USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 810 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 29 SER OG : rot 3:sc= 0.294 USER MOD Set 1.2: A 31 LYS NZ :NH3+ 180:sc= 0.292 (180deg=-0.0745) USER MOD Single : A 2 SER OG : rot -164:sc= 1.1 USER MOD Single : A 4 ASN : amide:sc= -0.0707 X(o=-0.071,f=-0.14) USER MOD Single : A 11 GLN : amide:sc= -0.892 K(o=-0.89,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -106:sc= 1.18 (180deg=-0.299!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 172:sc= 1.12 USER MOD Single : A 26 LYS NZ :NH3+ 146:sc= 0.988 (180deg=0.696) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.169 USER MOD Single : A 35 GLN : amide:sc=-0.000958 K(o=-0.00096,f=-0.8) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 170:sc= -0.0263 (180deg=-0.328) USER MOD Single : A 62 THR OG1 : rot -50:sc= -0.938 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.067 X(o=-0.067,f=-0.23) USER MOD Single : A 72 ASN : amide:sc= -0.569 K(o=-0.57,f=-3.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.751 K(o=0.75,f=-0.33) USER MOD Single : A 79 LYS NZ :NH3+ -133:sc= 0.726 (180deg=0.37) USER MOD Single : A 90 LYS NZ :NH3+ 142:sc= 1.15 (180deg=0.906) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 25:sc= 0.228 USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= 1.11 (180deg=0.93) USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N SER A 2 -5.012 21.585 -1.694 1.00 0.00 N ATOM 15 CA SER A 2 -5.305 20.172 -1.856 1.00 0.00 C ATOM 16 C SER A 2 -4.242 19.510 -2.725 1.00 0.00 C ATOM 17 O SER A 2 -3.348 20.180 -3.249 1.00 0.00 O ATOM 18 CB SER A 2 -6.685 19.999 -2.486 1.00 0.00 C ATOM 19 OG SER A 2 -7.679 20.668 -1.728 1.00 0.00 O ATOM 0 HA SER A 2 -5.300 19.694 -0.877 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.675 20.389 -3.504 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.927 18.938 -2.554 1.00 0.00 H new ATOM 0 HG SER A 2 -8.566 20.348 -1.996 1.00 0.00 H new ATOM 25 N ARG A 3 -4.331 18.203 -2.871 1.00 0.00 N ATOM 26 CA ARG A 3 -3.387 17.469 -3.691 1.00 0.00 C ATOM 27 C ARG A 3 -4.111 16.377 -4.458 1.00 0.00 C ATOM 28 O ARG A 3 -5.079 15.800 -3.961 1.00 0.00 O ATOM 29 CB ARG A 3 -2.302 16.857 -2.811 1.00 0.00 C ATOM 30 CG ARG A 3 -0.975 16.669 -3.518 1.00 0.00 C ATOM 31 CD ARG A 3 -0.347 18.010 -3.834 1.00 0.00 C ATOM 32 NE ARG A 3 0.973 17.875 -4.431 1.00 0.00 N ATOM 33 CZ ARG A 3 2.089 18.319 -3.860 1.00 0.00 C ATOM 34 NH1 ARG A 3 2.057 18.809 -2.621 1.00 0.00 N ATOM 35 NH2 ARG A 3 3.240 18.241 -4.515 1.00 0.00 N ATOM 0 H ARG A 3 -5.049 17.626 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.923 18.153 -4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.152 17.494 -1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.647 15.891 -2.444 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.302 16.084 -2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.124 16.105 -4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.996 18.561 -4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.271 18.598 -2.919 1.00 0.00 H new ATOM 0 HE ARG A 3 1.047 17.414 -5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.176 18.844 -2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.914 19.149 -2.185 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.267 17.842 -5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.098 18.580 -4.080 1.00 0.00 H new ATOM 49 N ASN A 4 -3.653 16.104 -5.669 1.00 0.00 N ATOM 50 CA ASN A 4 -4.245 15.055 -6.479 1.00 0.00 C ATOM 51 C ASN A 4 -3.450 13.763 -6.337 1.00 0.00 C ATOM 52 O ASN A 4 -2.220 13.765 -6.409 1.00 0.00 O ATOM 53 CB ASN A 4 -4.320 15.471 -7.956 1.00 0.00 C ATOM 54 CG ASN A 4 -2.957 15.753 -8.570 1.00 0.00 C ATOM 55 OD1 ASN A 4 -2.459 16.878 -8.509 1.00 0.00 O ATOM 56 ND2 ASN A 4 -2.350 14.742 -9.175 1.00 0.00 N ATOM 0 H ASN A 4 -2.875 16.594 -6.111 1.00 0.00 H new ATOM 0 HA ASN A 4 -5.261 14.887 -6.121 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.811 14.681 -8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.942 16.361 -8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.438 14.882 -9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.794 13.824 -9.205 1.00 0.00 H new ATOM 63 N PRO A 5 -4.141 12.649 -6.093 1.00 0.00 N ATOM 64 CA PRO A 5 -3.528 11.333 -6.062 1.00 0.00 C ATOM 65 C PRO A 5 -3.573 10.677 -7.437 1.00 0.00 C ATOM 66 O PRO A 5 -3.620 11.363 -8.459 1.00 0.00 O ATOM 67 CB PRO A 5 -4.425 10.588 -5.081 1.00 0.00 C ATOM 68 CG PRO A 5 -5.785 11.172 -5.295 1.00 0.00 C ATOM 69 CD PRO A 5 -5.583 12.582 -5.806 1.00 0.00 C ATOM 0 HA PRO A 5 -2.475 11.346 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.419 9.515 -5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -4.091 10.728 -4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -6.351 10.579 -6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -6.354 11.176 -4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.178 12.773 -6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.878 13.323 -5.063 1.00 0.00 H new ATOM 77 N GLU A 6 -3.548 9.355 -7.462 1.00 0.00 N ATOM 78 CA GLU A 6 -3.797 8.620 -8.683 1.00 0.00 C ATOM 79 C GLU A 6 -4.716 7.448 -8.382 1.00 0.00 C ATOM 80 O GLU A 6 -4.552 6.749 -7.376 1.00 0.00 O ATOM 81 CB GLU A 6 -2.494 8.158 -9.340 1.00 0.00 C ATOM 82 CG GLU A 6 -1.676 7.195 -8.509 1.00 0.00 C ATOM 83 CD GLU A 6 -0.352 6.876 -9.162 1.00 0.00 C ATOM 84 OE1 GLU A 6 -0.360 6.392 -10.313 1.00 0.00 O ATOM 85 OE2 GLU A 6 0.703 7.114 -8.536 1.00 0.00 O ATOM 0 H GLU A 6 -3.357 8.771 -6.648 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.286 9.280 -9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.731 7.684 -10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.884 9.034 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.501 7.624 -7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.239 6.274 -8.360 1.00 0.00 H new ATOM 92 N VAL A 7 -5.701 7.267 -9.234 1.00 0.00 N ATOM 93 CA VAL A 7 -6.738 6.280 -9.015 1.00 0.00 C ATOM 94 C VAL A 7 -6.660 5.186 -10.067 1.00 0.00 C ATOM 95 O VAL A 7 -6.912 5.425 -11.248 1.00 0.00 O ATOM 96 CB VAL A 7 -8.140 6.926 -9.059 1.00 0.00 C ATOM 97 CG1 VAL A 7 -9.214 5.909 -8.712 1.00 0.00 C ATOM 98 CG2 VAL A 7 -8.216 8.127 -8.127 1.00 0.00 C ATOM 0 H VAL A 7 -5.807 7.799 -10.098 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.579 5.849 -8.026 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.317 7.276 -10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.193 6.387 -8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.183 5.088 -9.429 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.037 5.521 -7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -9.213 8.564 -8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.010 7.808 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.479 8.870 -8.431 1.00 0.00 H new ATOM 108 N LEU A 8 -6.298 3.996 -9.632 1.00 0.00 N ATOM 109 CA LEU A 8 -6.245 2.842 -10.508 1.00 0.00 C ATOM 110 C LEU A 8 -7.585 2.133 -10.460 1.00 0.00 C ATOM 111 O LEU A 8 -7.978 1.641 -9.408 1.00 0.00 O ATOM 112 CB LEU A 8 -5.152 1.887 -10.036 1.00 0.00 C ATOM 113 CG LEU A 8 -3.761 2.498 -9.860 1.00 0.00 C ATOM 114 CD1 LEU A 8 -3.059 1.885 -8.658 1.00 0.00 C ATOM 115 CD2 LEU A 8 -2.921 2.284 -11.106 1.00 0.00 C ATOM 0 H LEU A 8 -6.033 3.802 -8.666 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.025 3.162 -11.526 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.461 1.454 -9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.080 1.067 -10.750 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.881 3.569 -9.695 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.071 2.331 -8.547 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.645 2.074 -7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.957 0.810 -8.805 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.935 2.726 -10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.815 1.216 -11.295 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.408 2.757 -11.959 1.00 0.00 H new ATOM 127 N TRP A 9 -8.299 2.081 -11.568 1.00 0.00 N ATOM 128 CA TRP A 9 -9.636 1.515 -11.530 1.00 0.00 C ATOM 129 C TRP A 9 -9.681 0.097 -12.081 1.00 0.00 C ATOM 130 O TRP A 9 -8.917 -0.279 -12.972 1.00 0.00 O ATOM 131 CB TRP A 9 -10.661 2.420 -12.236 1.00 0.00 C ATOM 132 CG TRP A 9 -10.685 2.345 -13.737 1.00 0.00 C ATOM 133 CD1 TRP A 9 -9.727 2.780 -14.604 1.00 0.00 C ATOM 134 CD2 TRP A 9 -11.755 1.839 -14.545 1.00 0.00 C ATOM 135 NE1 TRP A 9 -10.130 2.568 -15.903 1.00 0.00 N ATOM 136 CE2 TRP A 9 -11.373 1.991 -15.893 1.00 0.00 C ATOM 137 CE3 TRP A 9 -12.996 1.264 -14.259 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -12.193 1.595 -16.949 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -13.809 0.874 -15.307 1.00 0.00 C ATOM 140 CH2 TRP A 9 -13.406 1.040 -16.638 1.00 0.00 C ATOM 0 H TRP A 9 -7.989 2.413 -12.481 1.00 0.00 H new ATOM 0 HA TRP A 9 -9.915 1.458 -10.478 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -11.654 2.169 -11.864 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.464 3.452 -11.947 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.787 3.226 -14.314 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.591 2.802 -16.737 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -13.315 1.127 -13.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.883 1.721 -17.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -14.772 0.433 -15.096 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -14.064 0.724 -17.434 1.00 0.00 H new ATOM 151 N ALA A 10 -10.568 -0.681 -11.484 1.00 0.00 N ATOM 152 CA ALA A 10 -10.868 -2.038 -11.894 1.00 0.00 C ATOM 153 C ALA A 10 -12.326 -2.314 -11.552 1.00 0.00 C ATOM 154 O ALA A 10 -13.042 -1.397 -11.157 1.00 0.00 O ATOM 155 CB ALA A 10 -9.947 -3.028 -11.195 1.00 0.00 C ATOM 0 H ALA A 10 -11.113 -0.375 -10.678 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.707 -2.154 -12.966 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.190 -4.041 -11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.911 -2.804 -11.450 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.080 -2.949 -10.116 1.00 0.00 H new ATOM 161 N GLN A 11 -12.784 -3.546 -11.676 1.00 0.00 N ATOM 162 CA GLN A 11 -14.180 -3.836 -11.378 1.00 0.00 C ATOM 163 C GLN A 11 -14.412 -5.307 -11.090 1.00 0.00 C ATOM 164 O GLN A 11 -13.519 -6.136 -11.255 1.00 0.00 O ATOM 165 CB GLN A 11 -15.080 -3.397 -12.536 1.00 0.00 C ATOM 166 CG GLN A 11 -14.714 -4.030 -13.869 1.00 0.00 C ATOM 167 CD GLN A 11 -15.700 -3.687 -14.971 1.00 0.00 C ATOM 168 OE1 GLN A 11 -15.898 -4.461 -15.902 1.00 0.00 O ATOM 169 NE2 GLN A 11 -16.331 -2.527 -14.869 1.00 0.00 N ATOM 0 H GLN A 11 -12.227 -4.347 -11.974 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.433 -3.272 -10.480 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.113 -3.648 -12.296 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.029 -2.312 -12.633 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.718 -3.699 -14.162 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.668 -5.113 -13.752 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.139 -1.910 -14.080 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.009 -2.251 -15.580 1.00 0.00 H new ATOM 178 N ARG A 12 -15.613 -5.597 -10.619 1.00 0.00 N ATOM 179 CA ARG A 12 -16.111 -6.952 -10.484 1.00 0.00 C ATOM 180 C ARG A 12 -17.549 -6.986 -10.987 1.00 0.00 C ATOM 181 O ARG A 12 -18.044 -5.976 -11.487 1.00 0.00 O ATOM 182 CB ARG A 12 -16.028 -7.438 -9.029 1.00 0.00 C ATOM 183 CG ARG A 12 -14.619 -7.813 -8.591 1.00 0.00 C ATOM 184 CD ARG A 12 -13.971 -8.749 -9.600 1.00 0.00 C ATOM 185 NE ARG A 12 -12.660 -9.240 -9.173 1.00 0.00 N ATOM 186 CZ ARG A 12 -11.535 -8.525 -9.195 1.00 0.00 C ATOM 187 NH1 ARG A 12 -11.554 -7.236 -9.532 1.00 0.00 N ATOM 188 NH2 ARG A 12 -10.384 -9.109 -8.894 1.00 0.00 N ATOM 0 H ARG A 12 -16.278 -4.886 -10.316 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.493 -7.626 -11.077 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -16.408 -6.656 -8.371 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -16.680 -8.303 -8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.015 -6.912 -8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.653 -8.293 -7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.631 -9.599 -9.773 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.864 -8.229 -10.552 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.603 -10.200 -8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.436 -6.786 -9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.687 -6.699 -9.545 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.363 -10.099 -8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.519 -8.569 -8.909 1.00 0.00 H new ATOM 202 N SER A 13 -18.212 -8.126 -10.859 1.00 0.00 N ATOM 203 CA SER A 13 -19.568 -8.288 -11.371 1.00 0.00 C ATOM 204 C SER A 13 -20.527 -7.248 -10.777 1.00 0.00 C ATOM 205 O SER A 13 -21.267 -6.588 -11.507 1.00 0.00 O ATOM 206 CB SER A 13 -20.075 -9.704 -11.082 1.00 0.00 C ATOM 207 OG SER A 13 -21.338 -9.939 -11.688 1.00 0.00 O ATOM 0 H SER A 13 -17.833 -8.956 -10.404 1.00 0.00 H new ATOM 0 HA SER A 13 -19.537 -8.130 -12.449 1.00 0.00 H new ATOM 0 HB2 SER A 13 -19.353 -10.432 -11.450 1.00 0.00 H new ATOM 0 HB3 SER A 13 -20.154 -9.850 -10.005 1.00 0.00 H new ATOM 0 HG SER A 13 -21.633 -10.851 -11.486 1.00 0.00 H new ATOM 213 N ASP A 14 -20.506 -7.089 -9.460 1.00 0.00 N ATOM 214 CA ASP A 14 -21.448 -6.193 -8.798 1.00 0.00 C ATOM 215 C ASP A 14 -20.832 -4.825 -8.511 1.00 0.00 C ATOM 216 O ASP A 14 -21.471 -3.795 -8.737 1.00 0.00 O ATOM 217 CB ASP A 14 -21.966 -6.815 -7.495 1.00 0.00 C ATOM 218 CG ASP A 14 -20.925 -6.832 -6.392 1.00 0.00 C ATOM 219 OD1 ASP A 14 -19.958 -7.621 -6.489 1.00 0.00 O ATOM 220 OD2 ASP A 14 -21.061 -6.051 -5.427 1.00 0.00 O ATOM 0 H ASP A 14 -19.855 -7.563 -8.834 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.283 -6.047 -9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -22.839 -6.258 -7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -22.296 -7.835 -7.692 1.00 0.00 H new ATOM 225 N LYS A 15 -19.592 -4.810 -8.044 1.00 0.00 N ATOM 226 CA LYS A 15 -18.980 -3.577 -7.566 1.00 0.00 C ATOM 227 C LYS A 15 -17.757 -3.188 -8.388 1.00 0.00 C ATOM 228 O LYS A 15 -17.148 -4.018 -9.059 1.00 0.00 O ATOM 229 CB LYS A 15 -18.595 -3.717 -6.092 1.00 0.00 C ATOM 230 CG LYS A 15 -17.680 -4.899 -5.805 1.00 0.00 C ATOM 231 CD LYS A 15 -17.253 -4.941 -4.345 1.00 0.00 C ATOM 232 CE LYS A 15 -18.430 -5.172 -3.407 1.00 0.00 C ATOM 233 NZ LYS A 15 -19.124 -6.461 -3.675 1.00 0.00 N ATOM 0 H LYS A 15 -18.992 -5.633 -7.986 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.718 -2.783 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.102 -2.801 -5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.503 -3.820 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.193 -5.826 -6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.797 -4.838 -6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.519 -5.734 -4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.762 -4.003 -4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.077 -5.160 -2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.140 -4.352 -3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.031 -6.275 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.529 -7.054 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.297 -6.956 -2.777 1.00 0.00 H new ATOM 247 N VAL A 16 -17.413 -1.913 -8.317 1.00 0.00 N ATOM 248 CA VAL A 16 -16.252 -1.368 -9.000 1.00 0.00 C ATOM 249 C VAL A 16 -15.105 -1.182 -8.005 1.00 0.00 C ATOM 250 O VAL A 16 -15.331 -0.791 -6.856 1.00 0.00 O ATOM 251 CB VAL A 16 -16.591 -0.011 -9.664 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.392 0.571 -10.397 1.00 0.00 C ATOM 253 CG2 VAL A 16 -17.774 -0.160 -10.608 1.00 0.00 C ATOM 0 H VAL A 16 -17.936 -1.222 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.950 -2.069 -9.778 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.861 0.686 -8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.669 1.523 -10.850 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.576 0.729 -9.692 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.070 -0.121 -11.175 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -17.998 0.804 -11.066 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -17.530 -0.883 -11.386 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.643 -0.507 -10.050 1.00 0.00 H new ATOM 263 N TYR A 17 -13.887 -1.469 -8.440 1.00 0.00 N ATOM 264 CA TYR A 17 -12.719 -1.380 -7.573 1.00 0.00 C ATOM 265 C TYR A 17 -11.899 -0.142 -7.887 1.00 0.00 C ATOM 266 O TYR A 17 -11.510 0.089 -9.031 1.00 0.00 O ATOM 267 CB TYR A 17 -11.844 -2.628 -7.713 1.00 0.00 C ATOM 268 CG TYR A 17 -12.272 -3.777 -6.829 1.00 0.00 C ATOM 269 CD1 TYR A 17 -13.585 -4.224 -6.815 1.00 0.00 C ATOM 270 CD2 TYR A 17 -11.353 -4.420 -6.011 1.00 0.00 C ATOM 271 CE1 TYR A 17 -13.972 -5.278 -6.010 1.00 0.00 C ATOM 272 CE2 TYR A 17 -11.731 -5.475 -5.201 1.00 0.00 C ATOM 273 CZ TYR A 17 -13.042 -5.901 -5.207 1.00 0.00 C ATOM 274 OH TYR A 17 -13.425 -6.952 -4.404 1.00 0.00 O ATOM 0 H TYR A 17 -13.680 -1.767 -9.393 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.076 -1.310 -6.546 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.860 -2.956 -8.752 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.813 -2.365 -7.477 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.317 -3.740 -7.444 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.325 -4.090 -6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.999 -5.612 -6.010 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.004 -5.962 -4.568 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.650 -7.280 -3.902 1.00 0.00 H new ATOM 284 N LEU A 18 -11.656 0.654 -6.869 1.00 0.00 N ATOM 285 CA LEU A 18 -10.831 1.840 -7.003 1.00 0.00 C ATOM 286 C LEU A 18 -9.591 1.736 -6.132 1.00 0.00 C ATOM 287 O LEU A 18 -9.672 1.799 -4.914 1.00 0.00 O ATOM 288 CB LEU A 18 -11.636 3.083 -6.624 1.00 0.00 C ATOM 289 CG LEU A 18 -12.600 3.591 -7.701 1.00 0.00 C ATOM 290 CD1 LEU A 18 -13.133 4.965 -7.334 1.00 0.00 C ATOM 291 CD2 LEU A 18 -11.929 3.630 -9.066 1.00 0.00 C ATOM 0 H LEU A 18 -12.021 0.501 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.514 1.923 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.207 2.865 -5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.940 3.884 -6.375 1.00 0.00 H new ATOM 0 HG LEU A 18 -13.437 2.895 -7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.816 5.310 -8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.663 4.908 -6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.303 5.665 -7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.638 3.995 -9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.067 4.296 -9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.601 2.627 -9.339 1.00 0.00 H new ATOM 303 N THR A 19 -8.447 1.582 -6.756 1.00 0.00 N ATOM 304 CA THR A 19 -7.204 1.459 -6.028 1.00 0.00 C ATOM 305 C THR A 19 -6.448 2.784 -6.054 1.00 0.00 C ATOM 306 O THR A 19 -5.849 3.152 -7.062 1.00 0.00 O ATOM 307 CB THR A 19 -6.340 0.336 -6.626 1.00 0.00 C ATOM 308 OG1 THR A 19 -7.085 -0.888 -6.636 1.00 0.00 O ATOM 309 CG2 THR A 19 -5.058 0.142 -5.835 1.00 0.00 C ATOM 0 H THR A 19 -8.350 1.539 -7.770 1.00 0.00 H new ATOM 0 HA THR A 19 -7.429 1.205 -4.992 1.00 0.00 H new ATOM 0 HB THR A 19 -6.072 0.620 -7.644 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.585 -1.571 -7.130 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.471 -0.659 -6.284 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.480 1.066 -5.847 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.302 -0.121 -4.806 1.00 0.00 H new ATOM 317 N VAL A 20 -6.506 3.508 -4.951 1.00 0.00 N ATOM 318 CA VAL A 20 -5.878 4.813 -4.866 1.00 0.00 C ATOM 319 C VAL A 20 -4.571 4.729 -4.095 1.00 0.00 C ATOM 320 O VAL A 20 -4.525 4.193 -2.984 1.00 0.00 O ATOM 321 CB VAL A 20 -6.816 5.837 -4.188 1.00 0.00 C ATOM 322 CG1 VAL A 20 -6.154 7.205 -4.072 1.00 0.00 C ATOM 323 CG2 VAL A 20 -8.122 5.946 -4.956 1.00 0.00 C ATOM 0 H VAL A 20 -6.983 3.213 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.672 5.148 -5.883 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.027 5.481 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.840 7.902 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.246 7.120 -3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.902 7.573 -5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.772 6.671 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.918 6.272 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.614 4.973 -4.977 1.00 0.00 H new ATOM 333 N ALA A 21 -3.510 5.262 -4.683 1.00 0.00 N ATOM 334 CA ALA A 21 -2.205 5.245 -4.046 1.00 0.00 C ATOM 335 C ALA A 21 -2.139 6.310 -2.965 1.00 0.00 C ATOM 336 O ALA A 21 -1.859 7.480 -3.242 1.00 0.00 O ATOM 337 CB ALA A 21 -1.103 5.458 -5.073 1.00 0.00 C ATOM 0 H ALA A 21 -3.529 5.711 -5.599 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.055 4.268 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.134 5.442 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.142 4.663 -5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.243 6.422 -5.563 1.00 0.00 H new ATOM 343 N LEU A 22 -2.412 5.905 -1.736 1.00 0.00 N ATOM 344 CA LEU A 22 -2.456 6.826 -0.617 1.00 0.00 C ATOM 345 C LEU A 22 -1.942 6.132 0.644 1.00 0.00 C ATOM 346 O LEU A 22 -2.622 5.277 1.206 1.00 0.00 O ATOM 347 CB LEU A 22 -3.892 7.315 -0.409 1.00 0.00 C ATOM 348 CG LEU A 22 -4.028 8.650 0.321 1.00 0.00 C ATOM 349 CD1 LEU A 22 -3.397 9.766 -0.496 1.00 0.00 C ATOM 350 CD2 LEU A 22 -5.490 8.962 0.609 1.00 0.00 C ATOM 0 H LEU A 22 -2.608 4.935 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.819 7.685 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.373 7.402 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.439 6.556 0.151 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.502 8.575 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.502 10.711 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.339 9.551 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.897 9.837 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.563 9.917 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.042 9.017 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.914 8.176 1.234 1.00 0.00 H new ATOM 362 N PRO A 23 -0.724 6.482 1.088 1.00 0.00 N ATOM 363 CA PRO A 23 -0.070 5.815 2.221 1.00 0.00 C ATOM 364 C PRO A 23 -0.735 6.093 3.577 1.00 0.00 C ATOM 365 O PRO A 23 -1.483 5.258 4.093 1.00 0.00 O ATOM 366 CB PRO A 23 1.357 6.374 2.190 1.00 0.00 C ATOM 367 CG PRO A 23 1.250 7.682 1.479 1.00 0.00 C ATOM 368 CD PRO A 23 0.113 7.544 0.504 1.00 0.00 C ATOM 0 HA PRO A 23 -0.127 4.731 2.122 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.751 6.505 3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.034 5.697 1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.061 8.492 2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.179 7.920 0.961 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.440 8.477 0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.469 7.272 -0.490 1.00 0.00 H new ATOM 376 N ASP A 24 -0.470 7.263 4.150 1.00 0.00 N ATOM 377 CA ASP A 24 -0.971 7.595 5.479 1.00 0.00 C ATOM 378 C ASP A 24 -2.264 8.389 5.369 1.00 0.00 C ATOM 379 O ASP A 24 -2.263 9.621 5.435 1.00 0.00 O ATOM 380 CB ASP A 24 0.074 8.388 6.267 1.00 0.00 C ATOM 381 CG ASP A 24 -0.290 8.547 7.728 1.00 0.00 C ATOM 382 OD1 ASP A 24 0.084 7.669 8.534 1.00 0.00 O ATOM 383 OD2 ASP A 24 -0.947 9.549 8.080 1.00 0.00 O ATOM 0 H ASP A 24 0.089 7.997 3.715 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.173 6.667 6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.038 7.886 6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.191 9.374 5.817 1.00 0.00 H new ATOM 388 N ALA A 25 -3.362 7.677 5.173 1.00 0.00 N ATOM 389 CA ALA A 25 -4.645 8.309 4.924 1.00 0.00 C ATOM 390 C ALA A 25 -5.482 8.414 6.193 1.00 0.00 C ATOM 391 O ALA A 25 -5.656 7.438 6.923 1.00 0.00 O ATOM 392 CB ALA A 25 -5.400 7.548 3.853 1.00 0.00 C ATOM 0 H ALA A 25 -3.389 6.657 5.182 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.454 9.324 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.361 8.030 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.818 7.544 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.564 6.522 4.183 1.00 0.00 H new ATOM 398 N LYS A 26 -6.003 9.606 6.425 1.00 0.00 N ATOM 399 CA LYS A 26 -6.813 9.914 7.592 1.00 0.00 C ATOM 400 C LYS A 26 -7.886 10.918 7.192 1.00 0.00 C ATOM 401 O LYS A 26 -7.849 11.441 6.076 1.00 0.00 O ATOM 402 CB LYS A 26 -5.944 10.510 8.709 1.00 0.00 C ATOM 403 CG LYS A 26 -4.944 9.536 9.315 1.00 0.00 C ATOM 404 CD LYS A 26 -4.012 10.240 10.291 1.00 0.00 C ATOM 405 CE LYS A 26 -3.120 9.258 11.036 1.00 0.00 C ATOM 406 NZ LYS A 26 -2.270 8.456 10.118 1.00 0.00 N ATOM 0 H LYS A 26 -5.873 10.400 5.798 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.272 8.998 7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.402 11.368 8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.595 10.882 9.500 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.477 8.737 9.830 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.359 9.070 8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.392 10.954 9.749 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.602 10.810 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.483 9.805 11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.740 8.588 11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.355 8.263 10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.746 7.557 9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.114 8.986 9.237 1.00 0.00 H new ATOM 420 N ASP A 27 -8.830 11.175 8.096 1.00 0.00 N ATOM 421 CA ASP A 27 -9.896 12.160 7.869 1.00 0.00 C ATOM 422 C ASP A 27 -10.616 11.881 6.549 1.00 0.00 C ATOM 423 O ASP A 27 -11.074 12.789 5.858 1.00 0.00 O ATOM 424 CB ASP A 27 -9.312 13.577 7.885 1.00 0.00 C ATOM 425 CG ASP A 27 -10.372 14.641 8.084 1.00 0.00 C ATOM 426 OD1 ASP A 27 -11.187 14.501 9.024 1.00 0.00 O ATOM 427 OD2 ASP A 27 -10.390 15.625 7.315 1.00 0.00 O ATOM 0 H ASP A 27 -8.881 10.711 9.003 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.628 12.078 8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.572 13.652 8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.789 13.761 6.947 1.00 0.00 H new ATOM 432 N ILE A 28 -10.731 10.601 6.224 1.00 0.00 N ATOM 433 CA ILE A 28 -11.299 10.177 4.957 1.00 0.00 C ATOM 434 C ILE A 28 -12.823 10.263 4.984 1.00 0.00 C ATOM 435 O ILE A 28 -13.482 9.576 5.769 1.00 0.00 O ATOM 436 CB ILE A 28 -10.878 8.732 4.612 1.00 0.00 C ATOM 437 CG1 ILE A 28 -9.350 8.612 4.544 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.501 8.296 3.289 1.00 0.00 C ATOM 439 CD1 ILE A 28 -8.871 7.186 4.387 1.00 0.00 C ATOM 0 H ILE A 28 -10.435 9.834 6.828 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.915 10.851 4.191 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.240 8.075 5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.982 9.206 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.918 9.036 5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.194 7.275 3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.587 8.339 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.167 8.962 2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.782 7.171 4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.210 6.593 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.275 6.766 3.466 1.00 0.00 H new ATOM 451 N SER A 29 -13.366 11.122 4.136 1.00 0.00 N ATOM 452 CA SER A 29 -14.801 11.223 3.960 1.00 0.00 C ATOM 453 C SER A 29 -15.132 11.136 2.474 1.00 0.00 C ATOM 454 O SER A 29 -14.755 12.007 1.685 1.00 0.00 O ATOM 455 CB SER A 29 -15.327 12.532 4.555 1.00 0.00 C ATOM 456 OG SER A 29 -16.746 12.534 4.617 1.00 0.00 O ATOM 0 H SER A 29 -12.826 11.764 3.555 1.00 0.00 H new ATOM 0 HA SER A 29 -15.286 10.400 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.916 12.671 5.555 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.986 13.372 3.951 1.00 0.00 H new ATOM 0 HG SER A 29 -17.088 11.670 4.305 1.00 0.00 H new ATOM 462 N VAL A 30 -15.819 10.076 2.091 1.00 0.00 N ATOM 463 CA VAL A 30 -16.095 9.819 0.686 1.00 0.00 C ATOM 464 C VAL A 30 -17.511 10.239 0.319 1.00 0.00 C ATOM 465 O VAL A 30 -18.481 9.681 0.837 1.00 0.00 O ATOM 466 CB VAL A 30 -15.918 8.327 0.347 1.00 0.00 C ATOM 467 CG1 VAL A 30 -16.024 8.097 -1.160 1.00 0.00 C ATOM 468 CG2 VAL A 30 -14.588 7.811 0.889 1.00 0.00 C ATOM 0 H VAL A 30 -16.197 9.378 2.731 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.381 10.408 0.110 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.720 7.767 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -15.896 7.036 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -17.004 8.423 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -15.248 8.668 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.479 6.755 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.769 8.375 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.564 7.933 1.972 1.00 0.00 H new ATOM 478 N LYS A 31 -17.632 11.218 -0.571 1.00 0.00 N ATOM 479 CA LYS A 31 -18.937 11.639 -1.059 1.00 0.00 C ATOM 480 C LYS A 31 -19.061 11.293 -2.534 1.00 0.00 C ATOM 481 O LYS A 31 -18.387 11.895 -3.366 1.00 0.00 O ATOM 482 CB LYS A 31 -19.140 13.145 -0.871 1.00 0.00 C ATOM 483 CG LYS A 31 -19.065 13.614 0.574 1.00 0.00 C ATOM 484 CD LYS A 31 -20.062 12.884 1.465 1.00 0.00 C ATOM 485 CE LYS A 31 -20.213 13.565 2.819 1.00 0.00 C ATOM 486 NZ LYS A 31 -18.905 13.783 3.485 1.00 0.00 N ATOM 0 H LYS A 31 -16.845 11.732 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.702 11.116 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.386 13.676 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -20.112 13.422 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.056 13.456 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.258 14.686 0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -21.031 12.843 0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.734 11.855 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.716 14.523 2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.849 12.956 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.056 14.249 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.435 12.868 3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.306 14.386 2.885 1.00 0.00 H new ATOM 500 N CYS A 32 -19.876 10.291 -2.841 1.00 0.00 N ATOM 501 CA CYS A 32 -20.132 9.896 -4.226 1.00 0.00 C ATOM 502 C CYS A 32 -21.637 9.855 -4.514 1.00 0.00 C ATOM 503 O CYS A 32 -22.402 9.353 -3.691 1.00 0.00 O ATOM 504 CB CYS A 32 -19.503 8.531 -4.503 1.00 0.00 C ATOM 505 SG CYS A 32 -17.711 8.492 -4.259 1.00 0.00 S ATOM 0 H CYS A 32 -20.374 9.733 -2.148 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.681 10.638 -4.885 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -19.965 7.789 -3.852 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -19.727 8.239 -5.529 1.00 0.00 H new ATOM 0 HG CYS A 32 -17.264 7.298 -4.514 1.00 0.00 H new ATOM 511 N GLU A 33 -22.065 10.389 -5.667 1.00 0.00 N ATOM 512 CA GLU A 33 -23.452 10.274 -6.080 1.00 0.00 C ATOM 513 C GLU A 33 -23.555 9.238 -7.187 1.00 0.00 C ATOM 514 O GLU A 33 -22.536 8.858 -7.768 1.00 0.00 O ATOM 515 CB GLU A 33 -23.995 11.627 -6.557 1.00 0.00 C ATOM 516 CG GLU A 33 -24.453 12.534 -5.427 1.00 0.00 C ATOM 517 CD GLU A 33 -25.580 11.929 -4.612 1.00 0.00 C ATOM 518 OE1 GLU A 33 -26.729 11.903 -5.107 1.00 0.00 O ATOM 519 OE2 GLU A 33 -25.327 11.473 -3.482 1.00 0.00 O ATOM 0 H GLU A 33 -21.468 10.899 -6.319 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.054 9.959 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.221 12.138 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -24.831 11.455 -7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -23.608 12.745 -4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -24.781 13.487 -5.842 1.00 0.00 H new ATOM 526 N PRO A 34 -24.775 8.768 -7.509 1.00 0.00 N ATOM 527 CA PRO A 34 -24.989 7.771 -8.569 1.00 0.00 C ATOM 528 C PRO A 34 -24.636 8.320 -9.952 1.00 0.00 C ATOM 529 O PRO A 34 -24.786 7.637 -10.966 1.00 0.00 O ATOM 530 CB PRO A 34 -26.490 7.468 -8.480 1.00 0.00 C ATOM 531 CG PRO A 34 -27.083 8.667 -7.833 1.00 0.00 C ATOM 532 CD PRO A 34 -26.044 9.165 -6.872 1.00 0.00 C ATOM 0 HA PRO A 34 -24.358 6.892 -8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -26.918 7.299 -9.468 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -26.678 6.569 -7.893 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -27.330 9.429 -8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -28.008 8.415 -7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -26.106 10.245 -6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -26.158 8.713 -5.887 1.00 0.00 H new ATOM 540 N GLN A 35 -24.162 9.559 -9.965 1.00 0.00 N ATOM 541 CA GLN A 35 -23.765 10.242 -11.183 1.00 0.00 C ATOM 542 C GLN A 35 -22.412 10.932 -10.984 1.00 0.00 C ATOM 543 O GLN A 35 -21.925 11.634 -11.867 1.00 0.00 O ATOM 544 CB GLN A 35 -24.831 11.272 -11.575 1.00 0.00 C ATOM 545 CG GLN A 35 -24.999 12.392 -10.558 1.00 0.00 C ATOM 546 CD GLN A 35 -26.183 13.294 -10.861 1.00 0.00 C ATOM 547 OE1 GLN A 35 -27.197 12.855 -11.400 1.00 0.00 O ATOM 548 NE2 GLN A 35 -26.057 14.566 -10.524 1.00 0.00 N ATOM 0 H GLN A 35 -24.042 10.120 -9.122 1.00 0.00 H new ATOM 0 HA GLN A 35 -23.669 9.510 -11.985 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -24.568 11.705 -12.540 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -25.786 10.763 -11.704 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -25.124 11.959 -9.566 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -24.089 12.992 -10.532 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -25.200 14.893 -10.078 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -26.817 15.221 -10.710 1.00 0.00 H new ATOM 557 N GLY A 36 -21.805 10.737 -9.811 1.00 0.00 N ATOM 558 CA GLY A 36 -20.513 11.334 -9.543 1.00 0.00 C ATOM 559 C GLY A 36 -20.526 12.205 -8.304 1.00 0.00 C ATOM 560 O GLY A 36 -21.540 12.809 -7.982 1.00 0.00 O ATOM 0 H GLY A 36 -22.187 10.178 -9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -19.770 10.546 -9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -20.207 11.932 -10.401 1.00 0.00 H new ATOM 564 N LEU A 37 -19.461 12.135 -7.525 1.00 0.00 N ATOM 565 CA LEU A 37 -19.220 13.081 -6.437 1.00 0.00 C ATOM 566 C LEU A 37 -17.739 13.083 -6.051 1.00 0.00 C ATOM 567 O LEU A 37 -16.935 12.365 -6.655 1.00 0.00 O ATOM 568 CB LEU A 37 -20.140 12.877 -5.240 1.00 0.00 C ATOM 569 CG LEU A 37 -21.171 13.985 -4.990 1.00 0.00 C ATOM 570 CD1 LEU A 37 -21.791 13.816 -3.613 1.00 0.00 C ATOM 571 CD2 LEU A 37 -20.540 15.363 -5.121 1.00 0.00 C ATOM 0 H LEU A 37 -18.737 11.424 -7.624 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.473 14.073 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.673 11.935 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.524 12.772 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 37 -21.952 13.902 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.522 14.607 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -22.285 12.846 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.011 13.874 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -21.295 16.128 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.736 15.466 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -20.136 15.484 -6.126 1.00 0.00 H new ATOM 583 N PHE A 38 -17.380 13.896 -5.066 1.00 0.00 N ATOM 584 CA PHE A 38 -15.977 14.130 -4.733 1.00 0.00 C ATOM 585 C PHE A 38 -15.597 13.439 -3.421 1.00 0.00 C ATOM 586 O PHE A 38 -16.368 13.419 -2.461 1.00 0.00 O ATOM 587 CB PHE A 38 -15.684 15.639 -4.642 1.00 0.00 C ATOM 588 CG PHE A 38 -16.354 16.339 -3.484 1.00 0.00 C ATOM 589 CD1 PHE A 38 -17.677 16.747 -3.566 1.00 0.00 C ATOM 590 CD2 PHE A 38 -15.654 16.589 -2.313 1.00 0.00 C ATOM 591 CE1 PHE A 38 -18.285 17.388 -2.502 1.00 0.00 C ATOM 592 CE2 PHE A 38 -16.258 17.229 -1.249 1.00 0.00 C ATOM 593 CZ PHE A 38 -17.575 17.629 -1.343 1.00 0.00 C ATOM 0 H PHE A 38 -18.041 14.407 -4.481 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.371 13.702 -5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.606 15.783 -4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.001 16.114 -5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.238 16.562 -4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -14.623 16.279 -2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -19.316 17.700 -2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.700 17.416 -0.344 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.049 18.129 -0.512 1.00 0.00 H new ATOM 603 N SER A 39 -14.406 12.873 -3.384 1.00 0.00 N ATOM 604 CA SER A 39 -13.922 12.218 -2.185 1.00 0.00 C ATOM 605 C SER A 39 -12.828 13.059 -1.532 1.00 0.00 C ATOM 606 O SER A 39 -11.973 13.623 -2.220 1.00 0.00 O ATOM 607 CB SER A 39 -13.403 10.824 -2.528 1.00 0.00 C ATOM 608 OG SER A 39 -13.066 10.095 -1.359 1.00 0.00 O ATOM 0 H SER A 39 -13.756 12.854 -4.170 1.00 0.00 H new ATOM 0 HA SER A 39 -14.743 12.116 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.161 10.280 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.527 10.908 -3.171 1.00 0.00 H new ATOM 0 HG SER A 39 -12.739 9.206 -1.611 1.00 0.00 H new ATOM 614 N PHE A 40 -12.867 13.146 -0.209 1.00 0.00 N ATOM 615 CA PHE A 40 -11.937 13.980 0.539 1.00 0.00 C ATOM 616 C PHE A 40 -11.140 13.151 1.542 1.00 0.00 C ATOM 617 O PHE A 40 -11.709 12.492 2.412 1.00 0.00 O ATOM 618 CB PHE A 40 -12.710 15.092 1.254 1.00 0.00 C ATOM 619 CG PHE A 40 -11.878 15.916 2.199 1.00 0.00 C ATOM 620 CD1 PHE A 40 -10.707 16.516 1.772 1.00 0.00 C ATOM 621 CD2 PHE A 40 -12.274 16.088 3.516 1.00 0.00 C ATOM 622 CE1 PHE A 40 -9.944 17.272 2.640 1.00 0.00 C ATOM 623 CE2 PHE A 40 -11.515 16.842 4.389 1.00 0.00 C ATOM 624 CZ PHE A 40 -10.348 17.435 3.950 1.00 0.00 C ATOM 0 H PHE A 40 -13.539 12.644 0.372 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.227 14.425 -0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -13.150 15.752 0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -13.535 14.646 1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.386 16.392 0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -13.187 15.627 3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.032 17.735 2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.834 16.968 5.413 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.752 18.025 4.630 1.00 0.00 H new ATOM 634 N SER A 41 -9.824 13.160 1.394 1.00 0.00 N ATOM 635 CA SER A 41 -8.943 12.470 2.323 1.00 0.00 C ATOM 636 C SER A 41 -7.817 13.399 2.774 1.00 0.00 C ATOM 637 O SER A 41 -7.549 14.416 2.138 1.00 0.00 O ATOM 638 CB SER A 41 -8.373 11.213 1.664 1.00 0.00 C ATOM 639 OG SER A 41 -9.415 10.391 1.172 1.00 0.00 O ATOM 0 H SER A 41 -9.341 13.640 0.635 1.00 0.00 H new ATOM 0 HA SER A 41 -9.515 12.174 3.202 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.708 11.494 0.847 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.774 10.657 2.386 1.00 0.00 H new ATOM 0 HG SER A 41 -9.032 9.593 0.753 1.00 0.00 H new ATOM 645 N ALA A 42 -7.160 13.061 3.872 1.00 0.00 N ATOM 646 CA ALA A 42 -6.032 13.846 4.342 1.00 0.00 C ATOM 647 C ALA A 42 -4.874 12.942 4.729 1.00 0.00 C ATOM 648 O ALA A 42 -5.079 11.866 5.284 1.00 0.00 O ATOM 649 CB ALA A 42 -6.441 14.712 5.523 1.00 0.00 C ATOM 0 H ALA A 42 -7.387 12.253 4.451 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.707 14.496 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.584 15.293 5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.240 15.388 5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.793 14.076 6.336 1.00 0.00 H new ATOM 655 N LEU A 43 -3.660 13.370 4.427 1.00 0.00 N ATOM 656 CA LEU A 43 -2.479 12.630 4.834 1.00 0.00 C ATOM 657 C LEU A 43 -1.925 13.187 6.118 1.00 0.00 C ATOM 658 O LEU A 43 -1.565 14.367 6.191 1.00 0.00 O ATOM 659 CB LEU A 43 -1.392 12.697 3.775 1.00 0.00 C ATOM 660 CG LEU A 43 -1.800 12.212 2.397 1.00 0.00 C ATOM 661 CD1 LEU A 43 -0.600 12.236 1.462 1.00 0.00 C ATOM 662 CD2 LEU A 43 -2.375 10.812 2.488 1.00 0.00 C ATOM 0 H LEU A 43 -3.467 14.224 3.903 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.782 11.592 4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.051 13.729 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.541 12.106 4.113 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.566 12.876 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.901 11.886 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.219 13.254 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.181 11.585 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.665 10.472 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.624 10.136 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.250 10.819 3.138 1.00 0.00 H new ATOM 674 N GLY A 44 -1.826 12.325 7.114 1.00 0.00 N ATOM 675 CA GLY A 44 -1.281 12.722 8.394 1.00 0.00 C ATOM 676 C GLY A 44 0.231 12.735 8.362 1.00 0.00 C ATOM 677 O GLY A 44 0.878 13.341 9.214 1.00 0.00 O ATOM 0 H GLY A 44 -2.116 11.349 7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.651 13.713 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.626 12.036 9.168 1.00 0.00 H new ATOM 681 N ALA A 45 0.792 12.070 7.357 1.00 0.00 N ATOM 682 CA ALA A 45 2.237 12.038 7.170 1.00 0.00 C ATOM 683 C ALA A 45 2.772 13.431 6.859 1.00 0.00 C ATOM 684 O ALA A 45 3.768 13.870 7.430 1.00 0.00 O ATOM 685 CB ALA A 45 2.596 11.068 6.055 1.00 0.00 C ATOM 0 H ALA A 45 0.266 11.545 6.658 1.00 0.00 H new ATOM 0 HA ALA A 45 2.700 11.697 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.678 11.051 5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.246 10.069 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.122 11.388 5.127 1.00 0.00 H new ATOM 691 N GLN A 46 2.088 14.125 5.961 1.00 0.00 N ATOM 692 CA GLN A 46 2.503 15.460 5.550 1.00 0.00 C ATOM 693 C GLN A 46 1.621 16.535 6.174 1.00 0.00 C ATOM 694 O GLN A 46 2.027 17.691 6.296 1.00 0.00 O ATOM 695 CB GLN A 46 2.457 15.583 4.028 1.00 0.00 C ATOM 696 CG GLN A 46 3.510 14.753 3.314 1.00 0.00 C ATOM 697 CD GLN A 46 3.414 14.873 1.809 1.00 0.00 C ATOM 698 OE1 GLN A 46 2.743 14.081 1.151 1.00 0.00 O ATOM 699 NE2 GLN A 46 4.065 15.883 1.253 1.00 0.00 N ATOM 0 H GLN A 46 1.242 13.786 5.502 1.00 0.00 H new ATOM 0 HA GLN A 46 3.525 15.609 5.899 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.470 15.280 3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.585 16.630 3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.501 15.070 3.639 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.400 13.707 3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.611 16.519 1.834 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.020 16.025 0.244 1.00 0.00 H new ATOM 708 N GLY A 47 0.418 16.151 6.569 1.00 0.00 N ATOM 709 CA GLY A 47 -0.539 17.116 7.069 1.00 0.00 C ATOM 710 C GLY A 47 -1.252 17.823 5.935 1.00 0.00 C ATOM 711 O GLY A 47 -1.806 18.905 6.113 1.00 0.00 O ATOM 0 H GLY A 47 0.086 15.187 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.269 16.612 7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.027 17.849 7.693 1.00 0.00 H new ATOM 715 N GLU A 48 -1.248 17.187 4.770 1.00 0.00 N ATOM 716 CA GLU A 48 -1.807 17.788 3.566 1.00 0.00 C ATOM 717 C GLU A 48 -2.960 16.931 3.069 1.00 0.00 C ATOM 718 O GLU A 48 -2.961 15.717 3.259 1.00 0.00 O ATOM 719 CB GLU A 48 -0.735 17.954 2.479 1.00 0.00 C ATOM 720 CG GLU A 48 -1.191 18.807 1.298 1.00 0.00 C ATOM 721 CD GLU A 48 -0.070 19.143 0.333 1.00 0.00 C ATOM 722 OE1 GLU A 48 0.878 19.845 0.739 1.00 0.00 O ATOM 723 OE2 GLU A 48 -0.141 18.726 -0.844 1.00 0.00 O ATOM 0 H GLU A 48 -0.863 16.253 4.634 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.178 18.785 3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.153 18.406 2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.443 16.969 2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.978 18.279 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.627 19.732 1.674 1.00 0.00 H new ATOM 730 N ARG A 49 -3.940 17.557 2.445 1.00 0.00 N ATOM 731 CA ARG A 49 -5.157 16.856 2.069 1.00 0.00 C ATOM 732 C ARG A 49 -5.146 16.465 0.600 1.00 0.00 C ATOM 733 O ARG A 49 -4.639 17.198 -0.248 1.00 0.00 O ATOM 734 CB ARG A 49 -6.400 17.710 2.348 1.00 0.00 C ATOM 735 CG ARG A 49 -6.689 17.967 3.823 1.00 0.00 C ATOM 736 CD ARG A 49 -5.679 18.914 4.449 1.00 0.00 C ATOM 737 NE ARG A 49 -5.518 20.136 3.662 1.00 0.00 N ATOM 738 CZ ARG A 49 -5.133 21.302 4.171 1.00 0.00 C ATOM 739 NH1 ARG A 49 -4.920 21.418 5.471 1.00 0.00 N ATOM 740 NH2 ARG A 49 -4.975 22.347 3.374 1.00 0.00 N ATOM 0 H ARG A 49 -3.920 18.544 2.188 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.196 15.952 2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.284 18.669 1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.266 17.220 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.690 18.385 3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.681 17.020 4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.000 19.172 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.716 18.411 4.539 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.713 20.091 2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.051 20.613 6.083 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.625 22.313 5.862 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.149 22.256 2.373 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.680 23.243 3.761 1.00 0.00 H new ATOM 754 N PHE A 50 -5.728 15.314 0.318 1.00 0.00 N ATOM 755 CA PHE A 50 -5.885 14.830 -1.041 1.00 0.00 C ATOM 756 C PHE A 50 -7.362 14.742 -1.375 1.00 0.00 C ATOM 757 O PHE A 50 -8.162 14.293 -0.556 1.00 0.00 O ATOM 758 CB PHE A 50 -5.241 13.450 -1.201 1.00 0.00 C ATOM 759 CG PHE A 50 -3.772 13.483 -1.520 1.00 0.00 C ATOM 760 CD1 PHE A 50 -2.869 14.110 -0.678 1.00 0.00 C ATOM 761 CD2 PHE A 50 -3.294 12.874 -2.668 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.520 14.129 -0.975 1.00 0.00 C ATOM 763 CE2 PHE A 50 -1.947 12.888 -2.971 1.00 0.00 C ATOM 764 CZ PHE A 50 -1.059 13.516 -2.123 1.00 0.00 C ATOM 0 H PHE A 50 -6.106 14.686 1.027 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.391 15.525 -1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.388 12.885 -0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.760 12.910 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.224 14.590 0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.985 12.381 -3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.827 14.623 -0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.590 12.408 -3.870 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.005 13.528 -2.357 1.00 0.00 H new ATOM 774 N GLU A 51 -7.730 15.150 -2.571 1.00 0.00 N ATOM 775 CA GLU A 51 -9.119 15.086 -2.980 1.00 0.00 C ATOM 776 C GLU A 51 -9.222 14.792 -4.464 1.00 0.00 C ATOM 777 O GLU A 51 -8.300 15.072 -5.231 1.00 0.00 O ATOM 778 CB GLU A 51 -9.857 16.391 -2.655 1.00 0.00 C ATOM 779 CG GLU A 51 -9.378 17.593 -3.452 1.00 0.00 C ATOM 780 CD GLU A 51 -10.297 18.787 -3.303 1.00 0.00 C ATOM 781 OE1 GLU A 51 -11.422 18.749 -3.850 1.00 0.00 O ATOM 782 OE2 GLU A 51 -9.913 19.762 -2.626 1.00 0.00 O ATOM 0 H GLU A 51 -7.093 15.527 -3.273 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.591 14.278 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.922 16.248 -2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.743 16.605 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.375 17.867 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.306 17.322 -4.505 1.00 0.00 H new ATOM 789 N PHE A 52 -10.336 14.207 -4.852 1.00 0.00 N ATOM 790 CA PHE A 52 -10.612 13.952 -6.250 1.00 0.00 C ATOM 791 C PHE A 52 -12.112 13.874 -6.475 1.00 0.00 C ATOM 792 O PHE A 52 -12.836 13.219 -5.718 1.00 0.00 O ATOM 793 CB PHE A 52 -9.912 12.672 -6.737 1.00 0.00 C ATOM 794 CG PHE A 52 -10.310 11.415 -6.009 1.00 0.00 C ATOM 795 CD1 PHE A 52 -9.639 11.018 -4.863 1.00 0.00 C ATOM 796 CD2 PHE A 52 -11.348 10.627 -6.479 1.00 0.00 C ATOM 797 CE1 PHE A 52 -9.998 9.863 -4.198 1.00 0.00 C ATOM 798 CE2 PHE A 52 -11.713 9.470 -5.818 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.036 9.088 -4.677 1.00 0.00 C ATOM 0 H PHE A 52 -11.069 13.897 -4.214 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.212 14.780 -6.836 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.122 12.542 -7.799 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.835 12.805 -6.640 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.825 11.620 -4.486 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.878 10.921 -7.373 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.468 9.566 -3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.526 8.866 -6.193 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.318 8.183 -4.159 1.00 0.00 H new ATOM 809 N SER A 53 -12.579 14.577 -7.486 1.00 0.00 N ATOM 810 CA SER A 53 -13.981 14.554 -7.844 1.00 0.00 C ATOM 811 C SER A 53 -14.168 13.696 -9.084 1.00 0.00 C ATOM 812 O SER A 53 -13.526 13.926 -10.109 1.00 0.00 O ATOM 813 CB SER A 53 -14.492 15.979 -8.089 1.00 0.00 C ATOM 814 OG SER A 53 -15.897 16.004 -8.275 1.00 0.00 O ATOM 0 H SER A 53 -12.003 15.175 -8.078 1.00 0.00 H new ATOM 0 HA SER A 53 -14.558 14.126 -7.024 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.225 16.613 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.000 16.397 -8.968 1.00 0.00 H new ATOM 0 HG SER A 53 -16.190 16.927 -8.427 1.00 0.00 H new ATOM 820 N LEU A 54 -15.022 12.694 -8.986 1.00 0.00 N ATOM 821 CA LEU A 54 -15.259 11.799 -10.102 1.00 0.00 C ATOM 822 C LEU A 54 -16.712 11.834 -10.523 1.00 0.00 C ATOM 823 O LEU A 54 -17.594 11.397 -9.781 1.00 0.00 O ATOM 824 CB LEU A 54 -14.847 10.366 -9.750 1.00 0.00 C ATOM 825 CG LEU A 54 -13.340 10.128 -9.656 1.00 0.00 C ATOM 826 CD1 LEU A 54 -13.055 8.692 -9.248 1.00 0.00 C ATOM 827 CD2 LEU A 54 -12.668 10.445 -10.985 1.00 0.00 C ATOM 0 H LEU A 54 -15.562 12.480 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.648 12.141 -10.937 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.301 10.098 -8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.259 9.691 -10.500 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.932 10.792 -8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.978 8.538 -9.185 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.507 8.493 -8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.476 8.013 -9.989 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.595 10.270 -10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.080 9.803 -11.763 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.847 11.489 -11.243 1.00 0.00 H new ATOM 839 N GLU A 55 -16.957 12.388 -11.700 1.00 0.00 N ATOM 840 CA GLU A 55 -18.279 12.344 -12.296 1.00 0.00 C ATOM 841 C GLU A 55 -18.459 11.024 -13.022 1.00 0.00 C ATOM 842 O GLU A 55 -17.739 10.721 -13.978 1.00 0.00 O ATOM 843 CB GLU A 55 -18.487 13.499 -13.267 1.00 0.00 C ATOM 844 CG GLU A 55 -18.404 14.872 -12.622 1.00 0.00 C ATOM 845 CD GLU A 55 -18.674 15.991 -13.608 1.00 0.00 C ATOM 846 OE1 GLU A 55 -19.858 16.253 -13.910 1.00 0.00 O ATOM 847 OE2 GLU A 55 -17.706 16.610 -14.088 1.00 0.00 O ATOM 0 H GLU A 55 -16.256 12.873 -12.260 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.019 12.436 -11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.739 13.435 -14.057 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.462 13.390 -13.741 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -19.123 14.930 -11.805 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.414 15.006 -12.186 1.00 0.00 H new ATOM 854 N LEU A 56 -19.416 10.248 -12.565 1.00 0.00 N ATOM 855 CA LEU A 56 -19.628 8.911 -13.080 1.00 0.00 C ATOM 856 C LEU A 56 -20.775 8.911 -14.079 1.00 0.00 C ATOM 857 O LEU A 56 -21.805 9.544 -13.853 1.00 0.00 O ATOM 858 CB LEU A 56 -19.883 7.945 -11.921 1.00 0.00 C ATOM 859 CG LEU A 56 -18.743 7.879 -10.897 1.00 0.00 C ATOM 860 CD1 LEU A 56 -19.117 6.994 -9.721 1.00 0.00 C ATOM 861 CD2 LEU A 56 -17.464 7.374 -11.549 1.00 0.00 C ATOM 0 H LEU A 56 -20.067 10.523 -11.830 1.00 0.00 H new ATOM 0 HA LEU A 56 -18.735 8.574 -13.606 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -20.799 8.242 -11.410 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -20.052 6.947 -12.325 1.00 0.00 H new ATOM 0 HG LEU A 56 -18.570 8.889 -10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.291 6.965 -9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -20.004 7.396 -9.231 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -19.325 5.985 -10.077 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.668 7.335 -10.806 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.632 6.376 -11.954 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -17.175 8.049 -12.355 1.00 0.00 H new ATOM 873 N TYR A 57 -20.580 8.205 -15.182 1.00 0.00 N ATOM 874 CA TYR A 57 -21.471 8.297 -16.332 1.00 0.00 C ATOM 875 C TYR A 57 -22.924 7.974 -15.979 1.00 0.00 C ATOM 876 O TYR A 57 -23.835 8.652 -16.457 1.00 0.00 O ATOM 877 CB TYR A 57 -20.983 7.390 -17.461 1.00 0.00 C ATOM 878 CG TYR A 57 -21.521 7.780 -18.819 1.00 0.00 C ATOM 879 CD1 TYR A 57 -21.537 9.112 -19.218 1.00 0.00 C ATOM 880 CD2 TYR A 57 -22.006 6.825 -19.702 1.00 0.00 C ATOM 881 CE1 TYR A 57 -22.020 9.480 -20.457 1.00 0.00 C ATOM 882 CE2 TYR A 57 -22.490 7.184 -20.946 1.00 0.00 C ATOM 883 CZ TYR A 57 -22.499 8.513 -21.317 1.00 0.00 C ATOM 884 OH TYR A 57 -22.982 8.880 -22.553 1.00 0.00 O ATOM 0 H TYR A 57 -19.804 7.555 -15.307 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.448 9.334 -16.668 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.894 7.412 -17.490 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -21.275 6.363 -17.244 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -21.165 9.872 -18.546 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -22.005 5.785 -19.412 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -22.023 10.519 -20.752 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -22.859 6.429 -21.624 1.00 0.00 H new ATOM 0 HH TYR A 57 -23.280 8.082 -23.038 1.00 0.00 H new ATOM 894 N GLY A 58 -23.157 6.961 -15.149 1.00 0.00 N ATOM 895 CA GLY A 58 -24.525 6.660 -14.781 1.00 0.00 C ATOM 896 C GLY A 58 -24.693 5.406 -13.941 1.00 0.00 C ATOM 897 O GLY A 58 -23.926 4.451 -14.069 1.00 0.00 O ATOM 0 H GLY A 58 -22.444 6.360 -14.736 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -24.934 7.507 -14.231 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.117 6.554 -15.690 1.00 0.00 H new ATOM 901 N LYS A 59 -25.711 5.452 -13.078 1.00 0.00 N ATOM 902 CA LYS A 59 -26.186 4.304 -12.297 1.00 0.00 C ATOM 903 C LYS A 59 -25.129 3.715 -11.373 1.00 0.00 C ATOM 904 O LYS A 59 -24.651 2.592 -11.575 1.00 0.00 O ATOM 905 CB LYS A 59 -26.774 3.220 -13.201 1.00 0.00 C ATOM 906 CG LYS A 59 -28.041 3.662 -13.911 1.00 0.00 C ATOM 907 CD LYS A 59 -28.753 2.492 -14.562 1.00 0.00 C ATOM 908 CE LYS A 59 -30.040 2.935 -15.235 1.00 0.00 C ATOM 909 NZ LYS A 59 -30.812 1.779 -15.756 1.00 0.00 N ATOM 0 H LYS A 59 -26.240 6.305 -12.898 1.00 0.00 H new ATOM 0 HA LYS A 59 -26.975 4.694 -11.654 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -26.030 2.931 -13.943 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -26.989 2.334 -12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -28.709 4.144 -13.198 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -27.794 4.406 -14.669 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -28.096 2.028 -15.298 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -28.975 1.735 -13.810 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -30.651 3.490 -14.523 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -29.807 3.616 -16.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -31.684 2.120 -16.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -30.238 1.264 -16.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -31.056 1.142 -14.971 1.00 0.00 H new ATOM 923 N ILE A 60 -24.776 4.470 -10.351 1.00 0.00 N ATOM 924 CA ILE A 60 -23.917 3.967 -9.294 1.00 0.00 C ATOM 925 C ILE A 60 -24.779 3.662 -8.075 1.00 0.00 C ATOM 926 O ILE A 60 -25.853 4.242 -7.919 1.00 0.00 O ATOM 927 CB ILE A 60 -22.824 4.986 -8.900 1.00 0.00 C ATOM 928 CG1 ILE A 60 -22.231 5.661 -10.142 1.00 0.00 C ATOM 929 CG2 ILE A 60 -21.723 4.311 -8.095 1.00 0.00 C ATOM 930 CD1 ILE A 60 -21.657 4.690 -11.159 1.00 0.00 C ATOM 0 H ILE A 60 -25.072 5.439 -10.229 1.00 0.00 H new ATOM 0 HA ILE A 60 -23.416 3.070 -9.658 1.00 0.00 H new ATOM 0 HB ILE A 60 -23.290 5.752 -8.280 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -23.006 6.259 -10.623 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -21.446 6.349 -9.829 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -20.964 5.047 -7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.147 3.882 -7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -21.268 3.521 -8.692 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.257 5.246 -12.007 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.859 4.109 -10.697 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -22.442 4.017 -11.503 1.00 0.00 H new ATOM 942 N MET A 61 -24.333 2.754 -7.225 1.00 0.00 N ATOM 943 CA MET A 61 -25.085 2.432 -6.025 1.00 0.00 C ATOM 944 C MET A 61 -24.640 3.339 -4.891 1.00 0.00 C ATOM 945 O MET A 61 -23.586 3.131 -4.283 1.00 0.00 O ATOM 946 CB MET A 61 -24.926 0.959 -5.641 1.00 0.00 C ATOM 947 CG MET A 61 -25.680 0.572 -4.378 1.00 0.00 C ATOM 948 SD MET A 61 -27.411 1.084 -4.418 1.00 0.00 S ATOM 949 CE MET A 61 -27.979 0.232 -5.885 1.00 0.00 C ATOM 0 H MET A 61 -23.464 2.232 -7.341 1.00 0.00 H new ATOM 0 HA MET A 61 -26.144 2.598 -6.223 1.00 0.00 H new ATOM 0 HB2 MET A 61 -25.274 0.338 -6.466 1.00 0.00 H new ATOM 0 HB3 MET A 61 -23.867 0.741 -5.503 1.00 0.00 H new ATOM 0 HG2 MET A 61 -25.628 -0.509 -4.245 1.00 0.00 H new ATOM 0 HG3 MET A 61 -25.191 1.024 -3.515 1.00 0.00 H new ATOM 0 HE1 MET A 61 -29.065 0.301 -5.949 1.00 0.00 H new ATOM 0 HE2 MET A 61 -27.534 0.691 -6.768 1.00 0.00 H new ATOM 0 HE3 MET A 61 -27.685 -0.816 -5.834 1.00 0.00 H new ATOM 959 N THR A 62 -25.445 4.351 -4.621 1.00 0.00 N ATOM 960 CA THR A 62 -25.100 5.377 -3.652 1.00 0.00 C ATOM 961 C THR A 62 -25.148 4.836 -2.225 1.00 0.00 C ATOM 962 O THR A 62 -24.635 5.461 -1.292 1.00 0.00 O ATOM 963 CB THR A 62 -26.066 6.569 -3.772 1.00 0.00 C ATOM 964 OG1 THR A 62 -26.561 6.655 -5.114 1.00 0.00 O ATOM 965 CG2 THR A 62 -25.369 7.870 -3.409 1.00 0.00 C ATOM 0 H THR A 62 -26.353 4.485 -5.065 1.00 0.00 H new ATOM 0 HA THR A 62 -24.082 5.702 -3.867 1.00 0.00 H new ATOM 0 HB THR A 62 -26.893 6.411 -3.080 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.810 6.622 -5.742 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.072 8.698 -3.502 1.00 0.00 H new ATOM 0 HG22 THR A 62 -25.007 7.815 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.527 8.032 -4.082 1.00 0.00 H new ATOM 973 N GLU A 63 -25.757 3.664 -2.073 1.00 0.00 N ATOM 974 CA GLU A 63 -25.953 3.046 -0.767 1.00 0.00 C ATOM 975 C GLU A 63 -24.634 2.876 -0.014 1.00 0.00 C ATOM 976 O GLU A 63 -24.387 3.554 0.985 1.00 0.00 O ATOM 977 CB GLU A 63 -26.637 1.686 -0.926 1.00 0.00 C ATOM 978 CG GLU A 63 -26.954 1.002 0.395 1.00 0.00 C ATOM 979 CD GLU A 63 -28.002 1.744 1.200 1.00 0.00 C ATOM 980 OE1 GLU A 63 -27.644 2.685 1.937 1.00 0.00 O ATOM 981 OE2 GLU A 63 -29.193 1.398 1.088 1.00 0.00 O ATOM 0 H GLU A 63 -26.128 3.117 -2.850 1.00 0.00 H new ATOM 0 HA GLU A 63 -26.589 3.711 -0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -27.562 1.818 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -25.995 1.034 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -27.302 -0.012 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -26.041 0.918 0.984 1.00 0.00 H new ATOM 988 N TYR A 64 -23.782 1.984 -0.496 1.00 0.00 N ATOM 989 CA TYR A 64 -22.563 1.656 0.223 1.00 0.00 C ATOM 990 C TYR A 64 -21.328 1.737 -0.656 1.00 0.00 C ATOM 991 O TYR A 64 -21.314 1.271 -1.796 1.00 0.00 O ATOM 992 CB TYR A 64 -22.659 0.265 0.849 1.00 0.00 C ATOM 993 CG TYR A 64 -23.326 0.255 2.207 1.00 0.00 C ATOM 994 CD1 TYR A 64 -22.731 0.886 3.292 1.00 0.00 C ATOM 995 CD2 TYR A 64 -24.540 -0.390 2.408 1.00 0.00 C ATOM 996 CE1 TYR A 64 -23.324 0.870 4.539 1.00 0.00 C ATOM 997 CE2 TYR A 64 -25.141 -0.406 3.652 1.00 0.00 C ATOM 998 CZ TYR A 64 -24.529 0.227 4.713 1.00 0.00 C ATOM 999 OH TYR A 64 -25.118 0.199 5.955 1.00 0.00 O ATOM 0 H TYR A 64 -23.911 1.479 -1.373 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.458 2.403 1.010 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -23.214 -0.389 0.176 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -21.656 -0.152 0.943 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -21.789 1.397 3.158 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -25.022 -0.887 1.579 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -22.845 1.360 5.374 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -26.085 -0.912 3.793 1.00 0.00 H new ATOM 0 HH TYR A 64 -25.964 -0.294 5.905 1.00 0.00 H new ATOM 1009 N ARG A 65 -20.303 2.355 -0.100 1.00 0.00 N ATOM 1010 CA ARG A 65 -18.975 2.351 -0.678 1.00 0.00 C ATOM 1011 C ARG A 65 -17.968 2.203 0.454 1.00 0.00 C ATOM 1012 O ARG A 65 -18.002 2.962 1.426 1.00 0.00 O ATOM 1013 CB ARG A 65 -18.696 3.619 -1.510 1.00 0.00 C ATOM 1014 CG ARG A 65 -18.729 4.933 -0.734 1.00 0.00 C ATOM 1015 CD ARG A 65 -20.150 5.404 -0.463 1.00 0.00 C ATOM 1016 NE ARG A 65 -20.167 6.707 0.201 1.00 0.00 N ATOM 1017 CZ ARG A 65 -21.248 7.476 0.314 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -22.414 7.070 -0.176 1.00 0.00 N ATOM 1019 NH2 ARG A 65 -21.165 8.652 0.920 1.00 0.00 N ATOM 0 H ARG A 65 -20.371 2.878 0.773 1.00 0.00 H new ATOM 0 HA ARG A 65 -18.889 1.514 -1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -17.717 3.518 -1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -19.429 3.674 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -18.203 4.808 0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -18.195 5.699 -1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -20.699 5.466 -1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -20.665 4.671 0.159 1.00 0.00 H new ATOM 0 HE ARG A 65 -19.294 7.049 0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -22.484 6.165 -0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -23.239 7.663 -0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.273 8.968 1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -21.993 9.241 1.006 1.00 0.00 H new ATOM 1033 N LYS A 66 -17.090 1.226 0.345 1.00 0.00 N ATOM 1034 CA LYS A 66 -16.208 0.885 1.448 1.00 0.00 C ATOM 1035 C LYS A 66 -14.765 1.234 1.129 1.00 0.00 C ATOM 1036 O LYS A 66 -14.285 0.987 0.026 1.00 0.00 O ATOM 1037 CB LYS A 66 -16.329 -0.609 1.766 1.00 0.00 C ATOM 1038 CG LYS A 66 -15.481 -1.060 2.948 1.00 0.00 C ATOM 1039 CD LYS A 66 -15.849 -0.305 4.217 1.00 0.00 C ATOM 1040 CE LYS A 66 -15.003 -0.747 5.398 1.00 0.00 C ATOM 1041 NZ LYS A 66 -15.288 0.061 6.615 1.00 0.00 N ATOM 0 H LYS A 66 -16.967 0.655 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.510 1.468 2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.374 -0.843 1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.041 -1.182 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.616 -2.130 3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.426 -0.902 2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.717 0.765 4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.903 -0.466 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.193 -1.800 5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.947 -0.659 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.691 -0.271 7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.082 1.062 6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.290 -0.043 6.874 1.00 0.00 H new ATOM 1055 N ASN A 67 -14.085 1.824 2.098 1.00 0.00 N ATOM 1056 CA ASN A 67 -12.675 2.136 1.961 1.00 0.00 C ATOM 1057 C ASN A 67 -11.844 1.226 2.858 1.00 0.00 C ATOM 1058 O ASN A 67 -12.000 1.212 4.078 1.00 0.00 O ATOM 1059 CB ASN A 67 -12.395 3.615 2.274 1.00 0.00 C ATOM 1060 CG ASN A 67 -12.959 4.065 3.611 1.00 0.00 C ATOM 1061 OD1 ASN A 67 -12.306 3.960 4.647 1.00 0.00 O ATOM 1062 ND2 ASN A 67 -14.182 4.577 3.596 1.00 0.00 N ATOM 0 H ASN A 67 -14.491 2.097 2.993 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.389 1.961 0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.318 3.783 2.267 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.819 4.233 1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.611 4.899 4.464 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.694 4.648 2.717 1.00 0.00 H new ATOM 1069 N VAL A 68 -11.000 0.430 2.230 1.00 0.00 N ATOM 1070 CA VAL A 68 -10.070 -0.432 2.945 1.00 0.00 C ATOM 1071 C VAL A 68 -8.647 0.030 2.669 1.00 0.00 C ATOM 1072 O VAL A 68 -8.378 0.609 1.615 1.00 0.00 O ATOM 1073 CB VAL A 68 -10.235 -1.919 2.548 1.00 0.00 C ATOM 1074 CG1 VAL A 68 -11.557 -2.467 3.068 1.00 0.00 C ATOM 1075 CG2 VAL A 68 -10.141 -2.091 1.037 1.00 0.00 C ATOM 0 H VAL A 68 -10.937 0.360 1.214 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.288 -0.358 4.010 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.423 -2.485 3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.656 -3.513 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.582 -2.386 4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.381 -1.894 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.260 -3.144 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.927 -1.510 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.168 -1.742 0.691 1.00 0.00 H new ATOM 1085 N GLY A 69 -7.741 -0.190 3.608 1.00 0.00 N ATOM 1086 CA GLY A 69 -6.405 0.327 3.441 1.00 0.00 C ATOM 1087 C GLY A 69 -5.336 -0.556 4.042 1.00 0.00 C ATOM 1088 O GLY A 69 -5.429 -0.962 5.200 1.00 0.00 O ATOM 0 H GLY A 69 -7.905 -0.710 4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.204 0.454 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.347 1.315 3.897 1.00 0.00 H new ATOM 1092 N LEU A 70 -4.319 -0.850 3.247 1.00 0.00 N ATOM 1093 CA LEU A 70 -3.154 -1.582 3.724 1.00 0.00 C ATOM 1094 C LEU A 70 -1.905 -0.732 3.526 1.00 0.00 C ATOM 1095 O LEU A 70 -1.326 -0.220 4.483 1.00 0.00 O ATOM 1096 CB LEU A 70 -3.014 -2.921 2.990 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.163 -3.911 3.204 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.928 -5.181 2.398 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -4.326 -4.234 4.683 1.00 0.00 C ATOM 0 H LEU A 70 -4.276 -0.591 2.261 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.280 -1.794 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.922 -2.723 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.085 -3.395 3.307 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.086 -3.448 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.754 -5.874 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.867 -4.933 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.995 -5.647 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.147 -4.939 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.405 -4.676 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.543 -3.319 5.234 1.00 0.00 H new ATOM 1111 N ARG A 71 -1.502 -0.578 2.273 1.00 0.00 N ATOM 1112 CA ARG A 71 -0.412 0.321 1.909 1.00 0.00 C ATOM 1113 C ARG A 71 -0.960 1.463 1.074 1.00 0.00 C ATOM 1114 O ARG A 71 -0.222 2.322 0.590 1.00 0.00 O ATOM 1115 CB ARG A 71 0.675 -0.425 1.129 1.00 0.00 C ATOM 1116 CG ARG A 71 1.659 -1.176 2.010 1.00 0.00 C ATOM 1117 CD ARG A 71 2.378 -0.225 2.948 1.00 0.00 C ATOM 1118 NE ARG A 71 3.489 -0.864 3.646 1.00 0.00 N ATOM 1119 CZ ARG A 71 4.117 -0.319 4.690 1.00 0.00 C ATOM 1120 NH1 ARG A 71 3.644 0.795 5.241 1.00 0.00 N ATOM 1121 NH2 ARG A 71 5.191 -0.905 5.201 1.00 0.00 N ATOM 0 H ARG A 71 -1.918 -1.069 1.482 1.00 0.00 H new ATOM 0 HA ARG A 71 0.037 0.715 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.200 -1.131 0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.224 0.290 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.131 -1.934 2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.386 -1.699 1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.751 0.627 2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.669 0.165 3.679 1.00 0.00 H new ATOM 0 HE ARG A 71 3.803 -1.777 3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.802 1.232 4.866 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.123 1.212 6.039 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.539 -1.774 4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.669 -0.487 5.999 1.00 0.00 H new ATOM 1135 N ASN A 72 -2.271 1.449 0.918 1.00 0.00 N ATOM 1136 CA ASN A 72 -2.983 2.386 0.073 1.00 0.00 C ATOM 1137 C ASN A 72 -4.470 2.253 0.359 1.00 0.00 C ATOM 1138 O ASN A 72 -4.861 1.416 1.173 1.00 0.00 O ATOM 1139 CB ASN A 72 -2.695 2.114 -1.409 1.00 0.00 C ATOM 1140 CG ASN A 72 -3.134 0.728 -1.859 1.00 0.00 C ATOM 1141 OD1 ASN A 72 -3.166 -0.223 -1.079 1.00 0.00 O ATOM 1142 ND2 ASN A 72 -3.449 0.605 -3.132 1.00 0.00 N ATOM 0 H ASN A 72 -2.879 0.775 1.383 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.650 3.401 0.290 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.203 2.864 -2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.626 2.227 -1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.732 -0.302 -3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.410 1.417 -3.748 1.00 0.00 H new ATOM 1149 N ILE A 73 -5.293 3.056 -0.299 1.00 0.00 N ATOM 1150 CA ILE A 73 -6.722 3.052 -0.027 1.00 0.00 C ATOM 1151 C ILE A 73 -7.507 2.513 -1.220 1.00 0.00 C ATOM 1152 O ILE A 73 -7.445 3.057 -2.323 1.00 0.00 O ATOM 1153 CB ILE A 73 -7.238 4.463 0.335 1.00 0.00 C ATOM 1154 CG1 ILE A 73 -6.482 5.015 1.551 1.00 0.00 C ATOM 1155 CG2 ILE A 73 -8.737 4.430 0.612 1.00 0.00 C ATOM 1156 CD1 ILE A 73 -6.639 4.179 2.805 1.00 0.00 C ATOM 0 H ILE A 73 -4.998 3.714 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.878 2.396 0.829 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.058 5.123 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.423 5.088 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.832 6.027 1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.082 5.432 0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.263 4.078 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.938 3.756 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.075 4.635 3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.693 4.127 3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.262 3.173 2.621 1.00 0.00 H new ATOM 1168 N ILE A 74 -8.240 1.439 -0.989 1.00 0.00 N ATOM 1169 CA ILE A 74 -9.061 0.839 -2.024 1.00 0.00 C ATOM 1170 C ILE A 74 -10.535 1.135 -1.761 1.00 0.00 C ATOM 1171 O ILE A 74 -11.077 0.785 -0.711 1.00 0.00 O ATOM 1172 CB ILE A 74 -8.840 -0.686 -2.096 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -7.353 -0.990 -2.299 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -9.666 -1.292 -3.221 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -7.018 -2.466 -2.273 1.00 0.00 C ATOM 0 H ILE A 74 -8.283 0.962 -0.088 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.769 1.273 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.165 -1.132 -1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.034 -0.572 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.780 -0.484 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.498 -2.368 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.723 -1.096 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.370 -0.847 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.947 -2.599 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.304 -2.887 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.562 -2.977 -3.068 1.00 0.00 H new ATOM 1187 N PHE A 75 -11.163 1.796 -2.714 1.00 0.00 N ATOM 1188 CA PHE A 75 -12.572 2.131 -2.618 1.00 0.00 C ATOM 1189 C PHE A 75 -13.416 1.107 -3.372 1.00 0.00 C ATOM 1190 O PHE A 75 -13.276 0.942 -4.582 1.00 0.00 O ATOM 1191 CB PHE A 75 -12.835 3.534 -3.172 1.00 0.00 C ATOM 1192 CG PHE A 75 -12.158 4.634 -2.407 1.00 0.00 C ATOM 1193 CD1 PHE A 75 -12.638 5.040 -1.174 1.00 0.00 C ATOM 1194 CD2 PHE A 75 -11.045 5.270 -2.929 1.00 0.00 C ATOM 1195 CE1 PHE A 75 -12.019 6.058 -0.473 1.00 0.00 C ATOM 1196 CE2 PHE A 75 -10.423 6.290 -2.235 1.00 0.00 C ATOM 1197 CZ PHE A 75 -10.912 6.684 -1.006 1.00 0.00 C ATOM 0 H PHE A 75 -10.714 2.115 -3.573 1.00 0.00 H new ATOM 0 HA PHE A 75 -12.853 2.114 -1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -12.503 3.571 -4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -13.910 3.716 -3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -13.507 4.555 -0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.658 4.965 -3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.402 6.362 0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.555 6.778 -2.654 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.428 7.482 -0.462 1.00 0.00 H new ATOM 1207 N SER A 76 -14.267 0.406 -2.649 1.00 0.00 N ATOM 1208 CA SER A 76 -15.182 -0.541 -3.261 1.00 0.00 C ATOM 1209 C SER A 76 -16.578 0.059 -3.338 1.00 0.00 C ATOM 1210 O SER A 76 -17.259 0.198 -2.320 1.00 0.00 O ATOM 1211 CB SER A 76 -15.209 -1.840 -2.459 1.00 0.00 C ATOM 1212 OG SER A 76 -13.895 -2.332 -2.246 1.00 0.00 O ATOM 0 H SER A 76 -14.345 0.474 -1.634 1.00 0.00 H new ATOM 0 HA SER A 76 -14.838 -0.762 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.698 -1.669 -1.500 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.800 -2.587 -2.989 1.00 0.00 H new ATOM 0 HG SER A 76 -13.937 -3.163 -1.729 1.00 0.00 H new ATOM 1218 N ILE A 77 -16.990 0.443 -4.536 1.00 0.00 N ATOM 1219 CA ILE A 77 -18.301 1.040 -4.732 1.00 0.00 C ATOM 1220 C ILE A 77 -19.143 0.151 -5.632 1.00 0.00 C ATOM 1221 O ILE A 77 -18.760 -0.127 -6.767 1.00 0.00 O ATOM 1222 CB ILE A 77 -18.232 2.456 -5.363 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -17.228 3.356 -4.635 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -19.609 3.101 -5.357 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -15.813 3.237 -5.158 1.00 0.00 C ATOM 0 H ILE A 77 -16.435 0.352 -5.387 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.750 1.135 -3.743 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.890 2.341 -6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.552 4.393 -4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -17.235 3.109 -3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.548 4.094 -5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -20.301 2.487 -5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -19.967 3.185 -4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.160 3.903 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.468 2.209 -5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.790 3.513 -6.212 1.00 0.00 H new ATOM 1237 N GLN A 78 -20.275 -0.307 -5.129 1.00 0.00 N ATOM 1238 CA GLN A 78 -21.160 -1.137 -5.926 1.00 0.00 C ATOM 1239 C GLN A 78 -21.855 -0.280 -6.981 1.00 0.00 C ATOM 1240 O GLN A 78 -22.127 0.897 -6.751 1.00 0.00 O ATOM 1241 CB GLN A 78 -22.184 -1.844 -5.035 1.00 0.00 C ATOM 1242 CG GLN A 78 -23.051 -2.851 -5.776 1.00 0.00 C ATOM 1243 CD GLN A 78 -23.953 -3.638 -4.848 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -25.075 -3.226 -4.558 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -23.476 -4.788 -4.391 1.00 0.00 N ATOM 0 H GLN A 78 -20.601 -0.121 -4.181 1.00 0.00 H new ATOM 0 HA GLN A 78 -20.572 -1.904 -6.429 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -21.658 -2.355 -4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -22.827 -1.096 -4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -23.661 -2.327 -6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.411 -3.541 -6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -22.540 -5.093 -4.656 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -24.046 -5.367 -3.774 1.00 0.00 H new ATOM 1254 N LYS A 79 -22.116 -0.857 -8.143 1.00 0.00 N ATOM 1255 CA LYS A 79 -22.774 -0.130 -9.214 1.00 0.00 C ATOM 1256 C LYS A 79 -24.118 -0.769 -9.518 1.00 0.00 C ATOM 1257 O LYS A 79 -24.258 -1.992 -9.439 1.00 0.00 O ATOM 1258 CB LYS A 79 -21.882 -0.093 -10.468 1.00 0.00 C ATOM 1259 CG LYS A 79 -21.594 -1.460 -11.081 1.00 0.00 C ATOM 1260 CD LYS A 79 -22.610 -1.820 -12.153 1.00 0.00 C ATOM 1261 CE LYS A 79 -22.498 -3.275 -12.582 1.00 0.00 C ATOM 1262 NZ LYS A 79 -22.874 -4.209 -11.486 1.00 0.00 N ATOM 0 H LYS A 79 -21.883 -1.824 -8.367 1.00 0.00 H new ATOM 0 HA LYS A 79 -22.943 0.899 -8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -22.360 0.535 -11.220 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -20.935 0.382 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -20.593 -1.462 -11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -21.605 -2.219 -10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -23.615 -1.630 -11.777 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -22.466 -1.175 -13.020 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -23.142 -3.450 -13.444 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -21.476 -3.482 -12.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -22.159 -4.960 -11.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -22.925 -3.687 -10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -23.801 -4.633 -11.694 1.00 0.00 H new ATOM 1276 N GLU A 80 -25.104 0.048 -9.858 1.00 0.00 N ATOM 1277 CA GLU A 80 -26.429 -0.463 -10.171 1.00 0.00 C ATOM 1278 C GLU A 80 -26.386 -1.226 -11.491 1.00 0.00 C ATOM 1279 O GLU A 80 -26.699 -2.418 -11.540 1.00 0.00 O ATOM 1280 CB GLU A 80 -27.448 0.678 -10.232 1.00 0.00 C ATOM 1281 CG GLU A 80 -28.867 0.208 -10.507 1.00 0.00 C ATOM 1282 CD GLU A 80 -29.890 1.310 -10.345 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -30.078 2.099 -11.290 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -30.524 1.383 -9.273 1.00 0.00 O ATOM 0 H GLU A 80 -25.012 1.062 -9.924 1.00 0.00 H new ATOM 0 HA GLU A 80 -26.742 -1.146 -9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -27.430 1.222 -9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -27.149 1.381 -11.010 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -28.924 -0.188 -11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -29.111 -0.611 -9.830 1.00 0.00 H new ATOM 1427 N LEU A 88 -17.344 5.060 -18.174 1.00 0.00 N ATOM 1428 CA LEU A 88 -17.767 5.358 -16.809 1.00 0.00 C ATOM 1429 C LEU A 88 -17.459 6.805 -16.433 1.00 0.00 C ATOM 1430 O LEU A 88 -17.971 7.317 -15.440 1.00 0.00 O ATOM 1431 CB LEU A 88 -17.097 4.416 -15.796 1.00 0.00 C ATOM 1432 CG LEU A 88 -15.649 4.749 -15.418 1.00 0.00 C ATOM 1433 CD1 LEU A 88 -15.251 3.992 -14.164 1.00 0.00 C ATOM 1434 CD2 LEU A 88 -14.692 4.420 -16.554 1.00 0.00 C ATOM 0 HA LEU A 88 -18.846 5.206 -16.774 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.696 4.410 -14.885 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -17.122 3.404 -16.201 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.588 5.820 -15.226 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.221 4.235 -13.904 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.909 4.276 -13.343 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.336 2.920 -14.343 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.673 4.667 -16.255 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.754 3.357 -16.786 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.962 5.000 -17.437 1.00 0.00 H new ATOM 1446 N LEU A 89 -16.621 7.455 -17.226 1.00 0.00 N ATOM 1447 CA LEU A 89 -16.172 8.808 -16.926 1.00 0.00 C ATOM 1448 C LEU A 89 -16.940 9.842 -17.733 1.00 0.00 C ATOM 1449 O LEU A 89 -16.873 9.866 -18.961 1.00 0.00 O ATOM 1450 CB LEU A 89 -14.672 8.947 -17.198 1.00 0.00 C ATOM 1451 CG LEU A 89 -13.800 9.169 -15.955 1.00 0.00 C ATOM 1452 CD1 LEU A 89 -14.202 10.450 -15.244 1.00 0.00 C ATOM 1453 CD2 LEU A 89 -13.897 7.983 -15.007 1.00 0.00 C ATOM 0 H LEU A 89 -16.236 7.066 -18.087 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.364 8.990 -15.869 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.327 8.048 -17.708 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.519 9.781 -17.883 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.764 9.263 -16.280 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.573 10.591 -14.365 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.076 11.296 -15.920 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.246 10.383 -14.936 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.271 8.163 -14.133 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.932 7.854 -14.691 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.558 7.081 -15.517 1.00 0.00 H new ATOM 1465 N LYS A 90 -17.693 10.676 -17.025 1.00 0.00 N ATOM 1466 CA LYS A 90 -18.363 11.827 -17.627 1.00 0.00 C ATOM 1467 C LYS A 90 -17.338 12.697 -18.359 1.00 0.00 C ATOM 1468 O LYS A 90 -17.624 13.275 -19.413 1.00 0.00 O ATOM 1469 CB LYS A 90 -19.091 12.606 -16.522 1.00 0.00 C ATOM 1470 CG LYS A 90 -19.860 13.829 -16.990 1.00 0.00 C ATOM 1471 CD LYS A 90 -18.958 15.040 -17.106 1.00 0.00 C ATOM 1472 CE LYS A 90 -19.733 16.288 -17.460 1.00 0.00 C ATOM 1473 NZ LYS A 90 -20.716 16.657 -16.405 1.00 0.00 N ATOM 0 H LYS A 90 -17.857 10.576 -16.023 1.00 0.00 H new ATOM 0 HA LYS A 90 -19.099 11.503 -18.363 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -19.785 11.931 -16.021 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -18.358 12.920 -15.779 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -20.320 13.623 -17.956 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -20.668 14.042 -16.290 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -18.433 15.194 -16.163 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -18.199 14.856 -17.866 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -19.038 17.114 -17.612 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -20.256 16.133 -18.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -20.746 17.692 -16.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -21.659 16.308 -16.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -20.431 16.230 -15.501 1.00 0.00 H new ATOM 1487 N SER A 91 -16.136 12.762 -17.804 1.00 0.00 N ATOM 1488 CA SER A 91 -15.039 13.484 -18.417 1.00 0.00 C ATOM 1489 C SER A 91 -14.384 12.613 -19.491 1.00 0.00 C ATOM 1490 O SER A 91 -13.299 12.064 -19.298 1.00 0.00 O ATOM 1491 CB SER A 91 -14.023 13.872 -17.345 1.00 0.00 C ATOM 1492 OG SER A 91 -14.681 14.310 -16.167 1.00 0.00 O ATOM 0 H SER A 91 -15.898 12.316 -16.918 1.00 0.00 H new ATOM 0 HA SER A 91 -15.415 14.392 -18.889 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.385 13.019 -17.115 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.374 14.663 -17.721 1.00 0.00 H new ATOM 0 HG SER A 91 -14.014 14.553 -15.491 1.00 0.00 H new ATOM 1498 N GLU A 92 -15.080 12.461 -20.608 1.00 0.00 N ATOM 1499 CA GLU A 92 -14.630 11.592 -21.691 1.00 0.00 C ATOM 1500 C GLU A 92 -13.438 12.158 -22.456 1.00 0.00 C ATOM 1501 O GLU A 92 -12.370 11.548 -22.477 1.00 0.00 O ATOM 1502 CB GLU A 92 -15.778 11.308 -22.654 1.00 0.00 C ATOM 1503 CG GLU A 92 -16.498 10.010 -22.352 1.00 0.00 C ATOM 1504 CD GLU A 92 -15.563 8.823 -22.428 1.00 0.00 C ATOM 1505 OE1 GLU A 92 -15.057 8.534 -23.529 1.00 0.00 O ATOM 1506 OE2 GLU A 92 -15.318 8.175 -21.387 1.00 0.00 O ATOM 0 H GLU A 92 -15.966 12.932 -20.791 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.298 10.664 -21.226 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -16.492 12.131 -22.612 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.390 11.273 -23.672 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.941 10.062 -21.357 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -17.317 9.875 -23.059 1.00 0.00 H new ATOM 1513 N GLU A 93 -13.616 13.313 -23.088 1.00 0.00 N ATOM 1514 CA GLU A 93 -12.566 13.879 -23.929 1.00 0.00 C ATOM 1515 C GLU A 93 -11.538 14.650 -23.104 1.00 0.00 C ATOM 1516 O GLU A 93 -10.553 15.159 -23.637 1.00 0.00 O ATOM 1517 CB GLU A 93 -13.163 14.763 -25.027 1.00 0.00 C ATOM 1518 CG GLU A 93 -14.052 15.886 -24.521 1.00 0.00 C ATOM 1519 CD GLU A 93 -14.655 16.683 -25.662 1.00 0.00 C ATOM 1520 OE1 GLU A 93 -13.955 17.558 -26.218 1.00 0.00 O ATOM 1521 OE2 GLU A 93 -15.818 16.421 -26.027 1.00 0.00 O ATOM 0 H GLU A 93 -14.468 13.871 -23.036 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.045 13.049 -24.406 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.349 15.196 -25.609 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.742 14.136 -25.705 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.850 15.469 -23.907 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.471 16.550 -23.881 1.00 0.00 H new ATOM 1528 N LYS A 94 -11.768 14.724 -21.802 1.00 0.00 N ATOM 1529 CA LYS A 94 -10.798 15.314 -20.892 1.00 0.00 C ATOM 1530 C LYS A 94 -10.583 14.391 -19.698 1.00 0.00 C ATOM 1531 O LYS A 94 -11.296 14.483 -18.701 1.00 0.00 O ATOM 1532 CB LYS A 94 -11.247 16.695 -20.407 1.00 0.00 C ATOM 1533 CG LYS A 94 -10.227 17.361 -19.492 1.00 0.00 C ATOM 1534 CD LYS A 94 -10.790 18.597 -18.811 1.00 0.00 C ATOM 1535 CE LYS A 94 -11.119 19.698 -19.806 1.00 0.00 C ATOM 1536 NZ LYS A 94 -11.624 20.916 -19.124 1.00 0.00 N ATOM 0 H LYS A 94 -12.617 14.383 -21.352 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.861 15.439 -21.435 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.428 17.337 -21.269 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.195 16.598 -19.877 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.900 16.648 -18.735 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.346 17.637 -20.072 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.690 18.328 -18.258 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.069 18.970 -18.084 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.228 19.946 -20.383 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.867 19.339 -20.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.839 21.647 -19.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.488 20.684 -18.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.900 21.272 -18.468 1.00 0.00 H new ATOM 1550 N PRO A 95 -9.631 13.456 -19.800 1.00 0.00 N ATOM 1551 CA PRO A 95 -9.307 12.562 -18.698 1.00 0.00 C ATOM 1552 C PRO A 95 -8.466 13.260 -17.642 1.00 0.00 C ATOM 1553 O PRO A 95 -7.456 13.892 -17.954 1.00 0.00 O ATOM 1554 CB PRO A 95 -8.506 11.445 -19.368 1.00 0.00 C ATOM 1555 CG PRO A 95 -7.874 12.088 -20.558 1.00 0.00 C ATOM 1556 CD PRO A 95 -8.804 13.194 -20.993 1.00 0.00 C ATOM 0 HA PRO A 95 -10.196 12.205 -18.178 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.754 11.038 -18.692 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.151 10.617 -19.662 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.890 12.485 -20.308 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.731 11.364 -21.360 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.252 14.083 -21.299 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.415 12.890 -21.843 1.00 0.00 H new ATOM 1564 N ALA A 96 -8.894 13.162 -16.394 1.00 0.00 N ATOM 1565 CA ALA A 96 -8.135 13.723 -15.294 1.00 0.00 C ATOM 1566 C ALA A 96 -6.821 12.965 -15.139 1.00 0.00 C ATOM 1567 O ALA A 96 -6.764 11.760 -15.395 1.00 0.00 O ATOM 1568 CB ALA A 96 -8.952 13.679 -14.013 1.00 0.00 C ATOM 0 H ALA A 96 -9.761 12.700 -16.120 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.907 14.768 -15.506 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.370 14.103 -13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.867 14.257 -14.145 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.206 12.645 -13.779 1.00 0.00 H new ATOM 1574 N PRO A 97 -5.749 13.653 -14.714 1.00 0.00 N ATOM 1575 CA PRO A 97 -4.401 13.070 -14.641 1.00 0.00 C ATOM 1576 C PRO A 97 -4.295 11.900 -13.662 1.00 0.00 C ATOM 1577 O PRO A 97 -3.268 11.222 -13.604 1.00 0.00 O ATOM 1578 CB PRO A 97 -3.526 14.235 -14.163 1.00 0.00 C ATOM 1579 CG PRO A 97 -4.472 15.185 -13.515 1.00 0.00 C ATOM 1580 CD PRO A 97 -5.760 15.061 -14.275 1.00 0.00 C ATOM 0 HA PRO A 97 -4.106 12.653 -15.604 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.765 13.895 -13.461 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.004 14.705 -14.997 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.614 14.939 -12.463 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.091 16.205 -13.555 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.623 15.282 -13.646 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -5.798 15.748 -15.121 1.00 0.00 H new ATOM 1588 N TYR A 98 -5.355 11.654 -12.903 1.00 0.00 N ATOM 1589 CA TYR A 98 -5.333 10.598 -11.903 1.00 0.00 C ATOM 1590 C TYR A 98 -6.109 9.366 -12.355 1.00 0.00 C ATOM 1591 O TYR A 98 -6.390 8.484 -11.554 1.00 0.00 O ATOM 1592 CB TYR A 98 -5.852 11.101 -10.547 1.00 0.00 C ATOM 1593 CG TYR A 98 -7.155 11.873 -10.592 1.00 0.00 C ATOM 1594 CD1 TYR A 98 -8.376 11.218 -10.679 1.00 0.00 C ATOM 1595 CD2 TYR A 98 -7.160 13.261 -10.522 1.00 0.00 C ATOM 1596 CE1 TYR A 98 -9.564 11.923 -10.702 1.00 0.00 C ATOM 1597 CE2 TYR A 98 -8.345 13.972 -10.545 1.00 0.00 C ATOM 1598 CZ TYR A 98 -9.543 13.299 -10.637 1.00 0.00 C ATOM 1599 OH TYR A 98 -10.726 14.004 -10.664 1.00 0.00 O ATOM 0 H TYR A 98 -6.234 12.168 -12.961 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.291 10.302 -11.780 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -5.981 10.244 -9.886 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.089 11.737 -10.099 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.398 10.139 -10.730 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.223 13.793 -10.448 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -10.505 11.398 -10.771 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -8.332 15.051 -10.491 1.00 0.00 H new ATOM 0 HH TYR A 98 -11.454 13.435 -10.337 1.00 0.00 H new ATOM 1609 N ILE A 99 -6.440 9.291 -13.636 1.00 0.00 N ATOM 1610 CA ILE A 99 -7.081 8.093 -14.165 1.00 0.00 C ATOM 1611 C ILE A 99 -6.025 7.058 -14.547 1.00 0.00 C ATOM 1612 O ILE A 99 -5.222 7.273 -15.458 1.00 0.00 O ATOM 1613 CB ILE A 99 -8.006 8.407 -15.371 1.00 0.00 C ATOM 1614 CG1 ILE A 99 -9.388 8.867 -14.888 1.00 0.00 C ATOM 1615 CG2 ILE A 99 -8.163 7.193 -16.280 1.00 0.00 C ATOM 1616 CD1 ILE A 99 -9.379 10.159 -14.104 1.00 0.00 C ATOM 0 H ILE A 99 -6.279 10.031 -14.319 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.715 7.683 -13.378 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.538 9.210 -15.940 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.040 8.986 -15.753 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.822 8.083 -14.267 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.817 7.446 -17.115 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.186 6.895 -16.661 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.599 6.369 -15.715 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.396 10.409 -13.803 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.756 10.042 -13.217 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.978 10.959 -14.726 1.00 0.00 H new ATOM 1628 N LYS A 100 -6.004 5.956 -13.809 1.00 0.00 N ATOM 1629 CA LYS A 100 -5.070 4.865 -14.055 1.00 0.00 C ATOM 1630 C LYS A 100 -5.829 3.539 -14.038 1.00 0.00 C ATOM 1631 O LYS A 100 -7.022 3.515 -13.749 1.00 0.00 O ATOM 1632 CB LYS A 100 -3.977 4.833 -12.980 1.00 0.00 C ATOM 1633 CG LYS A 100 -3.206 6.133 -12.792 1.00 0.00 C ATOM 1634 CD LYS A 100 -2.396 6.499 -14.020 1.00 0.00 C ATOM 1635 CE LYS A 100 -1.471 7.676 -13.740 1.00 0.00 C ATOM 1636 NZ LYS A 100 -0.363 7.310 -12.814 1.00 0.00 N ATOM 0 H LYS A 100 -6.634 5.793 -13.023 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.601 5.019 -15.027 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.435 4.561 -12.029 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.269 4.043 -13.230 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.905 6.939 -12.566 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.540 6.038 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.808 5.639 -14.340 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.068 6.749 -14.841 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.053 8.039 -14.679 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.047 8.495 -13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.325 8.089 -12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.748 7.134 -11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.109 6.451 -13.160 1.00 0.00 H new ATOM 1650 N VAL A 101 -5.144 2.438 -14.319 1.00 0.00 N ATOM 1651 CA VAL A 101 -5.769 1.121 -14.276 1.00 0.00 C ATOM 1652 C VAL A 101 -4.979 0.213 -13.339 1.00 0.00 C ATOM 1653 O VAL A 101 -3.758 0.122 -13.442 1.00 0.00 O ATOM 1654 CB VAL A 101 -5.881 0.489 -15.686 1.00 0.00 C ATOM 1655 CG1 VAL A 101 -4.521 0.388 -16.359 1.00 0.00 C ATOM 1656 CG2 VAL A 101 -6.542 -0.879 -15.620 1.00 0.00 C ATOM 0 H VAL A 101 -4.158 2.430 -14.579 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.785 1.237 -13.898 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.508 1.147 -16.288 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.636 -0.060 -17.346 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.090 1.384 -16.460 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.861 -0.233 -15.754 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.608 -1.300 -16.623 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.949 -1.540 -14.988 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.544 -0.779 -15.202 1.00 0.00 H new ATOM 1666 N ASP A 102 -5.669 -0.428 -12.405 1.00 0.00 N ATOM 1667 CA ASP A 102 -4.988 -1.186 -11.359 1.00 0.00 C ATOM 1668 C ASP A 102 -4.626 -2.594 -11.800 1.00 0.00 C ATOM 1669 O ASP A 102 -5.492 -3.399 -12.141 1.00 0.00 O ATOM 1670 CB ASP A 102 -5.827 -1.264 -10.087 1.00 0.00 C ATOM 1671 CG ASP A 102 -5.082 -1.966 -8.976 1.00 0.00 C ATOM 1672 OD1 ASP A 102 -3.832 -1.921 -8.964 1.00 0.00 O ATOM 1673 OD2 ASP A 102 -5.735 -2.584 -8.124 1.00 0.00 O ATOM 0 H ASP A 102 -6.687 -0.440 -12.348 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.066 -0.642 -11.154 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.098 -0.258 -9.766 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.757 -1.794 -10.295 1.00 0.00 H new ATOM 1678 N TRP A 103 -3.335 -2.876 -11.793 1.00 0.00 N ATOM 1679 CA TRP A 103 -2.826 -4.196 -12.123 1.00 0.00 C ATOM 1680 C TRP A 103 -2.916 -5.163 -10.936 1.00 0.00 C ATOM 1681 O TRP A 103 -2.588 -6.342 -11.066 1.00 0.00 O ATOM 1682 CB TRP A 103 -1.378 -4.087 -12.605 1.00 0.00 C ATOM 1683 CG TRP A 103 -1.223 -3.280 -13.864 1.00 0.00 C ATOM 1684 CD1 TRP A 103 -1.282 -3.749 -15.142 1.00 0.00 C ATOM 1685 CD2 TRP A 103 -0.979 -1.868 -13.967 1.00 0.00 C ATOM 1686 NE1 TRP A 103 -1.082 -2.723 -16.033 1.00 0.00 N ATOM 1687 CE2 TRP A 103 -0.898 -1.559 -15.337 1.00 0.00 C ATOM 1688 CE3 TRP A 103 -0.821 -0.835 -13.037 1.00 0.00 C ATOM 1689 CZ2 TRP A 103 -0.665 -0.266 -15.799 1.00 0.00 C ATOM 1690 CZ3 TRP A 103 -0.593 0.448 -13.498 1.00 0.00 C ATOM 1691 CH2 TRP A 103 -0.517 0.722 -14.868 1.00 0.00 C ATOM 0 H TRP A 103 -2.611 -2.197 -11.559 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.450 -4.602 -12.920 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -0.774 -3.636 -11.817 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -0.984 -5.089 -12.774 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.460 -4.779 -15.415 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -1.072 -2.814 -17.049 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -0.876 -1.036 -11.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -0.604 -0.052 -16.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -0.471 1.253 -12.788 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.338 1.735 -15.196 1.00 0.00 H new ATOM 1702 N ASN A 104 -3.336 -4.669 -9.777 1.00 0.00 N ATOM 1703 CA ASN A 104 -3.393 -5.503 -8.574 1.00 0.00 C ATOM 1704 C ASN A 104 -4.786 -6.082 -8.351 1.00 0.00 C ATOM 1705 O ASN A 104 -4.959 -7.296 -8.262 1.00 0.00 O ATOM 1706 CB ASN A 104 -2.960 -4.710 -7.335 1.00 0.00 C ATOM 1707 CG ASN A 104 -1.465 -4.451 -7.288 1.00 0.00 C ATOM 1708 OD1 ASN A 104 -0.800 -4.335 -8.318 1.00 0.00 O ATOM 1709 ND2 ASN A 104 -0.923 -4.363 -6.086 1.00 0.00 N ATOM 0 H ASN A 104 -3.640 -3.705 -9.641 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.700 -6.330 -8.730 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.489 -3.757 -7.318 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.257 -5.256 -6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 104 0.078 -4.194 -5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.506 -4.464 -5.255 1.00 0.00 H new ATOM 1716 N LYS A 105 -5.776 -5.214 -8.266 1.00 0.00 N ATOM 1717 CA LYS A 105 -7.140 -5.626 -7.953 1.00 0.00 C ATOM 1718 C LYS A 105 -7.955 -5.767 -9.236 1.00 0.00 C ATOM 1719 O LYS A 105 -9.191 -5.789 -9.199 1.00 0.00 O ATOM 1720 CB LYS A 105 -7.814 -4.616 -7.016 1.00 0.00 C ATOM 1721 CG LYS A 105 -6.964 -4.202 -5.816 1.00 0.00 C ATOM 1722 CD LYS A 105 -6.624 -5.367 -4.893 1.00 0.00 C ATOM 1723 CE LYS A 105 -7.854 -5.922 -4.188 1.00 0.00 C ATOM 1724 NZ LYS A 105 -7.490 -6.817 -3.055 1.00 0.00 N ATOM 0 H LYS A 105 -5.664 -4.210 -8.410 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.096 -6.591 -7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.072 -3.725 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.749 -5.043 -6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.040 -3.747 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.496 -3.439 -5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.151 -6.160 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.898 -5.039 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.463 -5.097 -3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.465 -6.473 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.356 -7.173 -2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.931 -7.618 -3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.929 -6.285 -2.359 1.00 0.00 H new ATOM 1738 N TRP A 106 -7.243 -5.852 -10.360 1.00 0.00 N ATOM 1739 CA TRP A 106 -7.845 -5.899 -11.693 1.00 0.00 C ATOM 1740 C TRP A 106 -8.958 -6.940 -11.789 1.00 0.00 C ATOM 1741 O TRP A 106 -8.976 -7.919 -11.045 1.00 0.00 O ATOM 1742 CB TRP A 106 -6.767 -6.199 -12.744 1.00 0.00 C ATOM 1743 CG TRP A 106 -6.102 -7.538 -12.577 1.00 0.00 C ATOM 1744 CD1 TRP A 106 -5.231 -7.909 -11.593 1.00 0.00 C ATOM 1745 CD2 TRP A 106 -6.248 -8.684 -13.429 1.00 0.00 C ATOM 1746 NE1 TRP A 106 -4.834 -9.211 -11.774 1.00 0.00 N ATOM 1747 CE2 TRP A 106 -5.445 -9.708 -12.893 1.00 0.00 C ATOM 1748 CE3 TRP A 106 -6.982 -8.942 -14.590 1.00 0.00 C ATOM 1749 CZ2 TRP A 106 -5.353 -10.969 -13.481 1.00 0.00 C ATOM 1750 CZ3 TRP A 106 -6.891 -10.195 -15.168 1.00 0.00 C ATOM 1751 CH2 TRP A 106 -6.084 -11.193 -14.611 1.00 0.00 C ATOM 0 H TRP A 106 -6.224 -5.890 -10.371 1.00 0.00 H new ATOM 0 HA TRP A 106 -8.290 -4.922 -11.882 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -7.218 -6.150 -13.735 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -6.006 -5.420 -12.701 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -4.901 -7.270 -10.787 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -4.189 -9.724 -11.173 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -7.608 -8.178 -15.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -4.726 -11.740 -13.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -7.453 -10.407 -16.066 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.039 -12.162 -15.086 1.00 0.00 H new