 -13.566 -0.547 6.057 1.00 0.00 N ATOM 0 H LYS A 27 -11.956 2.909 1.745 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.353 3.766 4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.508 2.631 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.980 1.768 5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.590 0.848 3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.200 1.367 4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.569 -0.916 4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.129 0.030 6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.195 -0.510 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.590 -1.936 4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.973 -1.428 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.995 -0.089 6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.333 0.093 5.766 1.00 0.00 H new ATOM 440 N GLN A 28 -10.515 4.409 4.739 1.00 0.00 N ATOM 441 CA GLN A 28 -9.425 5.377 4.793 1.00 0.00 C ATOM 442 C GLN A 28 -8.080 4.675 4.955 1.00 0.00 C ATOM 443 O GLN A 28 -8.010 3.446 4.989 1.00 0.00 O ATOM 444 CB GLN A 28 -9.644 6.359 5.945 1.00 0.00 C ATOM 445 CG GLN A 28 -10.634 7.465 5.619 1.00 0.00 C ATOM 446 CD GLN A 28 -11.770 7.543 6.619 1.00 0.00 C ATOM 447 OE1 GLN A 28 -11.665 8.217 7.645 1.00 0.00 O ATOM 448 NE2 GLN A 28 -12.865 6.852 6.326 1.00 0.00 N ATOM 0 H GLN A 28 -10.589 3.811 5.562 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.415 5.928 3.852 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.999 5.810 6.817 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.688 6.806 6.217 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.110 8.421 5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.043 7.300 4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.909 6.307 5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.662 6.866 6.962 1.00 0.00 H new ATOM 457 N TRP A 29 -7.013 5.464 5.054 1.00 0.00 N ATOM 458 CA TRP A 29 -5.669 4.920 5.211 1.00 0.00 C ATOM 459 C TRP A 29 -5.522 4.204 6.546 1.00 0.00 C ATOM 460 O TRP A 29 -5.033 3.076 6.607 1.00 0.00 O ATOM 461 CB TRP A 29 -4.628 6.035 5.100 1.00 0.00 C ATOM 462 CG TRP A 29 -3.231 5.571 5.379 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.348 5.042 4.482 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.557 5.593 6.643 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.167 4.732 5.110 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.269 5.062 6.437 1.00 0.00 C ATOM 467 CE3 TRP A 29 -2.916 6.009 7.927 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.342 4.938 7.469 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -1.995 5.885 8.951 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.721 5.354 8.716 1.00 0.00 C ATOM 0 H TRP A 29 -7.054 6.483 5.028 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.504 4.196 4.413 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.668 6.462 4.098 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.885 6.833 5.797 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.549 4.890 3.432 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.347 4.323 4.662 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.896 6.421 8.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.641 4.528 7.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.263 6.203 9.948 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.023 5.271 9.536 1.00 0.00 H new ATOM 481 N VAL A 30 -5.949 4.868 7.612 1.00 0.00 N ATOM 482 CA VAL A 30 -5.868 4.301 8.950 1.00 0.00 C ATOM 483 C VAL A 30 -6.563 2.948 9.007 1.00 0.00 C ATOM 484 O VAL A 30 -6.172 2.067 9.772 1.00 0.00 O ATOM 485 CB VAL A 30 -6.493 5.237 10.001 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.581 6.423 10.271 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.868 5.706 9.548 1.00 0.00 C ATOM 0 H VAL A 30 -6.356 5.803 7.575 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.810 4.176 9.180 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.611 4.680 10.931 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.040 7.073 11.016 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.621 6.066 10.643 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.428 6.982 9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.294 6.366 10.303 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.776 6.245 8.605 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.520 4.843 9.411 1.00 0.00 H new ATOM 497 N HIS A 31 -7.594 2.790 8.188 1.00 0.00 N ATOM 498 CA HIS A 31 -8.339 1.542 8.143 1.00 0.00 C ATOM 499 C HIS A 31 -7.518 0.449 7.469 1.00 0.00 C ATOM 500 O HIS A 31 -7.629 -0.725 7.819 1.00 0.00 O ATOM 501 CB HIS A 31 -9.663 1.737 7.402 1.00 0.00 C ATOM 502 CG HIS A 31 -10.855 1.764 8.308 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.544 0.628 8.681 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.483 2.798 8.916 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.543 0.962 9.477 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.527 2.273 9.637 1.00 0.00 N ATOM 0 H HIS A 31 -7.932 3.509 7.548 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.551 1.235 9.167 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.622 2.670 6.840 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.786 0.933 6.676 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.213 3.841 8.847 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.252 0.280 9.922 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.184 2.809 10.204 1.00 0.00 H new ATOM 515 N ALA A 32 -6.690 0.841 6.504 1.00 0.00 N ATOM 516 CA ALA A 32 -5.853 -0.115 5.795 1.00 0.00 C ATOM 517 C ALA A 32 -4.744 -0.636 6.697 1.00 0.00 C ATOM 518 O ALA A 32 -4.536 -1.843 6.803 1.00 0.00 O ATOM 519 CB ALA A 32 -5.264 0.520 4.546 1.00 0.00 C ATOM 0 H ALA A 32 -6.583 1.808 6.199 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.476 -0.958 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.641 -0.208 4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.070 0.843 3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.658 1.382 4.827 1.00 0.00 H new ATOM 525 N ARG A 33 -4.045 0.279 7.357 1.00 0.00 N ATOM 526 CA ARG A 33 -2.967 -0.094 8.260 1.00 0.00 C ATOM 527 C ARG A 33 -3.486 -0.975 9.388 1.00 0.00 C ATOM 528 O ARG A 33 -2.817 -1.918 9.812 1.00 0.00 O ATOM 529 CB ARG A 33 -2.287 1.151 8.836 1.00 0.00 C ATOM 530 CG ARG A 33 -3.256 2.158 9.430 1.00 0.00 C ATOM 531 CD ARG A 33 -3.184 2.171 10.949 1.00 0.00 C ATOM 532 NE ARG A 33 -3.155 3.530 11.484 1.00 0.00 N ATOM 533 CZ ARG A 33 -2.638 3.845 12.669 1.00 0.00 C ATOM 534 NH1 ARG A 33 -2.108 2.903 13.437 1.00 0.00 N ATOM 535 NH2 ARG A 33 -2.652 5.104 13.084 1.00 0.00 N ATOM 0 H ARG A 33 -4.206 1.283 7.283 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.232 -0.660 7.688 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.579 0.844 9.606 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.711 1.636 8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.030 3.153 9.045 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.271 1.917 9.115 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.043 1.639 11.357 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.293 1.634 11.274 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.553 4.279 10.918 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.096 1.934 13.120 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.713 3.148 14.345 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.059 5.831 12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.256 5.346 13.992 1.00 0.00 H new ATOM 549 N TYR A 34 -4.686 -0.665 9.868 1.00 0.00 N ATOM 550 CA TYR A 34 -5.296 -1.432 10.946 1.00 0.00 C ATOM 551 C TYR A 34 -5.758 -2.797 10.450 1.00 0.00 C ATOM 552 O TYR A 34 -5.764 -3.773 11.202 1.00 0.00 O ATOM 553 CB TYR A 34 -6.478 -0.666 11.543 1.00 0.00 C ATOM 554 CG TYR A 34 -6.593 -0.803 13.044 1.00 0.00 C ATOM 555 CD1 TYR A 34 -7.170 -1.930 13.615 1.00 0.00 C ATOM 556 CD2 TYR A 34 -6.125 0.195 13.889 1.00 0.00 C ATOM 557 CE1 TYR A 34 -7.277 -2.058 14.988 1.00 0.00 C ATOM 558 CE2 TYR A 34 -6.227 0.074 15.262 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.804 -1.054 15.805 1.00 0.00 C ATOM 560 OH TYR A 34 -6.908 -1.179 17.172 1.00 0.00 O ATOM 0 H TYR A 34 -5.254 0.111 9.528 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.543 -1.583 11.720 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.381 0.390 11.289 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.400 -1.021 11.083 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.541 -2.719 12.977 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.674 1.080 13.466 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.729 -2.940 15.418 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.857 0.858 15.906 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.526 -0.386 17.603 1.00 0.00 H new ATOM 570 N ALA A 35 -6.148 -2.859 9.180 1.00 0.00 N ATOM 571 CA ALA A 35 -6.614 -4.105 8.587 1.00 0.00 C ATOM 572 C ALA A 35 -5.467 -5.086 8.388 1.00 0.00 C ATOM 573 O ALA A 35 -5.616 -6.285 8.630 1.00 0.00 O ATOM 574 CB ALA A 35 -7.317 -3.833 7.266 1.00 0.00 C ATOM 0 H ALA A 35 -6.150 -2.062 8.544 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.326 -4.559 9.277 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.659 -4.774 6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.173 -3.180 7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.624 -3.350 6.578 1.00 0.00 H new ATOM 580 N CYS A 36 -4.325 -4.572 7.955 1.00 0.00 N ATOM 581 CA CYS A 36 -3.154 -5.406 7.734 1.00 0.00 C ATOM 582 C CYS A 36 -2.518 -5.784 9.065 1.00 0.00 C ATOM 583 O CYS A 36 -1.879 -6.830 9.189 1.00 0.00 O ATOM 584 CB CYS A 36 -2.134 -4.680 6.854 1.00 0.00 C ATOM 585 SG CYS A 36 -2.875 -3.699 5.508 1.00 0.00 S ATOM 0 H CYS A 36 -4.185 -3.583 7.750 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.471 -6.314 7.222 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.533 -4.021 7.481 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.455 -5.415 6.422 1.00 0.00 H new ATOM 590 N ASP A 37 -2.703 -4.922 10.059 1.00 0.00 N ATOM 591 CA ASP A 37 -2.156 -5.156 11.390 1.00 0.00 C ATOM 592 C ASP A 37 -2.956 -6.222 12.131 1.00 0.00 C ATOM 593 O ASP A 37 -2.449 -6.867 13.049 1.00 0.00 O ATOM 594 CB ASP A 37 -2.149 -3.856 12.196 1.00 0.00 C ATOM 595 CG ASP A 37 -1.113 -3.868 13.304 1.00 0.00 C ATOM 596 OD1 ASP A 37 -1.345 -4.546 14.326 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.070 -3.200 13.147 1.00 0.00 O ATOM 0 H ASP A 37 -3.229 -4.053 9.967 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.132 -5.512 11.276 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.952 -3.018 11.527 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.137 -3.694 12.628 1.00 0.00 H new ATOM 602 N ASP A 38 -4.213 -6.394 11.731 1.00 0.00 N ATOM 603 CA ASP A 38 -5.092 -7.373 12.362 1.00 0.00 C ATOM 604 C ASP A 38 -4.513 -8.781 12.276 1.00 0.00 C ATOM 605 O ASP A 38 -4.606 -9.556 13.229 1.00 0.00 O ATOM 606 CB ASP A 38 -6.475 -7.339 11.709 1.00 0.00 C ATOM 607 CG ASP A 38 -7.574 -7.011 12.700 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.855 -7.855 13.577 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.155 -5.910 12.599 1.00 0.00 O ATOM 0 H ASP A 38 -4.646 -5.867 10.972 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.182 -7.108 13.416 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.478 -6.599 10.909 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.681 -8.306 11.249 1.00 0.00 H new ATOM 614 N MET A 39 -3.916 -9.106 11.132 1.00 0.00 N ATOM 615 CA MET A 39 -3.321 -10.426 10.927 1.00 0.00 C ATOM 616 C MET A 39 -2.698 -10.549 9.540 1.00 0.00 C ATOM 617 O MET A 39 -1.769 -11.333 9.340 1.00 0.00 O ATOM 618 CB MET A 39 -4.377 -11.519 11.113 1.00 0.00 C ATOM 619 CG MET A 39 -5.606 -11.334 10.238 1.00 0.00 C ATOM 620 SD MET A 39 -7.102 -11.035 11.199 1.00 0.00 S ATOM 621 CE MET A 39 -8.292 -12.014 10.285 1.00 0.00 C ATOM 0 H MET A 39 -3.831 -8.476 10.334 1.00 0.00 H new ATOM 0 HA MET A 39 -2.532 -10.550 11.669 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.928 -12.488 10.894 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.685 -11.540 12.158 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.441 -10.497 9.559 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.746 -12.222 9.622 1.00 0.00 H new ATOM 0 HE1 MET A 39 -9.271 -11.932 10.758 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.352 -11.649 9.260 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.978 -13.058 10.281 1.00 0.00 H new ATOM 631 N GLU A 40 -3.220 -9.783 8.584 1.00 0.00 N ATOM 632 CA GLU A 40 -2.723 -9.814 7.211 1.00 0.00 C ATOM 633 C GLU A 40 -1.196 -9.764 7.171 1.00 0.00 C ATOM 634 O GLU A 40 -0.536 -10.803 7.131 1.00 0.00 O ATOM 635 CB GLU A 40 -3.314 -8.654 6.406 1.00 0.00 C ATOM 636 CG GLU A 40 -4.834 -8.624 6.408 1.00 0.00 C ATOM 637 CD GLU A 40 -5.449 -9.984 6.141 1.00 0.00 C ATOM 638 OE1 GLU A 40 -4.963 -10.687 5.229 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.416 -10.346 6.843 1.00 0.00 O ATOM 0 H GLU A 40 -3.990 -9.131 8.736 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.039 -10.755 6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.940 -7.714 6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.962 -8.720 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.184 -8.255 7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.180 -7.919 5.652 1.00 0.00 H new ATOM 646 N GLY A 41 -0.636 -8.557 7.181 1.00 0.00 N ATOM 647 CA GLY A 41 0.811 -8.420 7.145 1.00 0.00 C ATOM 648 C GLY A 41 1.301 -7.090 7.682 1.00 0.00 C ATOM 649 O GLY A 41 1.507 -6.929 8.884 1.00 0.00 O ATOM 0 H GLY A 41 -1.153 -7.678 7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.260 -9.226 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.155 -8.538 6.117 1.00 0.00 H new ATOM 653 N GLN A 42 1.509 -6.148 6.775 1.00 0.00 N ATOM 654 CA GLN A 42 2.006 -4.826 7.113 1.00 0.00 C ATOM 655 C GLN A 42 1.554 -3.862 6.044 1.00 0.00 C ATOM 656 O GLN A 42 1.188 -4.289 4.956 1.00 0.00 O ATOM 657 CB GLN A 42 3.534 -4.833 7.182 1.00 0.00 C ATOM 658 CG GLN A 42 4.148 -3.445 7.257 1.00 0.00 C ATOM 659 CD GLN A 42 5.661 -3.468 7.169 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.330 -4.151 7.944 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.208 -2.718 6.219 1.00 0.00 N ATOM 0 H GLN A 42 1.336 -6.281 5.779 1.00 0.00 H new ATOM 0 HA GLN A 42 1.618 -4.526 8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.847 -5.407 8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.926 -5.347 6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.751 -2.832 6.448 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.850 -2.971 8.192 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.614 -2.168 5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.222 -2.693 6.110 1.00 0.00 H new ATOM 670 N LEU A 43 1.576 -2.572 6.307 1.00 0.00 N ATOM 671 CA LEU A 43 1.162 -1.670 5.271 1.00 0.00 C ATOM 672 C LEU A 43 2.285 -1.636 4.249 1.00 0.00 C ATOM 673 O LEU A 43 3.401 -1.196 4.527 1.00 0.00 O ATOM 674 CB LEU A 43 0.893 -0.277 5.846 1.00 0.00 C ATOM 675 CG LEU A 43 -0.280 0.489 5.226 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.550 -0.342 5.256 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.491 1.805 5.956 1.00 0.00 C ATOM 0 H LEU A 43 1.863 -2.146 7.188 1.00 0.00 H new ATOM 0 HA LEU A 43 0.233 -2.001 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.712 -0.376 6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.795 0.323 5.730 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.038 0.698 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.367 0.225 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.396 -1.262 4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.800 -0.587 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.327 2.340 5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.709 1.608 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.411 2.412 5.880 1.00 0.00 H new ATOM 689 N VAL A 44 1.957 -2.168 3.082 1.00 0.00 N ATOM 690 CA VAL A 44 2.872 -2.304 1.955 1.00 0.00 C ATOM 691 C VAL A 44 4.044 -1.340 1.991 1.00 0.00 C ATOM 692 O VAL A 44 5.191 -1.750 2.172 1.00 0.00 O ATOM 693 CB VAL A 44 2.114 -2.139 0.633 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.840 -3.497 0.018 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.817 -1.380 0.859 1.00 0.00 C ATOM 0 H VAL A 44 1.023 -2.527 2.885 1.00 0.00 H new ATOM 0 HA VAL A 44 3.292 -3.307 2.034 1.00 0.00 H new ATOM 0 HB VAL A 44 2.730 -1.564 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.301 -3.369 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.784 -4.008 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.237 -4.092 0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.290 -1.271 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.191 -1.930 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.039 -0.394 1.267 1.00 0.00 H new ATOM 705 N SER A 45 3.755 -0.070 1.786 1.00 0.00 N ATOM 706 CA SER A 45 4.795 0.954 1.763 1.00 0.00 C ATOM 707 C SER A 45 5.737 0.691 0.598 1.00 0.00 C ATOM 708 O SER A 45 6.958 0.681 0.753 1.00 0.00 O ATOM 709 CB SER A 45 5.573 0.966 3.080 1.00 0.00 C ATOM 710 OG SER A 45 6.082 2.257 3.356 1.00 0.00 O ATOM 0 H SER A 45 2.810 0.283 1.632 1.00 0.00 H new ATOM 0 HA SER A 45 4.327 1.930 1.638 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.922 0.646 3.894 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.394 0.251 3.028 1.00 0.00 H new ATOM 0 HG SER A 45 7.025 2.189 3.615 1.00 0.00 H new ATOM 716 N ILE A 46 5.139 0.457 -0.564 1.00 0.00 N ATOM 717 CA ILE A 46 5.878 0.163 -1.789 1.00 0.00 C ATOM 718 C ILE A 46 7.108 1.049 -1.940 1.00 0.00 C ATOM 719 O ILE A 46 7.064 2.248 -1.666 1.00 0.00 O ATOM 720 CB ILE A 46 4.987 0.320 -3.040 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.643 0.958 -2.677 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.770 -1.032 -3.700 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.746 1.201 -3.868 1.00 0.00 C ATOM 0 H ILE A 46 4.126 0.465 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 46 6.201 -0.875 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 46 5.496 0.979 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.124 0.313 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.825 1.906 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.140 -0.910 -4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.732 -1.451 -3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.282 -1.706 -2.996 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.813 1.654 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.245 1.871 -4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.532 0.253 -4.362 1.00 0.00 H new ATOM 735 N HIS A 47 8.206 0.442 -2.381 1.00 0.00 N ATOM 736 CA HIS A 47 9.458 1.162 -2.575 1.00 0.00 C ATOM 737 C HIS A 47 10.092 0.796 -3.912 1.00 0.00 C ATOM 738 O HIS A 47 11.163 1.294 -4.260 1.00 0.00 O ATOM 739 CB HIS A 47 10.431 0.854 -1.435 1.00 0.00 C ATOM 740 CG HIS A 47 10.457 -0.590 -1.041 1.00 0.00 C ATOM 741 ND1 HIS A 47 10.453 -1.622 -1.957 1.00 0.00 N ATOM 742 CD2 HIS A 47 10.490 -1.174 0.180 1.00 0.00 C ATOM 743 CE1 HIS A 47 10.481 -2.777 -1.316 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.505 -2.532 -0.019 1.00 0.00 N ATOM 0 H HIS A 47 8.253 -0.551 -2.611 1.00 0.00 H new ATOM 0 HA HIS A 47 9.238 2.230 -2.576 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.434 1.158 -1.733 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.161 1.454 -0.566 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.502 -0.666 1.133 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.484 -3.755 -1.775 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.531 -3.238 0.717 1.00 0.00 H new ATOM 753 N SER A 48 9.422 -0.074 -4.663 1.00 0.00 N ATOM 754 CA SER A 48 9.914 -0.501 -5.962 1.00 0.00 C ATOM 755 C SER A 48 8.933 -0.100 -7.051 1.00 0.00 C ATOM 756 O SER A 48 7.763 -0.476 -7.007 1.00 0.00 O ATOM 757 CB SER A 48 10.129 -2.015 -5.981 1.00 0.00 C ATOM 758 OG SER A 48 11.235 -2.364 -6.795 1.00 0.00 O ATOM 0 H SER A 48 8.535 -0.496 -4.390 1.00 0.00 H new ATOM 0 HA SER A 48 10.870 -0.011 -6.149 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.294 -2.375 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.231 -2.508 -6.352 1.00 0.00 H new ATOM 0 HG SER A 48 11.352 -3.337 -6.789 1.00 0.00 H new ATOM 764 N PRO A 49 9.394 0.675 -8.048 1.00 0.00 N ATOM 765 CA PRO A 49 8.543 1.122 -9.149 1.00 0.00 C ATOM 766 C PRO A 49 7.694 -0.017 -9.700 1.00 0.00 C ATOM 767 O PRO A 49 6.584 0.199 -10.184 1.00 0.00 O ATOM 768 CB PRO A 49 9.548 1.607 -10.192 1.00 0.00 C ATOM 769 CG PRO A 49 10.717 2.071 -9.391 1.00 0.00 C ATOM 770 CD PRO A 49 10.779 1.174 -8.183 1.00 0.00 C ATOM 0 HA PRO A 49 7.831 1.889 -8.845 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.828 0.807 -10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.135 2.414 -10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.637 2.007 -9.972 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.598 3.114 -9.096 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.487 0.358 -8.326 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.097 1.720 -7.295 1.00 0.00 H new ATOM 778 N GLU A 50 8.224 -1.233 -9.607 1.00 0.00 N ATOM 779 CA GLU A 50 7.519 -2.413 -10.081 1.00 0.00 C ATOM 780 C GLU A 50 6.377 -2.780 -9.146 1.00 0.00 C ATOM 781 O GLU A 50 5.268 -3.067 -9.590 1.00 0.00 O ATOM 782 CB GLU A 50 8.475 -3.597 -10.203 1.00 0.00 C ATOM 783 CG GLU A 50 7.785 -4.895 -10.571 1.00 0.00 C ATOM 784 CD GLU A 50 8.641 -6.113 -10.287 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.767 -6.186 -10.821 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.184 -6.995 -9.529 1.00 0.00 O ATOM 0 H GLU A 50 9.142 -1.424 -9.206 1.00 0.00 H new ATOM 0 HA GLU A 50 7.108 -2.179 -11.063 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.229 -3.369 -10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.000 -3.729 -9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.851 -4.975 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.526 -4.877 -11.630 1.00 0.00 H new ATOM 793 N GLU A 51 6.663 -2.780 -7.850 1.00 0.00 N ATOM 794 CA GLU A 51 5.663 -3.126 -6.853 1.00 0.00 C ATOM 795 C GLU A 51 4.532 -2.106 -6.846 1.00 0.00 C ATOM 796 O GLU A 51 3.358 -2.470 -6.782 1.00 0.00 O ATOM 797 CB GLU A 51 6.306 -3.223 -5.469 1.00 0.00 C ATOM 798 CG GLU A 51 7.457 -4.215 -5.401 1.00 0.00 C ATOM 799 CD GLU A 51 8.016 -4.364 -4.000 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.061 -3.353 -3.268 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.409 -5.492 -3.635 1.00 0.00 O ATOM 0 H GLU A 51 7.579 -2.544 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 51 5.242 -4.098 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.669 -2.238 -5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.545 -3.511 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.116 -5.187 -5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.252 -3.890 -6.073 1.00 0.00 H new ATOM 808 N GLN A 52 4.890 -0.828 -6.927 1.00 0.00 N ATOM 809 CA GLN A 52 3.894 0.238 -6.945 1.00 0.00 C ATOM 810 C GLN A 52 3.062 0.149 -8.217 1.00 0.00 C ATOM 811 O GLN A 52 1.846 0.322 -8.189 1.00 0.00 O ATOM 812 CB GLN A 52 4.570 1.613 -6.828 1.00 0.00 C ATOM 813 CG GLN A 52 4.871 2.278 -8.164 1.00 0.00 C ATOM 814 CD GLN A 52 3.878 3.370 -8.523 1.00 0.00 C ATOM 815 OE1 GLN A 52 4.181 4.260 -9.320 1.00 0.00 O ATOM 816 NE2 GLN A 52 2.685 3.315 -7.938 1.00 0.00 N ATOM 0 H GLN A 52 5.857 -0.507 -6.981 1.00 0.00 H new ATOM 0 HA GLN A 52 3.232 0.117 -6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.928 2.272 -6.244 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.501 1.501 -6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.874 2.703 -8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.869 1.521 -8.948 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.472 2.562 -7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.983 4.026 -8.144 1.00 0.00 H new ATOM 825 N ASP A 53 3.728 -0.149 -9.325 1.00 0.00 N ATOM 826 CA ASP A 53 3.064 -0.295 -10.609 1.00 0.00 C ATOM 827 C ASP A 53 2.185 -1.536 -10.592 1.00 0.00 C ATOM 828 O ASP A 53 1.128 -1.576 -11.219 1.00 0.00 O ATOM 829 CB ASP A 53 4.092 -0.394 -11.738 1.00 0.00 C ATOM 830 CG ASP A 53 3.484 -0.121 -13.100 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.617 0.773 -13.195 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.875 -0.801 -14.072 1.00 0.00 O ATOM 0 H ASP A 53 4.737 -0.295 -9.357 1.00 0.00 H new ATOM 0 HA ASP A 53 2.444 0.584 -10.786 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.898 0.316 -11.554 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.536 -1.389 -11.735 1.00 0.00 H new ATOM 837 N PHE A 54 2.654 -2.557 -9.882 1.00 0.00 N ATOM 838 CA PHE A 54 1.950 -3.820 -9.780 1.00 0.00 C ATOM 839 C PHE A 54 0.566 -3.640 -9.172 1.00 0.00 C ATOM 840 O PHE A 54 -0.432 -4.082 -9.740 1.00 0.00 O ATOM 841 CB PHE A 54 2.769 -4.767 -8.910 1.00 0.00 C ATOM 842 CG PHE A 54 3.232 -5.997 -9.627 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.371 -7.062 -9.821 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.527 -6.087 -10.102 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.793 -8.197 -10.479 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.959 -7.220 -10.762 1.00 0.00 C ATOM 847 CZ PHE A 54 4.090 -8.279 -10.952 1.00 0.00 C ATOM 0 H PHE A 54 3.532 -2.527 -9.364 1.00 0.00 H new ATOM 0 HA PHE A 54 1.823 -4.230 -10.782 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.638 -4.233 -8.526 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.171 -5.063 -8.049 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.357 -7.003 -9.453 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.208 -5.262 -9.955 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.111 -9.022 -10.625 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.973 -7.279 -11.129 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.423 -9.167 -11.468 1.00 0.00 H new ATOM 857 N LEU A 55 0.510 -2.974 -8.028 1.00 0.00 N ATOM 858 CA LEU A 55 -0.759 -2.720 -7.366 1.00 0.00 C ATOM 859 C LEU A 55 -1.523 -1.641 -8.111 1.00 0.00 C ATOM 860 O LEU A 55 -2.750 -1.665 -8.182 1.00 0.00 O ATOM 861 CB LEU A 55 -0.546 -2.304 -5.917 1.00 0.00 C ATOM 862 CG LEU A 55 0.699 -1.470 -5.670 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.349 0.003 -5.710 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.330 -1.846 -4.342 1.00 0.00 C ATOM 0 H LEU A 55 1.325 -2.601 -7.541 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.340 -3.643 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.417 -1.739 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.494 -3.201 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 55 1.427 -1.671 -6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.247 0.595 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.063 0.253 -6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.389 0.223 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.221 -1.240 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.617 -1.668 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.605 -2.901 -4.356 1.00 0.00 H new ATOM 876 N THR A 56 -0.775 -0.697 -8.670 1.00 0.00 N ATOM 877 CA THR A 56 -1.357 0.398 -9.423 1.00 0.00 C ATOM 878 C THR A 56 -2.132 -0.161 -10.607 1.00 0.00 C ATOM 879 O THR A 56 -3.222 0.308 -10.933 1.00 0.00 O ATOM 880 CB THR A 56 -0.252 1.358 -9.887 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.315 2.580 -9.176 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.298 1.692 -11.362 1.00 0.00 C ATOM 0 H THR A 56 0.243 -0.672 -8.613 1.00 0.00 H new ATOM 0 HA THR A 56 -2.046 0.958 -8.791 1.00 0.00 H new ATOM 0 HB THR A 56 0.676 0.822 -9.688 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.762 3.256 -9.727 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.516 2.375 -11.606 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.192 0.778 -11.946 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.251 2.165 -11.598 1.00 0.00 H new ATOM 890 N LYS A 57 -1.568 -1.193 -11.223 1.00 0.00 N ATOM 891 CA LYS A 57 -2.206 -1.852 -12.346 1.00 0.00 C ATOM 892 C LYS A 57 -3.346 -2.715 -11.829 1.00 0.00 C ATOM 893 O LYS A 57 -4.388 -2.847 -12.471 1.00 0.00 O ATOM 894 CB LYS A 57 -1.198 -2.711 -13.113 1.00 0.00 C ATOM 895 CG LYS A 57 -0.559 -1.991 -14.290 1.00 0.00 C ATOM 896 CD LYS A 57 0.228 -2.952 -15.167 1.00 0.00 C ATOM 897 CE LYS A 57 1.674 -3.067 -14.708 1.00 0.00 C ATOM 898 NZ LYS A 57 2.325 -4.301 -15.228 1.00 0.00 N ATOM 0 H LYS A 57 -0.666 -1.590 -10.959 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.596 -1.099 -13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.415 -3.037 -12.428 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.699 -3.609 -13.475 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.332 -1.504 -14.884 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.102 -1.206 -13.923 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.242 -3.935 -15.144 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.199 -2.609 -16.201 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.232 -2.193 -15.044 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.710 -3.069 -13.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.309 -4.342 -14.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.808 -5.136 -14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.314 -4.288 -16.268 1.00 0.00 H new ATOM 912 N HIS A 58 -3.136 -3.286 -10.645 1.00 0.00 N ATOM 913 CA HIS A 58 -4.141 -4.124 -10.012 1.00 0.00 C ATOM 914 C HIS A 58 -5.369 -3.295 -9.653 1.00 0.00 C ATOM 915 O HIS A 58 -6.493 -3.796 -9.666 1.00 0.00 O ATOM 916 CB HIS A 58 -3.571 -4.783 -8.754 1.00 0.00 C ATOM 917 CG HIS A 58 -4.358 -5.969 -8.295 1.00 0.00 C ATOM 918 ND1 HIS A 58 -4.318 -7.192 -8.934 1.00 0.00 N ATOM 919 CD2 HIS A 58 -5.212 -6.119 -7.255 1.00 0.00 C ATOM 920 CE1 HIS A 58 -5.114 -8.040 -8.307 1.00 0.00 C ATOM 921 NE2 HIS A 58 -5.668 -7.415 -7.284 1.00 0.00 N ATOM 0 H HIS A 58 -2.276 -3.181 -10.107 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.433 -4.904 -10.715 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.544 -5.091 -8.948 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.536 -4.047 -7.951 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.761 -7.407 -9.761 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.484 -5.361 -6.536 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.283 -9.070 -8.584 1.00 0.00 H new ATOM 930 N ALA A 59 -5.146 -2.019 -9.336 1.00 0.00 N ATOM 931 CA ALA A 59 -6.235 -1.122 -8.980 1.00 0.00 C ATOM 932 C ALA A 59 -6.817 -0.448 -10.218 1.00 0.00 C ATOM 933 O ALA A 59 -6.145 0.345 -10.877 1.00 0.00 O ATOM 934 CB ALA A 59 -5.758 -0.079 -7.982 1.00 0.00 C ATOM 0 H ALA A 59 -4.222 -1.588 -9.320 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.024 -1.715 -8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.584 0.584 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.398 -0.575 -7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.949 0.503 -8.423 1.00 0.00 H new ATOM 940 N SER A 60 -8.069 -0.773 -10.529 1.00 0.00 N ATOM 941 CA SER A 60 -8.743 -0.202 -11.691 1.00 0.00 C ATOM 942 C SER A 60 -8.840 1.317 -11.577 1.00 0.00 C ATOM 943 O SER A 60 -8.060 2.046 -12.192 1.00 0.00 O ATOM 944 CB SER A 60 -10.139 -0.805 -11.844 1.00 0.00 C ATOM 945 OG SER A 60 -10.683 -1.162 -10.585 1.00 0.00 O ATOM 0 H SER A 60 -8.637 -1.429 -9.993 1.00 0.00 H new ATOM 0 HA SER A 60 -8.152 -0.442 -12.575 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.796 -0.088 -12.337 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.090 -1.685 -12.485 1.00 0.00 H new ATOM 0 HG SER A 60 -11.577 -1.544 -10.711 1.00 0.00 H new ATOM 951 N HIS A 61 -9.802 1.787 -10.790 1.00 0.00 N ATOM 952 CA HIS A 61 -10.002 3.219 -10.598 1.00 0.00 C ATOM 953 C HIS A 61 -10.351 3.531 -9.147 1.00 0.00 C ATOM 954 O HIS A 61 -11.084 4.479 -8.863 1.00 0.00 O ATOM 955 CB HIS A 61 -11.111 3.727 -11.523 1.00 0.00 C ATOM 956 CG HIS A 61 -10.894 5.129 -12.004 1.00 0.00 C ATOM 957 ND1 HIS A 61 -9.685 5.581 -12.485 1.00 0.00 N ATOM 958 CD2 HIS A 61 -11.744 6.181 -12.076 1.00 0.00 C ATOM 959 CE1 HIS A 61 -9.798 6.851 -12.833 1.00 0.00 C ATOM 960 NE2 HIS A 61 -11.038 7.239 -12.595 1.00 0.00 N ATOM 0 H HIS A 61 -10.455 1.197 -10.275 1.00 0.00 H new ATOM 0 HA HIS A 61 -9.070 3.728 -10.844 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -11.187 3.064 -12.385 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -12.064 3.676 -10.997 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -12.783 6.187 -11.781 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.011 7.467 -13.242 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -11.411 8.172 -12.768 1.00 0.00 H new ATOM 969 N THR A 62 -9.822 2.727 -8.230 1.00 0.00 N ATOM 970 CA THR A 62 -10.077 2.916 -6.807 1.00 0.00 C ATOM 971 C THR A 62 -8.809 3.350 -6.079 1.00 0.00 C ATOM 972 O THR A 62 -8.799 4.364 -5.381 1.00 0.00 O ATOM 973 CB THR A 62 -10.618 1.626 -6.189 1.00 0.00 C ATOM 974 OG1 THR A 62 -9.991 0.494 -6.764 1.00 0.00 O ATOM 975 CG2 THR A 62 -12.112 1.460 -6.361 1.00 0.00 C ATOM 0 H THR A 62 -9.214 1.938 -8.448 1.00 0.00 H new ATOM 0 HA THR A 62 -10.823 3.703 -6.699 1.00 0.00 H new ATOM 0 HB THR A 62 -10.398 1.702 -5.124 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.349 -0.321 -6.355 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.430 0.525 -5.900 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.628 2.293 -5.884 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.356 1.442 -7.423 1.00 0.00 H new ATOM 983 N GLY A 63 -7.743 2.574 -6.247 1.00 0.00 N ATOM 984 CA GLY A 63 -6.483 2.892 -5.601 1.00 0.00 C ATOM 985 C GLY A 63 -6.183 1.974 -4.434 1.00 0.00 C ATOM 986 O GLY A 63 -7.088 1.363 -3.870 1.00 0.00 O ATOM 0 H GLY A 63 -7.729 1.730 -6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.676 2.823 -6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.508 3.924 -5.251 1.00 0.00 H new ATOM 990 N SER A 64 -4.908 1.879 -4.072 1.00 0.00 N ATOM 991 CA SER A 64 -4.481 1.028 -2.964 1.00 0.00 C ATOM 992 C SER A 64 -3.855 1.861 -1.852 1.00 0.00 C ATOM 993 O SER A 64 -3.453 3.003 -2.073 1.00 0.00 O ATOM 994 CB SER A 64 -3.483 -0.021 -3.460 1.00 0.00 C ATOM 995 OG SER A 64 -2.285 0.016 -2.704 1.00 0.00 O ATOM 0 H SER A 64 -4.149 2.382 -4.531 1.00 0.00 H new ATOM 0 HA SER A 64 -5.359 0.522 -2.562 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.929 -1.013 -3.391 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.258 0.155 -4.512 1.00 0.00 H new ATOM 0 HG SER A 64 -1.665 -0.665 -3.040 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.760 1.285 -0.655 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.171 1.995 0.476 1.00 0.00 C ATOM 1003 C TRP A 65 -1.775 1.476 0.759 1.00 0.00 C ATOM 1004 O TRP A 65 -1.546 0.269 0.810 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.047 1.868 1.722 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.145 2.884 1.766 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.007 4.229 1.953 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.546 2.640 1.610 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.238 4.837 1.926 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.200 3.882 1.714 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.313 1.493 1.392 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.583 4.005 1.606 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.685 1.617 1.285 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.307 2.866 1.392 1.00 0.00 C ATOM 0 H TRP A 65 -4.080 0.339 -0.445 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.106 3.051 0.213 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.481 0.869 1.755 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.424 1.974 2.610 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.067 4.740 2.101 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.409 5.836 2.044 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.841 0.525 1.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.067 4.967 1.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.287 0.736 1.116 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.381 2.931 1.304 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.842 2.401 0.928 1.00 0.00 N ATOM 1026 CA ILE A 66 0.540 2.050 1.189 1.00 0.00 C ATOM 1027 C ILE A 66 0.957 2.426 2.602 1.00 0.00 C ATOM 1028 O ILE A 66 0.259 3.161 3.297 1.00 0.00 O ATOM 1029 CB ILE A 66 1.488 2.718 0.179 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.766 4.167 0.586 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.889 2.649 -1.220 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.294 5.024 -0.541 1.00 0.00 C ATOM 0 H ILE A 66 -1.021 3.404 0.888 1.00 0.00 H new ATOM 0 HA ILE A 66 0.613 0.968 1.081 1.00 0.00 H new ATOM 0 HB ILE A 66 2.437 2.182 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.846 4.611 0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.487 4.173 1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.566 3.124 -1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.741 1.606 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.070 3.167 -1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.467 6.037 -0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.231 4.605 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.565 5.049 -1.351 1.00 0.00 H new ATOM 1044 N GLY A 67 2.101 1.902 3.013 1.00 0.00 N ATOM 1045 CA GLY A 67 2.621 2.166 4.337 1.00 0.00 C ATOM 1046 C GLY A 67 3.252 3.535 4.461 1.00 0.00 C ATOM 1047 O GLY A 67 4.411 3.655 4.857 1.00 0.00 O ATOM 0 H GLY A 67 2.686 1.290 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.813 2.077 5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.361 1.406 4.589 1.00 0.00 H new ATOM 1051 N LEU A 68 2.494 4.569 4.126 1.00 0.00 N ATOM 1052 CA LEU A 68 2.998 5.933 4.208 1.00 0.00 C ATOM 1053 C LEU A 68 2.120 6.817 5.085 1.00 0.00 C ATOM 1054 O LEU A 68 0.914 6.938 4.869 1.00 0.00 O ATOM 1055 CB LEU A 68 3.102 6.549 2.811 1.00 0.00 C ATOM 1056 CG LEU A 68 4.012 7.778 2.705 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.380 8.983 3.385 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.374 7.486 3.304 1.00 0.00 C ATOM 0 H LEU A 68 1.532 4.491 3.796 1.00 0.00 H new ATOM 0 HA LEU A 68 3.987 5.880 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.466 5.787 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.102 6.828 2.479 1.00 0.00 H new ATOM 0 HG LEU A 68 4.141 8.012 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.045 9.842 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.427 9.211 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.214 8.761 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.006 8.370 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.260 7.221 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.837 6.657 2.769 1.00 0.00 H new ATOM 1070 N ARG A 69 2.761 7.464 6.049 1.00 0.00 N ATOM 1071 CA ARG A 69 2.094 8.387 6.955 1.00 0.00 C ATOM 1072 C ARG A 69 2.987 9.606 7.183 1.00 0.00 C ATOM 1073 O ARG A 69 4.115 9.470 7.653 1.00 0.00 O ATOM 1074 CB ARG A 69 1.769 7.693 8.282 1.00 0.00 C ATOM 1075 CG ARG A 69 1.738 8.630 9.481 1.00 0.00 C ATOM 1076 CD ARG A 69 2.941 8.416 10.386 1.00 0.00 C ATOM 1077 NE ARG A 69 2.838 9.187 11.623 1.00 0.00 N ATOM 1078 CZ ARG A 69 3.551 8.928 12.714 1.00 0.00 C ATOM 1079 NH1 ARG A 69 4.418 7.924 12.721 1.00 0.00 N ATOM 1080 NH2 ARG A 69 3.399 9.673 13.801 1.00 0.00 N ATOM 0 H ARG A 69 3.761 7.363 6.225 1.00 0.00 H new ATOM 0 HA ARG A 69 1.154 8.715 6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.801 7.200 8.194 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.509 6.913 8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.720 9.664 9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.821 8.467 10.048 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.031 7.356 10.625 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.849 8.701 9.855 1.00 0.00 H new ATOM 0 HE ARG A 69 2.182 9.968 11.651 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.539 7.349 11.888 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.964 7.727 13.560 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.734 10.446 13.800 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.947 9.473 14.637 1.00 0.00 H new ATOM 1094 N ASN A 70 2.491 10.792 6.852 1.00 0.00 N ATOM 1095 CA ASN A 70 3.275 12.010 7.029 1.00 0.00 C ATOM 1096 C ASN A 70 3.020 12.624 8.400 1.00 0.00 C ATOM 1097 O ASN A 70 1.984 12.382 9.017 1.00 0.00 O ATOM 1098 CB ASN A 70 2.961 13.017 5.915 1.00 0.00 C ATOM 1099 CG ASN A 70 2.587 14.391 6.443 1.00 0.00 C ATOM 1100 OD1 ASN A 70 1.411 14.743 6.512 1.00 0.00 O ATOM 1101 ND2 ASN A 70 3.592 15.176 6.812 1.00 0.00 N ATOM 0 H ASN A 70 1.559 10.937 6.463 1.00 0.00 H new ATOM 0 HA ASN A 70 4.332 11.749 6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.828 13.109 5.261 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.142 12.633 5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.403 16.112 7.170 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.553 14.843 6.738 1.00 0.00 H new ATOM 1108 N LEU A 71 3.976 13.416 8.875 1.00 0.00 N ATOM 1109 CA LEU A 71 3.856 14.061 10.178 1.00 0.00 C ATOM 1110 C LEU A 71 2.795 15.156 10.142 1.00 0.00 C ATOM 1111 O LEU A 71 3.118 16.337 10.012 1.00 0.00 O ATOM 1112 CB LEU A 71 5.202 14.648 10.607 1.00 0.00 C ATOM 1113 CG LEU A 71 6.105 13.689 11.386 1.00 0.00 C ATOM 1114 CD1 LEU A 71 7.498 13.654 10.777 1.00 0.00 C ATOM 1115 CD2 LEU A 71 6.172 14.093 12.852 1.00 0.00 C ATOM 0 H LEU A 71 4.841 13.626 8.378 1.00 0.00 H new ATOM 0 HA LEU A 71 3.552 13.308 10.905 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.735 14.984 9.718 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.018 15.530 11.221 1.00 0.00 H new ATOM 0 HG LEU A 71 5.679 12.688 11.324 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.126 12.967 11.344 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.434 13.317 9.742 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.934 14.653 10.807 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.818 13.400 13.391 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.574 15.103 12.933 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.171 14.066 13.283 1.00 0.00 H new ATOM 1127 N ASP A 72 1.531 14.751 10.252 1.00 0.00 N ATOM 1128 CA ASP A 72 0.412 15.690 10.228 1.00 0.00 C ATOM 1129 C ASP A 72 0.335 16.405 8.882 1.00 0.00 C ATOM 1130 O ASP A 72 -0.452 16.029 8.013 1.00 0.00 O ATOM 1131 CB ASP A 72 0.542 16.713 11.359 1.00 0.00 C ATOM 1132 CG ASP A 72 0.300 16.099 12.724 1.00 0.00 C ATOM 1133 OD1 ASP A 72 1.093 15.227 13.133 1.00 0.00 O ATOM 1134 OD2 ASP A 72 -0.684 16.493 13.385 1.00 0.00 O ATOM 0 H ASP A 72 1.256 13.775 10.359 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.507 15.122 10.373 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.538 17.154 11.333 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.169 17.523 11.196 1.00 0.00 H new ATOM 1139 N LEU A 73 1.159 17.433 8.716 1.00 0.00 N ATOM 1140 CA LEU A 73 1.192 18.202 7.479 1.00 0.00 C ATOM 1141 C LEU A 73 2.466 19.039 7.404 1.00 0.00 C ATOM 1142 O LEU A 73 2.481 20.114 6.804 1.00 0.00 O ATOM 1143 CB LEU A 73 -0.037 19.108 7.384 1.00 0.00 C ATOM 1144 CG LEU A 73 -0.466 19.760 8.701 1.00 0.00 C ATOM 1145 CD1 LEU A 73 -0.724 21.245 8.503 1.00 0.00 C ATOM 1146 CD2 LEU A 73 -1.705 19.073 9.255 1.00 0.00 C ATOM 0 H LEU A 73 1.816 17.754 9.427 1.00 0.00 H new ATOM 0 HA LEU A 73 1.182 17.506 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.166 19.894 6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.871 18.523 6.997 1.00 0.00 H new ATOM 0 HG LEU A 73 0.344 19.646 9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.028 21.691 9.450 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.187 21.729 8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.516 21.382 7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.997 19.549 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.520 19.157 8.536 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.487 18.020 9.435 1.00 0.00 H new ATOM 1158 N LYS A 74 3.532 18.541 8.027 1.00 0.00 N ATOM 1159 CA LYS A 74 4.810 19.245 8.040 1.00 0.00 C ATOM 1160 C LYS A 74 5.533 19.107 6.704 1.00 0.00 C ATOM 1161 O LYS A 74 6.431 19.889 6.391 1.00 0.00 O ATOM 1162 CB LYS A 74 5.697 18.713 9.167 1.00 0.00 C ATOM 1163 CG LYS A 74 5.214 19.097 10.556 1.00 0.00 C ATOM 1164 CD LYS A 74 6.347 19.064 11.569 1.00 0.00 C ATOM 1165 CE LYS A 74 5.824 19.132 12.994 1.00 0.00 C ATOM 1166 NZ LYS A 74 6.921 19.009 13.995 1.00 0.00 N ATOM 0 H LYS A 74 3.535 17.653 8.529 1.00 0.00 H new ATOM 0 HA LYS A 74 4.606 20.302 8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.747 17.626 9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.711 19.088 9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.779 20.096 10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.424 18.414 10.869 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.928 18.151 11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.022 19.900 11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.300 20.076 13.144 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.097 18.335 13.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.523 19.060 14.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.405 18.097 13.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.602 19.784 13.861 1.00 0.00 H new ATOM 1180 N GLY A 75 5.133 18.114 5.915 1.00 0.00 N ATOM 1181 CA GLY A 75 5.753 17.905 4.620 1.00 0.00 C ATOM 1182 C GLY A 75 6.689 16.710 4.595 1.00 0.00 C ATOM 1183 O GLY A 75 7.218 16.356 3.542 1.00 0.00 O ATOM 0 H GLY A 75 4.393 17.452 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.975 17.766 3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.309 18.800 4.341 1.00 0.00 H new ATOM 1187 N GLU A 76 6.895 16.082 5.751 1.00 0.00 N ATOM 1188 CA GLU A 76 7.773 14.920 5.834 1.00 0.00 C ATOM 1189 C GLU A 76 6.952 13.640 5.918 1.00 0.00 C ATOM 1190 O GLU A 76 6.106 13.492 6.800 1.00 0.00 O ATOM 1191 CB GLU A 76 8.697 15.029 7.050 1.00 0.00 C ATOM 1192 CG GLU A 76 8.972 16.461 7.483 1.00 0.00 C ATOM 1193 CD GLU A 76 10.139 17.080 6.739 1.00 0.00 C ATOM 1194 OE1 GLU A 76 10.038 17.242 5.505 1.00 0.00 O ATOM 1195 OE2 GLU A 76 11.155 17.403 7.391 1.00 0.00 O ATOM 0 H GLU A 76 6.469 16.357 6.636 1.00 0.00 H new ATOM 0 HA GLU A 76 8.385 14.889 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.251 14.486 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.644 14.540 6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.079 17.064 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.177 16.480 8.553 1.00 0.00 H new ATOM 1202 N PHE A 77 7.196 12.719 4.990 1.00 0.00 N ATOM 1203 CA PHE A 77 6.467 11.464 4.958 1.00 0.00 C ATOM 1204 C PHE A 77 7.289 10.342 5.579 1.00 0.00 C ATOM 1205 O PHE A 77 8.460 10.153 5.248 1.00 0.00 O ATOM 1206 CB PHE A 77 6.080 11.087 3.520 1.00 0.00 C ATOM 1207 CG PHE A 77 5.627 12.238 2.651 1.00 0.00 C ATOM 1208 CD1 PHE A 77 5.362 13.489 3.189 1.00 0.00 C ATOM 1209 CD2 PHE A 77 5.479 12.061 1.283 1.00 0.00 C ATOM 1210 CE1 PHE A 77 4.966 14.539 2.385 1.00 0.00 C ATOM 1211 CE2 PHE A 77 5.080 13.109 0.475 1.00 0.00 C ATOM 1212 CZ PHE A 77 4.826 14.349 1.026 1.00 0.00 C ATOM 0 H PHE A 77 7.893 12.822 4.253 1.00 0.00 H new ATOM 0 HA PHE A 77 5.556 11.599 5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.936 10.609 3.044 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.282 10.346 3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.467 13.644 4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.678 11.094 0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.766 15.507 2.819 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.967 12.958 -0.588 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.518 15.169 0.394 1.00 0.00 H new ATOM 1222 N ILE A 78 6.663 9.604 6.482 1.00 0.00 N ATOM 1223 CA ILE A 78 7.311 8.497 7.163 1.00 0.00 C ATOM 1224 C ILE A 78 6.497 7.218 6.996 1.00 0.00 C ATOM 1225 O ILE A 78 5.271 7.247 7.033 1.00 0.00 O ATOM 1226 CB ILE A 78 7.500 8.811 8.660 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.928 9.324 8.902 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.181 7.589 9.518 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.723 8.537 9.927 1.00 0.00 C ATOM 0 H ILE A 78 5.694 9.756 6.762 1.00 0.00 H new ATOM 0 HA ILE A 78 8.293 8.351 6.713 1.00 0.00 H new ATOM 0 HB ILE A 78 6.801 9.594 8.954 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.469 9.311 7.956 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.875 10.364 9.224 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.322 7.836 10.570 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.147 7.287 9.352 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.846 6.770 9.246 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.717 8.973 10.030 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.211 8.571 10.889 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.813 7.501 9.600 1.00 0.00 H new ATOM 1241 N TRP A 79 7.182 6.097 6.811 1.00 0.00 N ATOM 1242 CA TRP A 79 6.502 4.819 6.633 1.00 0.00 C ATOM 1243 C TRP A 79 5.946 4.313 7.958 1.00 0.00 C ATOM 1244 O TRP A 79 6.487 4.605 9.024 1.00 0.00 O ATOM 1245 CB TRP A 79 7.461 3.773 6.051 1.00 0.00 C ATOM 1246 CG TRP A 79 7.980 4.109 4.683 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.684 5.212 3.934 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.893 3.328 3.902 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.355 5.165 2.737 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.104 4.019 2.693 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.553 2.114 4.107 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.946 3.534 1.695 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.389 1.634 3.116 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.579 2.342 1.924 1.00 0.00 C ATOM 0 H TRP A 79 8.200 6.045 6.780 1.00 0.00 H new ATOM 0 HA TRP A 79 5.677 4.976 5.938 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.306 3.654 6.729 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.949 2.812 6.007 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.019 6.006 4.239 1.00 0.00 H new ATOM 0 HE1 TRP A 79 8.304 5.869 2.001 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.413 1.560 5.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.094 4.078 0.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.904 0.697 3.264 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.239 1.940 1.169 1.00 0.00 H new ATOM 1265 N VAL A 80 4.860 3.551 7.879 1.00 0.00 N ATOM 1266 CA VAL A 80 4.222 2.990 9.066 1.00 0.00 C ATOM 1267 C VAL A 80 5.201 2.104 9.830 1.00 0.00 C ATOM 1268 O VAL A 80 5.079 1.918 11.042 1.00 0.00 O ATOM 1269 CB VAL A 80 2.972 2.165 8.685 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.204 1.429 7.381 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.589 1.193 9.795 1.00 0.00 C ATOM 0 H VAL A 80 4.401 3.307 7.001 1.00 0.00 H new ATOM 0 HA VAL A 80 3.915 3.821 9.702 1.00 0.00 H new ATOM 0 HB VAL A 80 2.139 2.856 8.551 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.315 0.852 7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.410 2.149 6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.054 0.756 7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.706 0.628 9.495 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.415 0.506 9.978 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.372 1.749 10.707 1.00 0.00 H new ATOM 1281 N ASP A 81 6.179 1.568 9.108 1.00 0.00 N ATOM 1282 CA ASP A 81 7.190 0.704 9.705 1.00 0.00 C ATOM 1283 C ASP A 81 8.220 1.530 10.465 1.00 0.00 C ATOM 1284 O ASP A 81 9.140 0.988 11.077 1.00 0.00 O ATOM 1285 CB ASP A 81 7.880 -0.125 8.623 1.00 0.00 C ATOM 1286 CG ASP A 81 8.573 -1.350 9.187 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.874 -2.228 9.737 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.814 -1.434 9.077 1.00 0.00 O ATOM 0 H ASP A 81 6.293 1.717 8.105 1.00 0.00 H new ATOM 0 HA ASP A 81 6.697 0.032 10.407 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.143 -0.436 7.883 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.611 0.496 8.104 1.00 0.00 H new ATOM 1293 N GLY A 82 8.052 2.847 10.422 1.00 0.00 N ATOM 1294 CA GLY A 82 8.962 3.737 11.111 1.00 0.00 C ATOM 1295 C GLY A 82 10.223 4.018 10.318 1.00 0.00 C ATOM 1296 O GLY A 82 11.320 4.040 10.877 1.00 0.00 O ATOM 0 H GLY A 82 7.297 3.314 9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.453 4.678 11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.233 3.300 12.072 1.00 0.00 H new ATOM 1300 N SER A 83 10.072 4.236 9.014 1.00 0.00 N ATOM 1301 CA SER A 83 11.217 4.517 8.155 1.00 0.00 C ATOM 1302 C SER A 83 10.877 5.576 7.108 1.00 0.00 C ATOM 1303 O SER A 83 9.946 5.406 6.324 1.00 0.00 O ATOM 1304 CB SER A 83 11.690 3.237 7.465 1.00 0.00 C ATOM 1305 OG SER A 83 13.086 3.056 7.630 1.00 0.00 O ATOM 0 H SER A 83 9.173 4.223 8.532 1.00 0.00 H new ATOM 0 HA SER A 83 12.019 4.903 8.784 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.158 2.380 7.877 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.449 3.282 6.403 1.00 0.00 H new ATOM 0 HG SER A 83 13.364 2.230 7.182 1.00 0.00 H new ATOM 1311 N HIS A 84 11.639 6.666 7.100 1.00 0.00 N ATOM 1312 CA HIS A 84 11.424 7.746 6.151 1.00 0.00 C ATOM 1313 C HIS A 84 11.408 7.224 4.717 1.00 0.00 C ATOM 1314 O HIS A 84 12.056 6.225 4.401 1.00 0.00 O ATOM 1315 CB HIS A 84 12.514 8.805 6.312 1.00 0.00 C ATOM 1316 CG HIS A 84 13.887 8.310 5.973 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.425 7.158 6.509 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.833 8.815 5.145 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.642 6.978 6.026 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.912 7.968 5.197 1.00 0.00 N ATOM 0 H HIS A 84 12.414 6.822 7.745 1.00 0.00 H new ATOM 0 HA HIS A 84 10.452 8.194 6.358 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.277 9.658 5.676 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.510 9.164 7.341 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.753 9.716 4.554 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.303 6.159 6.269 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.782 8.085 4.678 1.00 0.00 H new ATOM 1329 N VAL A 85 10.661 7.907 3.856 1.00 0.00 N ATOM 1330 CA VAL A 85 10.551 7.519 2.453 1.00 0.00 C ATOM 1331 C VAL A 85 11.918 7.480 1.776 1.00 0.00 C ATOM 1332 O VAL A 85 12.876 8.086 2.255 1.00 0.00 O ATOM 1333 CB VAL A 85 9.631 8.484 1.678 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.255 7.899 0.326 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.388 8.799 2.491 1.00 0.00 C ATOM 0 H VAL A 85 10.121 8.735 4.106 1.00 0.00 H new ATOM 0 HA VAL A 85 10.118 6.519 2.436 1.00 0.00 H new ATOM 0 HB VAL A 85 10.174 9.413 1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.606 8.596 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.158 7.727 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.731 6.954 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.749 9.481 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.843 7.877 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.678 9.265 3.433 1.00 0.00 H new ATOM 1345 N ASP A 86 11.999 6.760 0.660 1.00 0.00 N ATOM 1346 CA ASP A 86 13.249 6.637 -0.083 1.00 0.00 C ATOM 1347 C ASP A 86 13.064 7.040 -1.545 1.00 0.00 C ATOM 1348 O ASP A 86 13.644 8.023 -2.005 1.00 0.00 O ATOM 1349 CB ASP A 86 13.774 5.203 -0.002 1.00 0.00 C ATOM 1350 CG ASP A 86 14.222 4.830 1.397 1.00 0.00 C ATOM 1351 OD1 ASP A 86 15.218 5.412 1.876 1.00 0.00 O ATOM 1352 OD2 ASP A 86 13.577 3.957 2.014 1.00 0.00 O ATOM 0 H ASP A 86 11.214 6.253 0.251 1.00 0.00 H new ATOM 0 HA ASP A 86 13.975 7.312 0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.994 4.514 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.610 5.085 -0.692 1.00 0.00 H new ATOM 1357 N TYR A 87 12.257 6.269 -2.272 1.00 0.00 N ATOM 1358 CA TYR A 87 12.005 6.545 -3.683 1.00 0.00 C ATOM 1359 C TYR A 87 10.845 7.519 -3.860 1.00 0.00 C ATOM 1360 O TYR A 87 10.938 8.472 -4.634 1.00 0.00 O ATOM 1361 CB TYR A 87 11.711 5.245 -4.437 1.00 0.00 C ATOM 1362 CG TYR A 87 11.671 5.412 -5.939 1.00 0.00 C ATOM 1363 CD1 TYR A 87 12.842 5.564 -6.672 1.00 0.00 C ATOM 1364 CD2 TYR A 87 10.462 5.419 -6.625 1.00 0.00 C ATOM 1365 CE1 TYR A 87 12.810 5.717 -8.045 1.00 0.00 C ATOM 1366 CE2 TYR A 87 10.423 5.572 -7.998 1.00 0.00 C ATOM 1367 CZ TYR A 87 11.599 5.721 -8.703 1.00 0.00 C ATOM 1368 OH TYR A 87 11.563 5.873 -10.070 1.00 0.00 O ATOM 0 H TYR A 87 11.768 5.451 -1.908 1.00 0.00 H new ATOM 0 HA TYR A 87 12.903 7.005 -4.095 1.00 0.00 H new ATOM 0 HB2 TYR A 87 12.472 4.507 -4.182 1.00 0.00 H new ATOM 0 HB3 TYR A 87 10.754 4.847 -4.099 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.793 5.563 -6.160 1.00 0.00 H new ATOM 0 HD2 TYR A 87 9.539 5.303 -6.077 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.729 5.833 -8.600 1.00 0.00 H new ATOM 0 HE2 TYR A 87 9.476 5.575 -8.517 1.00 0.00 H new ATOM 0 HH TYR A 87 10.633 5.852 -10.377 1.00 0.00 H new ATOM 1378 N SER A 88 9.755 7.268 -3.139 1.00 0.00 N ATOM 1379 CA SER A 88 8.561 8.112 -3.208 1.00 0.00 C ATOM 1380 C SER A 88 7.990 8.143 -4.624 1.00 0.00 C ATOM 1381 O SER A 88 8.703 7.890 -5.595 1.00 0.00 O ATOM 1382 CB SER A 88 8.872 9.534 -2.734 1.00 0.00 C ATOM 1383 OG SER A 88 10.241 9.683 -2.397 1.00 0.00 O ATOM 0 H SER A 88 9.672 6.481 -2.495 1.00 0.00 H new ATOM 0 HA SER A 88 7.812 7.679 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.610 10.245 -3.518 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.255 9.773 -1.868 1.00 0.00 H new ATOM 0 HG SER A 88 10.407 10.602 -2.100 1.00 0.00 H new ATOM 1389 N ASN A 89 6.698 8.444 -4.742 1.00 0.00 N ATOM 1390 CA ASN A 89 6.050 8.485 -6.048 1.00 0.00 C ATOM 1391 C ASN A 89 5.050 9.638 -6.172 1.00 0.00 C ATOM 1392 O ASN A 89 4.591 9.928 -7.277 1.00 0.00 O ATOM 1393 CB ASN A 89 5.326 7.166 -6.315 1.00 0.00 C ATOM 1394 CG ASN A 89 6.256 6.035 -6.703 1.00 0.00 C ATOM 1395 OD1 ASN A 89 7.410 6.256 -7.069 1.00 0.00 O ATOM 1396 ND2 ASN A 89 5.747 4.809 -6.629 1.00 0.00 N ATOM 0 H ASN A 89 6.085 8.661 -3.956 1.00 0.00 H new ATOM 0 HA ASN A 89 6.837 8.644 -6.785 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.770 6.879 -5.423 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.597 7.316 -7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.319 4.003 -6.881 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.784 4.674 -6.320 1.00 0.00 H new ATOM 1403 N TRP A 90 4.695 10.284 -5.051 1.00 0.00 N ATOM 1404 CA TRP A 90 3.731 11.386 -5.082 1.00 0.00 C ATOM 1405 C TRP A 90 3.905 12.234 -6.337 1.00 0.00 C ATOM 1406 O TRP A 90 4.899 12.945 -6.489 1.00 0.00 O ATOM 1407 CB TRP A 90 3.847 12.271 -3.838 1.00 0.00 C ATOM 1408 CG TRP A 90 5.136 12.124 -3.090 1.00 0.00 C ATOM 1409 CD1 TRP A 90 5.440 11.173 -2.160 1.00 0.00 C ATOM 1410 CD2 TRP A 90 6.292 12.963 -3.201 1.00 0.00 C ATOM 1411 NE1 TRP A 90 6.711 11.372 -1.681 1.00 0.00 N ATOM 1412 CE2 TRP A 90 7.257 12.461 -2.308 1.00 0.00 C ATOM 1413 CE3 TRP A 90 6.606 14.087 -3.970 1.00 0.00 C ATOM 1414 CZ2 TRP A 90 8.512 13.047 -2.162 1.00 0.00 C ATOM 1415 CZ3 TRP A 90 7.852 14.666 -3.824 1.00 0.00 C ATOM 1416 CH2 TRP A 90 8.792 14.145 -2.927 1.00 0.00 C ATOM 0 H TRP A 90 5.058 10.063 -4.124 1.00 0.00 H new ATOM 0 HA TRP A 90 2.737 10.939 -5.094 1.00 0.00 H new ATOM 0 HB2 TRP A 90 3.732 13.313 -4.137 1.00 0.00 H new ATOM 0 HB3 TRP A 90 3.022 12.039 -3.164 1.00 0.00 H new ATOM 0 HD1 TRP A 90 4.778 10.380 -1.847 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.174 10.802 -0.973 1.00 0.00 H new ATOM 0 HE3 TRP A 90 5.888 14.495 -4.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 9.238 12.648 -1.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 8.105 15.536 -4.412 1.00 0.00 H new ATOM 0 HH2 TRP A 90 9.758 14.620 -2.837 1.00 0.00 H new ATOM 1427 N ALA A 91 2.927 12.135 -7.233 1.00 0.00 N ATOM 1428 CA ALA A 91 2.942 12.872 -8.493 1.00 0.00 C ATOM 1429 C ALA A 91 3.433 14.305 -8.301 1.00 0.00 C ATOM 1430 O ALA A 91 2.938 15.029 -7.437 1.00 0.00 O ATOM 1431 CB ALA A 91 1.555 12.870 -9.116 1.00 0.00 C ATOM 0 H ALA A 91 2.105 11.544 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 91 3.639 12.371 -9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.577 13.422 -10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.243 11.843 -9.306 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.849 13.343 -8.434 1.00 0.00 H new ATOM 1437 N PRO A 92 4.419 14.736 -9.109 1.00 0.00 N ATOM 1438 CA PRO A 92 4.976 16.087 -9.025 1.00 0.00 C ATOM 1439 C PRO A 92 4.086 17.124 -9.701 1.00 0.00 C ATOM 1440 O PRO A 92 4.008 18.272 -9.260 1.00 0.00 O ATOM 1441 CB PRO A 92 6.304 15.955 -9.766 1.00 0.00 C ATOM 1442 CG PRO A 92 6.062 14.892 -10.781 1.00 0.00 C ATOM 1443 CD PRO A 92 5.069 13.937 -10.168 1.00 0.00 C ATOM 0 HA PRO A 92 5.074 16.431 -7.995 1.00 0.00 H new ATOM 0 HB2 PRO A 92 6.591 16.895 -10.237 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.111 15.679 -9.087 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.671 15.319 -11.705 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.989 14.378 -11.034 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.346 13.585 -10.904 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.562 13.056 -9.758 1.00 0.00 H new ATOM 1451 N GLY A 93 3.418 16.714 -10.775 1.00 0.00 N ATOM 1452 CA GLY A 93 2.542 17.620 -11.496 1.00 0.00 C ATOM 1453 C GLY A 93 1.127 17.616 -10.952 1.00 0.00 C ATOM 1454 O GLY A 93 0.169 17.825 -11.697 1.00 0.00 O ATOM 0 H GLY A 93 3.468 15.770 -11.159 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.946 18.631 -11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.523 17.341 -12.549 1.00 0.00 H new ATOM 1458 N GLU A 94 0.996 17.378 -9.651 1.00 0.00 N ATOM 1459 CA GLU A 94 -0.312 17.349 -9.006 1.00 0.00 C ATOM 1460 C GLU A 94 -0.420 18.442 -7.945 1.00 0.00 C ATOM 1461 O GLU A 94 -0.237 18.183 -6.755 1.00 0.00 O ATOM 1462 CB GLU A 94 -0.561 15.979 -8.374 1.00 0.00 C ATOM 1463 CG GLU A 94 -2.005 15.757 -7.951 1.00 0.00 C ATOM 1464 CD GLU A 94 -2.755 14.838 -8.897 1.00 0.00 C ATOM 1465 OE1 GLU A 94 -2.670 15.054 -10.125 1.00 0.00 O ATOM 1466 OE2 GLU A 94 -3.426 13.905 -8.411 1.00 0.00 O ATOM 0 H GLU A 94 1.780 17.202 -9.022 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.070 17.532 -9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.276 15.203 -9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.085 15.867 -7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.025 15.333 -6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.517 16.718 -7.902 1.00 0.00 H new ATOM 1473 N PRO A 95 -0.718 19.686 -8.365 1.00 0.00 N ATOM 1474 CA PRO A 95 -0.847 20.821 -7.444 1.00 0.00 C ATOM 1475 C PRO A 95 -1.885 20.569 -6.355 1.00 0.00 C ATOM 1476 O PRO A 95 -3.026 20.207 -6.644 1.00 0.00 O ATOM 1477 CB PRO A 95 -1.295 21.972 -8.350 1.00 0.00 C ATOM 1478 CG PRO A 95 -0.852 21.580 -9.717 1.00 0.00 C ATOM 1479 CD PRO A 95 -0.948 20.082 -9.766 1.00 0.00 C ATOM 0 HA PRO A 95 0.084 21.018 -6.913 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.376 22.109 -8.309 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.842 22.915 -8.043 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.484 22.037 -10.479 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.168 21.913 -9.908 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.924 19.752 -10.123 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.202 19.652 -10.434 1.00 0.00 H new ATOM 1487 N THR A 96 -1.480 20.763 -5.104 1.00 0.00 N ATOM 1488 CA THR A 96 -2.375 20.556 -3.971 1.00 0.00 C ATOM 1489 C THR A 96 -3.395 21.686 -3.871 1.00 0.00 C ATOM 1490 O THR A 96 -3.034 22.864 -3.874 1.00 0.00 O ATOM 1491 CB THR A 96 -1.572 20.463 -2.673 1.00 0.00 C ATOM 1492 OG1 THR A 96 -0.864 21.666 -2.431 1.00 0.00 O ATOM 1493 CG2 THR A 96 -0.567 19.331 -2.671 1.00 0.00 C ATOM 0 H THR A 96 -0.539 21.063 -4.849 1.00 0.00 H new ATOM 0 HA THR A 96 -2.911 19.620 -4.128 1.00 0.00 H new ATOM 0 HB THR A 96 -2.309 20.276 -1.892 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.360 22.420 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.032 19.322 -1.722 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.087 18.382 -2.804 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.142 19.473 -3.486 1.00 0.00 H new ATOM 1501 N SER A 97 -4.669 21.320 -3.782 1.00 0.00 N ATOM 1502 CA SER A 97 -5.742 22.303 -3.682 1.00 0.00 C ATOM 1503 C SER A 97 -6.053 22.623 -2.223 1.00 0.00 C ATOM 1504 O SER A 97 -7.005 23.346 -1.926 1.00 0.00 O ATOM 1505 CB SER A 97 -7.002 21.788 -4.382 1.00 0.00 C ATOM 1506 OG SER A 97 -6.691 20.738 -5.282 1.00 0.00 O ATOM 0 H SER A 97 -4.984 20.350 -3.777 1.00 0.00 H new ATOM 0 HA SER A 97 -5.409 23.217 -4.173 1.00 0.00 H new ATOM 0 HB2 SER A 97 -7.716 21.435 -3.639 1.00 0.00 H new ATOM 0 HB3 SER A 97 -7.482 22.604 -4.922 1.00 0.00 H new ATOM 0 HG SER A 97 -7.512 20.425 -5.715 1.00 0.00 H new ATOM 1512 N ARG A 98 -5.242 22.080 -1.318 1.00 0.00 N ATOM 1513 CA ARG A 98 -5.425 22.304 0.112 1.00 0.00 C ATOM 1514 C ARG A 98 -6.821 21.882 0.558 1.00 0.00 C ATOM 1515 O ARG A 98 -7.745 22.696 0.599 1.00 0.00 O ATOM 1516 CB ARG A 98 -5.189 23.777 0.456 1.00 0.00 C ATOM 1517 CG ARG A 98 -4.583 23.991 1.833 1.00 0.00 C ATOM 1518 CD ARG A 98 -3.066 24.068 1.768 1.00 0.00 C ATOM 1519 NE ARG A 98 -2.609 25.172 0.930 1.00 0.00 N ATOM 1520 CZ ARG A 98 -1.828 26.156 1.367 1.00 0.00 C ATOM 1521 NH1 ARG A 98 -1.422 26.174 2.630 1.00 0.00 N ATOM 1522 NH2 ARG A 98 -1.454 27.123 0.541 1.00 0.00 N ATOM 0 H ARG A 98 -4.450 21.481 -1.551 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.695 21.693 0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.530 24.215 -0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.137 24.311 0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.977 24.910 2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.879 23.175 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.666 24.188 2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.672 23.130 1.378 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.905 25.190 -0.046 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.709 25.432 3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.823 26.930 2.962 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.765 27.113 -0.430 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.855 27.877 0.877 1.00 0.00 H new ATOM 1536 N SER A 99 -6.969 20.603 0.890 1.00 0.00 N ATOM 1537 CA SER A 99 -8.252 20.070 1.331 1.00 0.00 C ATOM 1538 C SER A 99 -8.163 19.555 2.765 1.00 0.00 C ATOM 1539 O SER A 99 -7.197 19.836 3.476 1.00 0.00 O ATOM 1540 CB SER A 99 -8.708 18.945 0.400 1.00 0.00 C ATOM 1541 OG SER A 99 -8.657 19.353 -0.956 1.00 0.00 O ATOM 0 H SER A 99 -6.215 19.917 0.862 1.00 0.00 H new ATOM 0 HA SER A 99 -8.983 20.878 1.299 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.074 18.070 0.544 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.725 18.647 0.655 1.00 0.00 H new ATOM 0 HG SER A 99 -8.952 18.616 -1.531 1.00 0.00 H new ATOM 1547 N GLN A 100 -9.174 18.801 3.183 1.00 0.00 N ATOM 1548 CA GLN A 100 -9.209 18.246 4.532 1.00 0.00 C ATOM 1549 C GLN A 100 -8.475 16.910 4.588 1.00 0.00 C ATOM 1550 O GLN A 100 -7.877 16.478 3.601 1.00 0.00 O ATOM 1551 CB GLN A 100 -10.656 18.067 4.995 1.00 0.00 C ATOM 1552 CG GLN A 100 -11.449 19.363 5.029 1.00 0.00 C ATOM 1553 CD GLN A 100 -11.368 20.062 6.372 1.00 0.00 C ATOM 1554 OE1 GLN A 100 -10.316 20.081 7.012 1.00 0.00 O ATOM 1555 NE2 GLN A 100 -12.481 20.641 6.807 1.00 0.00 N ATOM 0 H GLN A 100 -9.981 18.560 2.607 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.706 18.945 5.200 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.156 17.362 4.331 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.658 17.624 5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.078 20.032 4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -12.493 19.152 4.796 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.330 20.601 6.244 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.486 21.126 7.704 1.00 0.00 H new ATOM 1564 N GLY A 101 -8.525 16.260 5.746 1.00 0.00 N ATOM 1565 CA GLY A 101 -7.860 14.979 5.909 1.00 0.00 C ATOM 1566 C GLY A 101 -6.853 14.986 7.042 1.00 0.00 C ATOM 1567 O GLY A 101 -7.027 15.698 8.031 1.00 0.00 O ATOM 0 H GLY A 101 -9.014 16.597 6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.607 14.207 6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -7.355 14.715 4.980 1.00 0.00 H new ATOM 1571 N GLU A 102 -5.797 14.192 6.897 1.00 0.00 N ATOM 1572 CA GLU A 102 -4.757 14.110 7.917 1.00 0.00 C ATOM 1573 C GLU A 102 -3.374 13.976 7.281 1.00 0.00 C ATOM 1574 O GLU A 102 -2.697 14.974 7.035 1.00 0.00 O ATOM 1575 CB GLU A 102 -5.022 12.927 8.851 1.00 0.00 C ATOM 1576 CG GLU A 102 -5.593 13.333 10.200 1.00 0.00 C ATOM 1577 CD GLU A 102 -6.644 12.363 10.704 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -7.774 12.382 10.172 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -6.337 11.584 11.631 1.00 0.00 O ATOM 0 H GLU A 102 -5.639 13.597 6.084 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.779 15.033 8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.714 12.239 8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.090 12.384 9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.784 13.397 10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.031 14.328 10.121 1.00 0.00 H new ATOM 1586 N ASP A 103 -2.961 12.739 7.019 1.00 0.00 N ATOM 1587 CA ASP A 103 -1.658 12.479 6.415 1.00 0.00 C ATOM 1588 C ASP A 103 -1.585 11.056 5.868 1.00 0.00 C ATOM 1589 O ASP A 103 -1.433 10.098 6.627 1.00 0.00 O ATOM 1590 CB ASP A 103 -0.549 12.696 7.444 1.00 0.00 C ATOM 1591 CG ASP A 103 -0.916 12.152 8.811 1.00 0.00 C ATOM 1592 OD1 ASP A 103 -1.624 12.857 9.561 1.00 0.00 O ATOM 1593 OD2 ASP A 103 -0.494 11.022 9.132 1.00 0.00 O ATOM 0 H ASP A 103 -3.509 11.902 7.215 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.522 13.175 5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.365 12.213 7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.336 13.762 7.525 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.695 10.920 4.548 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.639 9.607 3.912 1.00 0.00 C ATOM 1600 C CYS A 104 -1.402 9.715 2.409 1.00 0.00 C ATOM 1601 O CYS A 104 -1.867 10.648 1.754 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.939 8.836 4.160 1.00 0.00 C ATOM 1603 SG CYS A 104 -4.445 9.740 3.672 1.00 0.00 S ATOM 0 H CYS A 104 -1.823 11.699 3.902 1.00 0.00 H new ATOM 0 HA CYS A 104 -0.800 9.072 4.357 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.900 7.894 3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -3.005 8.587 5.219 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.691 8.734 1.865 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.413 8.696 0.441 1.00 0.00 C ATOM 1610 C VAL A 105 -1.284 7.644 -0.230 1.00 0.00 C ATOM 1611 O VAL A 105 -1.458 6.542 0.290 1.00 0.00 O ATOM 1612 CB VAL A 105 1.074 8.401 0.160 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.291 8.034 -1.298 1.00 0.00 C ATOM 1614 CG2 VAL A 105 1.922 9.602 0.528 1.00 0.00 C ATOM 0 H VAL A 105 -0.298 7.955 2.393 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.643 9.679 0.030 1.00 0.00 H new ATOM 0 HB VAL A 105 1.374 7.551 0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.348 7.831 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.707 7.146 -1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.973 8.861 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.970 9.383 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.610 10.463 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.796 9.825 1.587 1.00 0.00 H new ATOM 1624 N MET A 106 -1.837 7.996 -1.380 1.00 0.00 N ATOM 1625 CA MET A 106 -2.700 7.095 -2.121 1.00 0.00 C ATOM 1626 C MET A 106 -2.095 6.777 -3.479 1.00 0.00 C ATOM 1627 O MET A 106 -1.147 7.422 -3.911 1.00 0.00 O ATOM 1628 CB MET A 106 -4.089 7.717 -2.291 1.00 0.00 C ATOM 1629 CG MET A 106 -4.124 8.878 -3.273 1.00 0.00 C ATOM 1630 SD MET A 106 -5.716 9.038 -4.103 1.00 0.00 S ATOM 1631 CE MET A 106 -5.200 9.618 -5.716 1.00 0.00 C ATOM 0 H MET A 106 -1.701 8.906 -1.821 1.00 0.00 H new ATOM 0 HA MET A 106 -2.797 6.166 -1.560 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.783 6.947 -2.628 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.443 8.063 -1.320 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.900 9.804 -2.743 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.342 8.741 -4.019 1.00 0.00 H new ATOM 0 HE1 MET A 106 -6.053 9.612 -6.395 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.811 10.633 -5.631 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.421 8.963 -6.106 1.00 0.00 H new ATOM 1641 N MET A 107 -2.639 5.772 -4.140 1.00 0.00 N ATOM 1642 CA MET A 107 -2.145 5.365 -5.446 1.00 0.00 C ATOM 1643 C MET A 107 -3.279 5.359 -6.467 1.00 0.00 C ATOM 1644 O MET A 107 -4.338 4.784 -6.221 1.00 0.00 O ATOM 1645 CB MET A 107 -1.502 3.978 -5.343 1.00 0.00 C ATOM 1646 CG MET A 107 -1.564 3.169 -6.625 1.00 0.00 C ATOM 1647 SD MET A 107 -3.036 2.132 -6.726 1.00 0.00 S ATOM 1648 CE MET A 107 -3.701 2.642 -8.309 1.00 0.00 C ATOM 0 H MET A 107 -3.425 5.221 -3.795 1.00 0.00 H new ATOM 0 HA MET A 107 -1.393 6.079 -5.782 1.00 0.00 H new ATOM 0 HB2 MET A 107 -0.459 4.094 -5.050 1.00 0.00 H new ATOM 0 HB3 MET A 107 -1.996 3.418 -4.549 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.543 3.847 -7.478 1.00 0.00 H new ATOM 0 HG3 MET A 107 -0.676 2.540 -6.696 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.646 3.163 -8.156 1.00 0.00 H new ATOM 0 HE2 MET A 107 -2.994 3.309 -8.803 1.00 0.00 H new ATOM 0 HE3 MET A 107 -3.868 1.764 -8.933 1.00 0.00 H new ATOM 1658 N ARG A 108 -3.047 6.004 -7.611 1.00 0.00 N ATOM 1659 CA ARG A 108 -4.047 6.081 -8.677 1.00 0.00 C ATOM 1660 C ARG A 108 -3.598 7.041 -9.776 1.00 0.00 C ATOM 1661 O ARG A 108 -2.431 7.430 -9.835 1.00 0.00 O ATOM 1662 CB ARG A 108 -5.397 6.541 -8.120 1.00 0.00 C ATOM 1663 CG ARG A 108 -6.512 5.525 -8.306 1.00 0.00 C ATOM 1664 CD ARG A 108 -7.780 6.178 -8.832 1.00 0.00 C ATOM 1665 NE ARG A 108 -8.689 6.558 -7.753 1.00 0.00 N ATOM 1666 CZ ARG A 108 -8.986 7.817 -7.449 1.00 0.00 C ATOM 1667 NH1 ARG A 108 -8.447 8.815 -8.137 1.00 0.00 N ATOM 1668 NH2 ARG A 108 -9.822 8.080 -6.454 1.00 0.00 N ATOM 0 H ARG A 108 -2.172 6.482 -7.824 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.156 5.083 -9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.287 6.757 -7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.682 7.474 -8.607 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.187 4.749 -8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.721 5.035 -7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.518 7.062 -9.413 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.288 5.491 -9.508 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.120 5.815 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.802 8.617 -8.902 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.677 9.780 -7.901 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.237 7.316 -5.921 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.050 9.047 -6.221 1.00 0.00 H new ATOM 1682 N GLY A 109 -4.536 7.423 -10.638 1.00 0.00 N ATOM 1683 CA GLY A 109 -4.229 8.341 -11.719 1.00 0.00 C ATOM 1684 C GLY A 109 -3.405 7.702 -12.820 1.00 0.00 C ATOM 1685 O GLY A 109 -3.712 6.600 -13.275 1.00 0.00 O ATOM 0 H GLY A 109 -5.507 7.111 -10.606 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.159 8.720 -12.142 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.688 9.198 -11.318 1.00 0.00 H new ATOM 1689 N SER A 110 -2.358 8.401 -13.248 1.00 0.00 N ATOM 1690 CA SER A 110 -1.480 7.911 -14.305 1.00 0.00 C ATOM 1691 C SER A 110 -0.948 6.519 -13.978 1.00 0.00 C ATOM 1692 O SER A 110 -0.585 5.757 -14.875 1.00 0.00 O ATOM 1693 CB SER A 110 -0.312 8.875 -14.510 1.00 0.00 C ATOM 1694 OG SER A 110 -0.769 10.149 -14.929 1.00 0.00 O ATOM 0 H SER A 110 -2.096 9.314 -12.876 1.00 0.00 H new ATOM 0 HA SER A 110 -2.063 7.849 -15.224 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.249 8.974 -13.581 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.373 8.468 -15.254 1.00 0.00 H new ATOM 0 HG SER A 110 -0.003 10.747 -15.051 1.00 0.00 H new ATOM 1700 N GLY A 111 -0.903 6.197 -12.691 1.00 0.00 N ATOM 1701 CA GLY A 111 -0.414 4.903 -12.269 1.00 0.00 C ATOM 1702 C GLY A 111 0.670 5.010 -11.216 1.00 0.00 C ATOM 1703 O GLY A 111 1.526 4.132 -11.104 1.00 0.00 O ATOM 0 H GLY A 111 -1.198 6.812 -11.932 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.243 4.315 -11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.025 4.365 -13.134 1.00 0.00 H new ATOM 1707 N ARG A 112 0.637 6.091 -10.444 1.00 0.00 N ATOM 1708 CA ARG A 112 1.626 6.310 -9.397 1.00 0.00 C ATOM 1709 C ARG A 112 0.953 6.643 -8.065 1.00 0.00 C ATOM 1710 O ARG A 112 -0.146 6.169 -7.777 1.00 0.00 O ATOM 1711 CB ARG A 112 2.593 7.429 -9.808 1.00 0.00 C ATOM 1712 CG ARG A 112 1.947 8.802 -9.931 1.00 0.00 C ATOM 1713 CD ARG A 112 1.176 8.945 -11.233 1.00 0.00 C ATOM 1714 NE ARG A 112 1.998 9.522 -12.295 1.00 0.00 N ATOM 1715 CZ ARG A 112 1.874 10.774 -12.726 1.00 0.00 C ATOM 1716 NH1 ARG A 112 0.967 11.579 -12.188 1.00 0.00 N ATOM 1717 NH2 ARG A 112 2.659 11.222 -13.696 1.00 0.00 N ATOM 0 H ARG A 112 -0.064 6.828 -10.524 1.00 0.00 H new ATOM 0 HA ARG A 112 2.192 5.388 -9.264 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.399 7.484 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.048 7.167 -10.763 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.274 8.964 -9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.716 9.572 -9.877 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.811 7.967 -11.548 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.301 9.574 -11.069 1.00 0.00 H new ATOM 0 HE ARG A 112 2.707 8.931 -12.730 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.362 11.238 -11.441 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.875 12.539 -12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 112 3.358 10.606 -14.112 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.564 12.182 -14.027 1.00 0.00 H new ATOM 1731 N TRP A 113 1.626 7.455 -7.260 1.00 0.00 N ATOM 1732 CA TRP A 113 1.118 7.859 -5.958 1.00 0.00 C ATOM 1733 C TRP A 113 0.677 9.304 -5.968 1.00 0.00 C ATOM 1734 O TRP A 113 1.114 10.100 -6.796 1.00 0.00 O ATOM 1735 CB TRP A 113 2.188 7.776 -4.875 1.00 0.00 C ATOM 1736 CG TRP A 113 2.751 6.429 -4.587 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.526 5.252 -5.238 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.678 6.151 -3.546 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.269 4.252 -4.653 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.983 4.782 -3.607 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.277 6.944 -2.566 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.871 4.182 -2.717 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.158 6.351 -1.682 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.450 4.979 -1.762 1.00 0.00 C ATOM 0 H TRP A 113 2.537 7.851 -7.492 1.00 0.00 H new ATOM 0 HA TRP A 113 0.292 7.179 -5.750 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.010 8.434 -5.159 1.00 0.00 H new ATOM 0 HB3 TRP A 113 1.767 8.172 -3.951 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.866 5.124 -6.083 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.286 3.276 -4.949 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.056 7.999 -2.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.096 3.127 -2.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.629 6.951 -0.918 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.144 4.543 -1.058 1.00 0.00 H new ATOM 1755 N ASN A 114 -0.124 9.642 -4.981 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.561 11.002 -4.788 1.00 0.00 C ATOM 1757 C ASN A 114 -0.559 11.285 -3.295 1.00 0.00 C ATOM 1758 O ASN A 114 -1.253 10.623 -2.525 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.961 11.213 -5.370 1.00 0.00 C ATOM 1760 CG ASN A 114 -1.923 11.636 -6.825 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -2.563 11.022 -7.680 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -1.171 12.690 -7.116 1.00 0.00 N ATOM 0 H ASN A 114 -0.488 8.982 -4.293 1.00 0.00 H new ATOM 0 HA ASN A 114 0.112 11.686 -5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.533 10.290 -5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.483 11.972 -4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.107 13.021 -8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.657 13.170 -6.377 1.00 0.00 H new ATOM 1769 N ASP A 115 0.236 12.261 -2.889 1.00 0.00 N ATOM 1770 CA ASP A 115 0.344 12.622 -1.488 1.00 0.00 C ATOM 1771 C ASP A 115 -0.687 13.678 -1.107 1.00 0.00 C ATOM 1772 O ASP A 115 -0.746 14.750 -1.709 1.00 0.00 O ATOM 1773 CB ASP A 115 1.751 13.130 -1.188 1.00 0.00 C ATOM 1774 CG ASP A 115 1.931 13.457 0.281 1.00 0.00 C ATOM 1775 OD1 ASP A 115 2.176 12.522 1.072 1.00 0.00 O ATOM 1776 OD2 ASP A 115 1.822 14.647 0.642 1.00 0.00 O ATOM 0 H ASP A 115 0.818 12.819 -3.514 1.00 0.00 H new ATOM 0 HA ASP A 115 0.147 11.731 -0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.480 12.376 -1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.951 14.019 -1.785 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.494 13.364 -0.099 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.520 14.277 0.372 1.00 0.00 C ATOM 1783 C ALA A 116 -2.887 13.963 1.816 1.00 0.00 C ATOM 1784 O ALA A 116 -2.606 12.874 2.309 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.749 14.204 -0.520 1.00 0.00 C ATOM 0 H ALA A 116 -1.454 12.479 0.407 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.126 15.292 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.507 14.895 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.475 14.475 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.147 13.189 -0.509 1.00 0.00 H new ATOM 1791 N PHE A 117 -3.515 14.919 2.489 1.00 0.00 N ATOM 1792 CA PHE A 117 -3.920 14.734 3.874 1.00 0.00 C ATOM 1793 C PHE A 117 -4.555 13.360 4.068 1.00 0.00 C ATOM 1794 O PHE A 117 -3.918 12.442 4.578 1.00 0.00 O ATOM 1795 CB PHE A 117 -4.897 15.834 4.287 1.00 0.00 C ATOM 1796 CG PHE A 117 -4.397 17.221 3.999 1.00 0.00 C ATOM 1797 CD1 PHE A 117 -3.577 17.877 4.902 1.00 0.00 C ATOM 1798 CD2 PHE A 117 -4.749 17.868 2.825 1.00 0.00 C ATOM 1799 CE1 PHE A 117 -3.117 19.154 4.641 1.00 0.00 C ATOM 1800 CE2 PHE A 117 -4.292 19.145 2.559 1.00 0.00 C ATOM 1801 CZ PHE A 117 -3.474 19.788 3.467 1.00 0.00 C ATOM 0 H PHE A 117 -3.754 15.830 2.097 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.034 14.795 4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -5.843 15.682 3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.102 15.745 5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -3.294 17.385 5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -5.387 17.369 2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -2.479 19.655 5.354 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.574 19.640 1.641 1.00 0.00 H new ATOM 0 HZ PHE A 117 -3.114 20.785 3.259 1.00 0.00 H new ATOM 1811 N CYS A 118 -5.807 13.227 3.642 1.00 0.00 N ATOM 1812 CA CYS A 118 -6.534 11.962 3.754 1.00 0.00 C ATOM 1813 C CYS A 118 -7.988 12.134 3.321 1.00 0.00 C ATOM 1814 O CYS A 118 -8.883 11.470 3.843 1.00 0.00 O ATOM 1815 CB CYS A 118 -6.480 11.430 5.191 1.00 0.00 C ATOM 1816 SG CYS A 118 -5.510 9.896 5.395 1.00 0.00 S ATOM 0 H CYS A 118 -6.343 13.982 3.214 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.053 11.241 3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -6.056 12.201 5.835 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -7.498 11.250 5.537 1.00 0.00 H new ATOM 1821 N ASP A 119 -8.213 13.030 2.365 1.00 0.00 N ATOM 1822 CA ASP A 119 -9.559 13.290 1.864 1.00 0.00 C ATOM 1823 C ASP A 119 -9.693 12.851 0.408 1.00 0.00 C ATOM 1824 O ASP A 119 -10.053 13.647 -0.460 1.00 0.00 O ATOM 1825 CB ASP A 119 -9.896 14.776 1.997 1.00 0.00 C ATOM 1826 CG ASP A 119 -11.390 15.030 2.006 1.00 0.00 C ATOM 1827 OD1 ASP A 119 -12.025 14.798 3.056 1.00 0.00 O ATOM 1828 OD2 ASP A 119 -11.925 15.460 0.962 1.00 0.00 O ATOM 0 H ASP A 119 -7.482 13.587 1.922 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.262 12.711 2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -9.458 15.164 2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -9.442 15.324 1.172 1.00 0.00 H new ATOM 1833 N ARG A 120 -9.404 11.581 0.150 1.00 0.00 N ATOM 1834 CA ARG A 120 -9.495 11.034 -1.199 1.00 0.00 C ATOM 1835 C ARG A 120 -10.375 9.790 -1.218 1.00 0.00 C ATOM 1836 O ARG A 120 -11.152 9.582 -2.150 1.00 0.00 O ATOM 1837 CB ARG A 120 -8.101 10.696 -1.731 1.00 0.00 C ATOM 1838 CG ARG A 120 -7.558 11.723 -2.709 1.00 0.00 C ATOM 1839 CD ARG A 120 -7.027 12.951 -1.987 1.00 0.00 C ATOM 1840 NE ARG A 120 -6.526 13.958 -2.917 1.00 0.00 N ATOM 1841 CZ ARG A 120 -5.380 13.844 -3.583 1.00 0.00 C ATOM 1842 NH1 ARG A 120 -4.621 12.769 -3.421 1.00 0.00 N ATOM 1843 NH2 ARG A 120 -4.994 14.806 -4.410 1.00 0.00 N ATOM 0 H ARG A 120 -9.104 10.910 0.857 1.00 0.00 H new ATOM 0 HA ARG A 120 -9.947 11.789 -1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -7.412 10.607 -0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.134 9.723 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.761 11.276 -3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.345 12.019 -3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.820 13.384 -1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.227 12.655 -1.308 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.087 14.797 -3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -4.915 12.028 -2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -3.743 12.683 -3.932 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.576 15.634 -4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.115 14.718 -4.920 1.00 0.00 H new ATOM 1857 N LYS A 121 -10.244 8.970 -0.180 1.00 0.00 N ATOM 1858 CA LYS A 121 -11.024 7.741 -0.062 1.00 0.00 C ATOM 1859 C LYS A 121 -10.776 6.817 -1.250 1.00 0.00 C ATOM 1860 O LYS A 121 -11.353 6.998 -2.322 1.00 0.00 O ATOM 1861 CB LYS A 121 -12.516 8.062 0.047 1.00 0.00 C ATOM 1862 CG LYS A 121 -13.098 7.785 1.423 1.00 0.00 C ATOM 1863 CD LYS A 121 -13.548 9.066 2.106 1.00 0.00 C ATOM 1864 CE LYS A 121 -12.632 9.431 3.262 1.00 0.00 C ATOM 1865 NZ LYS A 121 -11.711 10.547 2.910 1.00 0.00 N ATOM 0 H LYS A 121 -9.602 9.135 0.595 1.00 0.00 H new ATOM 0 HA LYS A 121 -10.704 7.228 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -12.672 9.112 -0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -13.060 7.476 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -13.944 7.104 1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -12.352 7.285 2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -13.563 9.880 1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -14.568 8.946 2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -13.233 9.715 4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -12.049 8.557 3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -10.831 10.457 3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -11.492 10.509 1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -12.165 11.456 3.133 1.00 0.00 H new ATOM 1879 N LEU A 122 -9.918 5.822 -1.050 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.598 4.866 -2.103 1.00 0.00 C ATOM 1881 C LEU A 122 -10.620 3.736 -2.132 1.00 0.00 C ATOM 1882 O LEU A 122 -11.768 3.921 -1.723 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.189 4.306 -1.898 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.061 5.302 -2.162 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.775 6.127 -0.918 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.806 4.579 -2.619 1.00 0.00 C ATOM 0 H LEU A 122 -9.432 5.657 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.633 5.383 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.103 3.943 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.056 3.445 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.379 5.976 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.969 6.831 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.672 6.677 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.479 5.466 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.014 5.305 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.486 3.881 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -6.016 4.032 -3.538 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.209 2.568 -2.617 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.123 1.445 -2.684 1.00 0.00 C ATOM 1900 C GLY A 123 -10.423 0.100 -2.729 1.00 0.00 C ATOM 1901 O GLY A 123 -10.984 -0.873 -3.231 1.00 0.00 O ATOM 0 H GLY A 123 -9.267 2.381 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.785 1.473 -1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.751 1.549 -3.569 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.202 0.033 -2.203 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.458 -1.223 -2.197 1.00 0.00 C ATOM 1907 C ALA A 124 -7.489 -1.297 -1.028 1.00 0.00 C ATOM 1908 O ALA A 124 -6.712 -0.374 -0.789 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.717 -1.414 -3.508 1.00 0.00 C ATOM 0 H ALA A 124 -8.713 0.822 -1.781 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.182 -2.029 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.169 -2.356 -3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.432 -1.432 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.017 -0.591 -3.654 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.537 -2.415 -0.311 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.660 -2.630 0.831 1.00 0.00 C ATOM 1917 C TRP A 125 -5.451 -3.459 0.422 1.00 0.00 C ATOM 1918 O TRP A 125 -5.569 -4.656 0.158 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.402 -3.338 1.968 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.842 -2.940 2.103 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.363 -1.682 2.000 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -9.945 -3.810 2.379 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -10.723 -1.718 2.190 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -11.105 -3.014 2.424 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -10.065 -5.187 2.589 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -12.366 -3.549 2.673 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -11.319 -5.717 2.835 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -12.454 -4.899 2.874 1.00 0.00 C ATOM 0 H TRP A 125 -8.176 -3.187 -0.502 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.328 -1.654 1.184 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -7.348 -4.415 1.807 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -6.889 -3.129 2.907 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -8.790 -0.789 1.799 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -11.347 -0.912 2.162 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -9.194 -5.825 2.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -13.244 -2.920 2.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -11.424 -6.779 3.000 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -13.419 -5.343 3.067 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.287 -2.824 0.376 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.066 -3.512 0.004 1.00 0.00 C ATOM 1941 C VAL A 126 -2.120 -3.593 1.201 1.00 0.00 C ATOM 1942 O VAL A 126 -1.866 -2.599 1.880 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.373 -2.817 -1.185 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.911 -3.173 -1.242 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -3.039 -3.201 -2.489 1.00 0.00 C ATOM 0 H VAL A 126 -4.167 -1.834 0.592 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.329 -4.523 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.466 -1.741 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.447 -2.669 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.423 -2.856 -0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.803 -4.252 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.535 -2.700 -3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.976 -4.281 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.086 -2.899 -2.466 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.630 -4.797 1.459 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.735 -5.063 2.581 1.00 0.00 C ATOM 1957 C CYS A 127 0.411 -5.958 2.143 1.00 0.00 C ATOM 1958 O CYS A 127 0.367 -6.542 1.067 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.493 -5.724 3.734 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.158 -5.047 4.018 1.00 0.00 S ATOM 0 H CYS A 127 -1.841 -5.621 0.896 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.333 -4.110 2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.577 -6.792 3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.908 -5.616 4.648 1.00 0.00 H new ATOM 1965 N ASP A 128 1.442 -6.061 2.969 1.00 0.00 N ATOM 1966 CA ASP A 128 2.577 -6.898 2.643 1.00 0.00 C ATOM 1967 C ASP A 128 2.847 -7.882 3.771 1.00 0.00 C ATOM 1968 O ASP A 128 2.685 -7.561 4.947 1.00 0.00 O ATOM 1969 CB ASP A 128 3.814 -6.042 2.389 1.00 0.00 C ATOM 1970 CG ASP A 128 4.373 -5.436 3.661 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.876 -4.369 4.078 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.307 -6.030 4.241 1.00 0.00 O ATOM 0 H ASP A 128 1.512 -5.577 3.864 1.00 0.00 H new ATOM 0 HA ASP A 128 2.346 -7.456 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.582 -6.652 1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.562 -5.244 1.691 1.00 0.00 H new ATOM 1977 N ARG A 129 3.256 -9.081 3.397 1.00 0.00 N ATOM 1978 CA ARG A 129 3.552 -10.131 4.359 1.00 0.00 C ATOM 1979 C ARG A 129 4.495 -11.150 3.744 1.00 0.00 C ATOM 1980 O ARG A 129 4.472 -11.372 2.535 1.00 0.00 O ATOM 1981 CB ARG A 129 2.262 -10.816 4.813 1.00 0.00 C ATOM 1982 CG ARG A 129 2.432 -11.669 6.060 1.00 0.00 C ATOM 1983 CD ARG A 129 1.612 -12.946 5.977 1.00 0.00 C ATOM 1984 NE ARG A 129 2.159 -14.004 6.821 1.00 0.00 N ATOM 1985 CZ ARG A 129 1.912 -14.111 8.124 1.00 0.00 C ATOM 1986 NH1 ARG A 129 1.129 -13.228 8.728 1.00 0.00 N ATOM 1987 NH2 ARG A 129 2.447 -15.103 8.821 1.00 0.00 N ATOM 0 H ARG A 129 3.392 -9.355 2.424 1.00 0.00 H new ATOM 0 HA ARG A 129 4.033 -9.683 5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.504 -10.056 5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.888 -11.442 4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 129 3.485 -11.919 6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.129 -11.097 6.937 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.585 -12.737 6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.578 -13.288 4.943 1.00 0.00 H new ATOM 0 HE ARG A 129 2.765 -14.701 6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.714 -12.464 8.194 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.941 -13.312 9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.048 -15.785 8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.257 -15.185 9.820 1.00 0.00 H new ATOM 2001 N LEU A 130 5.318 -11.772 4.571 1.00 0.00 N ATOM 2002 CA LEU A 130 6.259 -12.769 4.084 1.00 0.00 C ATOM 2003 C LEU A 130 5.523 -14.001 3.567 1.00 0.00 C ATOM 2004 O LEU A 130 4.465 -14.365 4.081 1.00 0.00 O ATOM 2005 CB LEU A 130 7.247 -13.153 5.189 1.00 0.00 C ATOM 2006 CG LEU A 130 8.473 -12.237 5.321 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.706 -12.917 4.750 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.237 -10.896 4.632 1.00 0.00 C ATOM 0 H LEU A 130 5.355 -11.607 5.577 1.00 0.00 H new ATOM 0 HA LEU A 130 6.819 -12.337 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.716 -13.162 6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.592 -14.171 5.007 1.00 0.00 H new ATOM 0 HG LEU A 130 8.637 -12.045 6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.566 -12.255 4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.895 -13.843 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.543 -13.141 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.122 -10.269 4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.039 -11.061 3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.381 -10.398 5.088 1.00 0.00 H new ATOM 2020 N ALA A 131 6.085 -14.625 2.533 1.00 0.00 N ATOM 2021 CA ALA A 131 5.487 -15.809 1.922 1.00 0.00 C ATOM 2022 C ALA A 131 5.162 -16.885 2.956 1.00 0.00 C ATOM 2023 O ALA A 131 5.405 -16.712 4.151 1.00 0.00 O ATOM 2024 CB ALA A 131 6.413 -16.373 0.854 1.00 0.00 C ATOM 0 H ALA A 131 6.959 -14.327 2.099 1.00 0.00 H new ATOM 0 HA ALA A 131 4.548 -15.501 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.956 -17.255 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 131 6.581 -15.620 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.366 -16.648 1.307 1.00 0.00 H new ATOM 2030 N THR A 132 4.609 -17.997 2.484 1.00 0.00 N ATOM 2031 CA THR A 132 4.243 -19.101 3.360 1.00 0.00 C ATOM 2032 C THR A 132 5.360 -20.136 3.436 1.00 0.00 C ATOM 2033 O THR A 132 5.198 -21.195 4.043 1.00 0.00 O ATOM 2034 CB THR A 132 2.954 -19.762 2.869 1.00 0.00 C ATOM 2035 OG1 THR A 132 2.757 -19.513 1.488 1.00 0.00 O ATOM 2036 CG2 THR A 132 1.720 -19.284 3.602 1.00 0.00 C ATOM 0 H THR A 132 4.405 -18.157 1.498 1.00 0.00 H new ATOM 0 HA THR A 132 4.081 -18.697 4.359 1.00 0.00 H new ATOM 0 HB THR A 132 3.083 -20.827 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 132 1.913 -19.918 1.200 1.00 0.00 H new ATOM 0 HG21 THR A 132 0.841 -19.792 3.205 1.00 0.00 H new ATOM 0 HG22 THR A 132 1.819 -19.507 4.664 1.00 0.00 H new ATOM 0 HG23 THR A 132 1.610 -18.208 3.466 1.00 0.00 H new ATOM 2044 N CYS A 133 6.496 -19.824 2.820 1.00 0.00 N ATOM 2045 CA CYS A 133 7.641 -20.728 2.823 1.00 0.00 C ATOM 2046 C CYS A 133 8.912 -19.994 3.237 1.00 0.00 C ATOM 2047 O CYS A 133 9.068 -18.803 2.972 1.00 0.00 O ATOM 2048 CB CYS A 133 7.828 -21.355 1.439 1.00 0.00 C ATOM 2049 SG CYS A 133 7.328 -20.278 0.058 1.00 0.00 S ATOM 0 H CYS A 133 6.648 -18.952 2.313 1.00 0.00 H new ATOM 0 HA CYS A 133 7.446 -21.518 3.548 1.00 0.00 H new ATOM 0 HB2 CYS A 133 8.877 -21.625 1.313 1.00 0.00 H new ATOM 0 HB3 CYS A 133 7.253 -22.280 1.391 1.00 0.00 H new ATOM 2054 N THR A 134 9.818 -20.716 3.889 1.00 0.00 N ATOM 2055 CA THR A 134 11.077 -20.135 4.342 1.00 0.00 C ATOM 2056 C THR A 134 11.981 -19.805 3.156 1.00 0.00 C ATOM 2057 O THR A 134 12.131 -20.611 2.237 1.00 0.00 O ATOM 2058 CB THR A 134 11.794 -21.096 5.292 1.00 0.00 C ATOM 2059 OG1 THR A 134 10.984 -22.224 5.570 1.00 0.00 O ATOM 2060 CG2 THR A 134 12.166 -20.461 6.615 1.00 0.00 C ATOM 0 H THR A 134 9.704 -21.704 4.115 1.00 0.00 H new ATOM 0 HA THR A 134 10.852 -19.211 4.874 1.00 0.00 H new ATOM 0 HB THR A 134 12.709 -21.385 4.775 1.00 0.00 H new ATOM 0 HG1 THR A 134 11.067 -22.874 4.841 1.00 0.00 H new ATOM 0 HG21 THR A 134 12.671 -21.196 7.242 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.831 -19.616 6.439 1.00 0.00 H new ATOM 0 HG23 THR A 134 11.264 -20.114 7.118 1.00 0.00 H new ATOM 2068 N PRO A 135 12.600 -18.611 3.160 1.00 0.00 N ATOM 2069 CA PRO A 135 13.493 -18.180 2.079 1.00 0.00 C ATOM 2070 C PRO A 135 14.812 -18.948 2.078 1.00 0.00 C ATOM 2071 O PRO A 135 15.325 -19.318 3.134 1.00 0.00 O ATOM 2072 CB PRO A 135 13.736 -16.702 2.388 1.00 0.00 C ATOM 2073 CG PRO A 135 13.542 -16.587 3.860 1.00 0.00 C ATOM 2074 CD PRO A 135 12.479 -17.588 4.218 1.00 0.00 C ATOM 0 HA PRO A 135 13.059 -18.358 1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 135 14.741 -16.396 2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 135 13.038 -16.064 1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.470 -16.796 4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 135 13.236 -15.578 4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 135 12.645 -18.013 5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 135 11.488 -17.135 4.227 1.00 0.00 H new ATOM 2082 N PRO A 136 15.383 -19.198 0.885 1.00 0.00 N ATOM 2083 CA PRO A 136 16.651 -19.925 0.754 1.00 0.00 C ATOM 2084 C PRO A 136 17.837 -19.118 1.273 1.00 0.00 C ATOM 2085 O PRO A 136 18.351 -18.238 0.584 1.00 0.00 O ATOM 2086 CB PRO A 136 16.777 -20.153 -0.754 1.00 0.00 C ATOM 2087 CG PRO A 136 15.979 -19.058 -1.371 1.00 0.00 C ATOM 2088 CD PRO A 136 14.841 -18.792 -0.425 1.00 0.00 C ATOM 0 HA PRO A 136 16.656 -20.845 1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 136 17.818 -20.113 -1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 136 16.393 -21.132 -1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 136 16.586 -18.164 -1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 136 15.609 -19.350 -2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 136 14.550 -17.741 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 136 13.955 -19.369 -0.690 1.00 0.00 H new ATOM 2096 N ALA A 137 18.264 -19.425 2.494 1.00 0.00 N ATOM 2097 CA ALA A 137 19.389 -18.729 3.107 1.00 0.00 C ATOM 2098 C ALA A 137 20.709 -19.149 2.469 1.00 0.00 C ATOM 2099 O ALA A 137 21.134 -20.297 2.599 1.00 0.00 O ATOM 2100 CB ALA A 137 19.418 -18.992 4.606 1.00 0.00 C ATOM 0 H ALA A 137 17.848 -20.151 3.078 1.00 0.00 H new ATOM 0 HA ALA A 137 19.259 -17.660 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 137 20.263 -18.467 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 137 18.491 -18.636 5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 137 19.521 -20.062 4.786 1.00 0.00 H new ATOM 2106 N SER A 138 21.351 -18.211 1.779 1.00 0.00 N ATOM 2107 CA SER A 138 22.623 -18.484 1.120 1.00 0.00 C ATOM 2108 C SER A 138 23.729 -17.601 1.689 1.00 0.00 C ATOM 2109 O SER A 138 24.913 -17.886 1.512 1.00 0.00 O ATOM 2110 CB SER A 138 22.498 -18.257 -0.388 1.00 0.00 C ATOM 2111 OG SER A 138 23.714 -18.556 -1.051 1.00 0.00 O ATOM 0 H SER A 138 21.011 -17.256 1.662 1.00 0.00 H new ATOM 0 HA SER A 138 22.884 -19.526 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 138 21.699 -18.881 -0.788 1.00 0.00 H new ATOM 0 HB3 SER A 138 22.220 -17.221 -0.581 1.00 0.00 H new ATOM 0 HG SER A 138 23.608 -18.404 -2.013 1.00 0.00 H new ATOM 2117 N GLU A 139 23.332 -16.530 2.372 1.00 0.00 N ATOM 2118 CA GLU A 139 24.283 -15.598 2.970 1.00 0.00 C ATOM 2119 C GLU A 139 25.195 -14.987 1.909 1.00 0.00 C ATOM 2120 O GLU A 139 24.883 -13.942 1.337 1.00 0.00 O ATOM 2121 CB GLU A 139 25.118 -16.303 4.042 1.00 0.00 C ATOM 2122 CG GLU A 139 25.430 -15.426 5.245 1.00 0.00 C ATOM 2123 CD GLU A 139 26.295 -16.132 6.271 1.00 0.00 C ATOM 2124 OE1 GLU A 139 25.755 -16.955 7.037 1.00 0.00 O ATOM 2125 OE2 GLU A 139 27.514 -15.859 6.308 1.00 0.00 O ATOM 0 H GLU A 139 22.354 -16.286 2.525 1.00 0.00 H new ATOM 0 HA GLU A 139 23.716 -14.792 3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 139 24.585 -17.192 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 139 26.054 -16.642 3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 139 25.936 -14.521 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 139 24.497 -15.114 5.714 1.00 0.00 H new ATOM 2132 N GLY A 140 26.323 -15.644 1.649 1.00 0.00 N ATOM 2133 CA GLY A 140 27.258 -15.148 0.657 1.00 0.00 C ATOM 2134 C GLY A 140 28.559 -14.673 1.274 1.00 0.00 C ATOM 2135 O GLY A 140 29.600 -14.669 0.616 1.00 0.00 O ATOM 0 H GLY A 140 26.605 -16.510 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 140 27.469 -15.936 -0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 140 26.798 -14.326 0.108 1.00 0.00 H new ATOM 2139 N SER A 141 28.501 -14.270 2.539 1.00 0.00 N ATOM 2140 CA SER A 141 29.682 -13.790 3.245 1.00 0.00 C ATOM 2141 C SER A 141 30.599 -14.950 3.622 1.00 0.00 C ATOM 2142 O SER A 141 30.143 -16.076 3.822 1.00 0.00 O ATOM 2143 CB SER A 141 29.274 -13.020 4.503 1.00 0.00 C ATOM 2144 OG SER A 141 29.716 -11.675 4.442 1.00 0.00 O ATOM 0 H SER A 141 27.647 -14.267 3.097 1.00 0.00 H new ATOM 0 HA SER A 141 30.225 -13.121 2.578 1.00 0.00 H new ATOM 0 HB2 SER A 141 28.190 -13.045 4.613 1.00 0.00 H new ATOM 0 HB3 SER A 141 29.696 -13.505 5.383 1.00 0.00 H new ATOM 0 HG SER A 141 29.442 -11.203 5.256 1.00 0.00 H new ATOM 2150 N ALA A 142 31.895 -14.667 3.717 1.00 0.00 N ATOM 2151 CA ALA A 142 32.877 -15.685 4.070 1.00 0.00 C ATOM 2152 C ALA A 142 32.732 -16.105 5.528 1.00 0.00 C ATOM 2153 O ALA A 142 33.293 -15.473 6.424 1.00 0.00 O ATOM 2154 CB ALA A 142 34.284 -15.175 3.801 1.00 0.00 C ATOM 0 H ALA A 142 32.289 -13.740 3.554 1.00 0.00 H new ATOM 0 HA ALA A 142 32.696 -16.562 3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 142 35.008 -15.945 4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 142 34.387 -14.932 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 142 34.467 -14.281 4.398 1.00 0.00 H new ATOM 2160 N GLU A 143 31.975 -17.176 5.757 1.00 0.00 N ATOM 2161 CA GLU A 143 31.753 -17.686 7.106 1.00 0.00 C ATOM 2162 C GLU A 143 31.171 -16.605 8.012 1.00 0.00 C ATOM 2163 O GLU A 143 29.935 -16.422 7.994 1.00 0.00 O ATOM 2164 CB GLU A 143 33.061 -18.218 7.698 1.00 0.00 C ATOM 2165 CG GLU A 143 33.294 -19.695 7.427 1.00 0.00 C ATOM 2166 CD GLU A 143 33.711 -20.457 8.671 1.00 0.00 C ATOM 2167 OE1 GLU A 143 32.830 -20.774 9.497 1.00 0.00 O ATOM 2168 OE2 GLU A 143 34.920 -20.735 8.819 1.00 0.00 O ATOM 2169 OXT GLU A 143 31.954 -15.950 8.732 1.00 0.00 O ATOM 0 H GLU A 143 31.505 -17.707 5.024 1.00 0.00 H new ATOM 0 HA GLU A 143 31.034 -18.503 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 143 33.894 -17.646 7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 143 33.057 -18.051 8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 143 32.382 -20.135 7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 143 34.064 -19.804 6.663 1.00 0.00 H new TER 2176 GLU A 143