USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=26 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 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -18:sc= 1.26 USER MOD Single : A 11 GLN : amide:sc= -1.75 K(o=-1.7,f=-7!) USER MOD Single : A 13 SER OG : rot -71:sc= 1.28 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -119:sc=-0.00735 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 1.23 (180deg=0.904) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc=-0.00537 (180deg=-0.136) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 39 SER OG : rot 19:sc= -0.218 USER MOD Single : A 41 SER OG : rot 160:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0398 X(o=-0.04,f=-0.082) USER MOD Single : A 53 SER OG : rot -95:sc= 1.04 USER MOD Single : A 57 TYR OH : rot 48:sc= 1.31 USER MOD Single : A 59 LYS NZ :NH3+ 143:sc= 0.429 (180deg=-0.516!) USER MOD Single : A 61 MET CE :methyl -121:sc= 0 (180deg=-0.87) USER MOD Single : A 62 THR OG1 : rot -20:sc= 0.651 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -0.162 (180deg=-0.813) USER MOD Single : A 67 ASN : amide:sc= -0.0127 K(o=-0.013,f=-0.53) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.185 F(o=-1.5,f=-0.18) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0339 K(o=-0.034,f=-0.87) USER MOD Single : A 79 LYS NZ :NH3+ 150:sc= -0.254 (180deg=-2.27!) USER MOD Single : A 90 LYS NZ :NH3+ 139:sc= 1.23 (180deg=0.753) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.12) USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.17) USER MOD Single : A 104 ASN : amide:sc= 0.878 K(o=0.88,f=-0.012) USER MOD Single : A 105 LYS NZ :NH3+ -161:sc= -0.0413 (180deg=-0.346) USER MOD ----------------------------------------------------------------- ATOM 14 N SER A 2 -6.547 22.467 -3.848 1.00 0.00 N ATOM 15 CA SER A 2 -6.818 21.481 -4.876 1.00 0.00 C ATOM 16 C SER A 2 -5.550 20.762 -5.331 1.00 0.00 C ATOM 17 O SER A 2 -4.766 21.286 -6.121 1.00 0.00 O ATOM 18 CB SER A 2 -7.514 22.146 -6.060 1.00 0.00 C ATOM 19 OG SER A 2 -8.683 22.827 -5.629 1.00 0.00 O ATOM 0 HA SER A 2 -7.476 20.725 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.834 22.848 -6.542 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.777 21.394 -6.804 1.00 0.00 H new ATOM 0 HG SER A 2 -8.951 22.492 -4.748 1.00 0.00 H new ATOM 25 N ARG A 3 -5.342 19.570 -4.788 1.00 0.00 N ATOM 26 CA ARG A 3 -4.275 18.685 -5.238 1.00 0.00 C ATOM 27 C ARG A 3 -4.875 17.313 -5.504 1.00 0.00 C ATOM 28 O ARG A 3 -5.725 16.854 -4.738 1.00 0.00 O ATOM 29 CB ARG A 3 -3.152 18.551 -4.199 1.00 0.00 C ATOM 30 CG ARG A 3 -2.573 19.865 -3.700 1.00 0.00 C ATOM 31 CD ARG A 3 -3.327 20.377 -2.483 1.00 0.00 C ATOM 32 NE ARG A 3 -2.718 21.585 -1.929 1.00 0.00 N ATOM 33 CZ ARG A 3 -2.966 22.056 -0.708 1.00 0.00 C ATOM 34 NH1 ARG A 3 -3.809 21.422 0.102 1.00 0.00 N ATOM 35 NH2 ARG A 3 -2.366 23.165 -0.293 1.00 0.00 N ATOM 0 H ARG A 3 -5.905 19.190 -4.027 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.835 19.110 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.534 17.993 -3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.346 17.958 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.521 19.728 -3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.616 20.609 -4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.361 20.586 -2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.352 19.600 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.061 22.100 -2.515 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.271 20.568 -0.210 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.993 21.790 1.035 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.717 23.655 -0.909 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.554 23.528 0.642 1.00 0.00 H new ATOM 49 N ASN A 4 -4.437 16.658 -6.568 1.00 0.00 N ATOM 50 CA ASN A 4 -5.040 15.393 -6.977 1.00 0.00 C ATOM 51 C ASN A 4 -4.047 14.242 -6.842 1.00 0.00 C ATOM 52 O ASN A 4 -2.933 14.311 -7.368 1.00 0.00 O ATOM 53 CB ASN A 4 -5.540 15.470 -8.422 1.00 0.00 C ATOM 54 CG ASN A 4 -6.517 16.608 -8.659 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.123 17.700 -9.072 1.00 0.00 O ATOM 56 ND2 ASN A 4 -7.794 16.363 -8.407 1.00 0.00 N ATOM 0 H ASN A 4 -3.672 16.976 -7.162 1.00 0.00 H new ATOM 0 HA ASN A 4 -5.887 15.206 -6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.686 15.589 -9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.020 14.527 -8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.492 17.092 -8.554 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.080 15.445 -8.066 1.00 0.00 H new ATOM 63 N PRO A 5 -4.432 13.177 -6.123 1.00 0.00 N ATOM 64 CA PRO A 5 -3.613 11.976 -5.972 1.00 0.00 C ATOM 65 C PRO A 5 -3.754 11.032 -7.168 1.00 0.00 C ATOM 66 O PRO A 5 -4.450 11.344 -8.133 1.00 0.00 O ATOM 67 CB PRO A 5 -4.165 11.309 -4.701 1.00 0.00 C ATOM 68 CG PRO A 5 -5.301 12.169 -4.231 1.00 0.00 C ATOM 69 CD PRO A 5 -5.690 13.049 -5.384 1.00 0.00 C ATOM 0 HA PRO A 5 -2.552 12.216 -5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.506 10.295 -4.911 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.393 11.233 -3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -6.144 11.555 -3.913 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.001 12.769 -3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.474 12.598 -5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.064 14.016 -5.048 1.00 0.00 H new ATOM 77 N GLU A 6 -3.096 9.879 -7.098 1.00 0.00 N ATOM 78 CA GLU A 6 -3.148 8.900 -8.180 1.00 0.00 C ATOM 79 C GLU A 6 -4.338 7.962 -7.981 1.00 0.00 C ATOM 80 O GLU A 6 -4.590 7.487 -6.871 1.00 0.00 O ATOM 81 CB GLU A 6 -1.837 8.110 -8.238 1.00 0.00 C ATOM 82 CG GLU A 6 -1.642 7.327 -9.530 1.00 0.00 C ATOM 83 CD GLU A 6 -0.298 6.628 -9.592 1.00 0.00 C ATOM 84 OE1 GLU A 6 0.674 7.139 -8.994 1.00 0.00 O ATOM 85 OE2 GLU A 6 -0.202 5.562 -10.241 1.00 0.00 O ATOM 0 H GLU A 6 -2.520 9.599 -6.304 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.276 9.422 -9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.003 8.801 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.805 7.417 -7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.437 6.587 -9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.734 8.005 -10.379 1.00 0.00 H new ATOM 92 N VAL A 7 -5.064 7.697 -9.061 1.00 0.00 N ATOM 93 CA VAL A 7 -6.320 6.962 -8.984 1.00 0.00 C ATOM 94 C VAL A 7 -6.351 5.781 -9.957 1.00 0.00 C ATOM 95 O VAL A 7 -6.248 5.960 -11.167 1.00 0.00 O ATOM 96 CB VAL A 7 -7.510 7.903 -9.283 1.00 0.00 C ATOM 97 CG1 VAL A 7 -8.802 7.118 -9.486 1.00 0.00 C ATOM 98 CG2 VAL A 7 -7.683 8.923 -8.161 1.00 0.00 C ATOM 0 H VAL A 7 -4.802 7.982 -10.005 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.403 6.570 -7.970 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.288 8.433 -10.209 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.619 7.809 -9.694 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.683 6.433 -10.325 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.028 6.550 -8.584 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.525 9.576 -8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.872 8.403 -7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.776 9.520 -8.069 1.00 0.00 H new ATOM 108 N LEU A 8 -6.485 4.575 -9.419 1.00 0.00 N ATOM 109 CA LEU A 8 -6.638 3.381 -10.245 1.00 0.00 C ATOM 110 C LEU A 8 -8.043 2.814 -10.091 1.00 0.00 C ATOM 111 O LEU A 8 -8.663 2.970 -9.043 1.00 0.00 O ATOM 112 CB LEU A 8 -5.622 2.309 -9.847 1.00 0.00 C ATOM 113 CG LEU A 8 -4.193 2.797 -9.660 1.00 0.00 C ATOM 114 CD1 LEU A 8 -3.316 1.675 -9.129 1.00 0.00 C ATOM 115 CD2 LEU A 8 -3.632 3.336 -10.966 1.00 0.00 C ATOM 0 H LEU A 8 -6.491 4.397 -8.415 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.466 3.667 -11.283 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.954 1.846 -8.918 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.624 1.530 -10.610 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.201 3.608 -8.932 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.297 2.040 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.703 1.334 -8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.318 0.846 -9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.610 3.679 -10.809 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.638 2.547 -11.718 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.246 4.169 -11.309 1.00 0.00 H new ATOM 127 N TRP A 9 -8.552 2.175 -11.133 1.00 0.00 N ATOM 128 CA TRP A 9 -9.838 1.491 -11.045 1.00 0.00 C ATOM 129 C TRP A 9 -9.750 0.095 -11.648 1.00 0.00 C ATOM 130 O TRP A 9 -8.898 -0.174 -12.499 1.00 0.00 O ATOM 131 CB TRP A 9 -10.945 2.297 -11.731 1.00 0.00 C ATOM 132 CG TRP A 9 -10.692 2.550 -13.186 1.00 0.00 C ATOM 133 CD1 TRP A 9 -9.810 3.443 -13.705 1.00 0.00 C ATOM 134 CD2 TRP A 9 -11.328 1.917 -14.302 1.00 0.00 C ATOM 135 NE1 TRP A 9 -9.847 3.406 -15.079 1.00 0.00 N ATOM 136 CE2 TRP A 9 -10.772 2.476 -15.470 1.00 0.00 C ATOM 137 CE3 TRP A 9 -12.310 0.932 -14.429 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -11.168 2.082 -16.746 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -12.700 0.541 -15.697 1.00 0.00 C ATOM 140 CH2 TRP A 9 -12.130 1.115 -16.840 1.00 0.00 C ATOM 0 H TRP A 9 -8.100 2.114 -12.045 1.00 0.00 H new ATOM 0 HA TRP A 9 -10.091 1.399 -9.989 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -11.890 1.765 -11.623 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -11.057 3.253 -11.219 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -9.171 4.090 -13.122 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.279 3.978 -15.704 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -12.756 0.484 -13.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.731 2.524 -17.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -13.458 -0.221 -15.808 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -12.457 0.787 -17.816 1.00 0.00 H new ATOM 151 N ALA A 10 -10.633 -0.781 -11.198 1.00 0.00 N ATOM 152 CA ALA A 10 -10.678 -2.161 -11.671 1.00 0.00 C ATOM 153 C ALA A 10 -12.107 -2.690 -11.614 1.00 0.00 C ATOM 154 O ALA A 10 -12.789 -2.530 -10.603 1.00 0.00 O ATOM 155 CB ALA A 10 -9.747 -3.041 -10.844 1.00 0.00 C ATOM 0 H ALA A 10 -11.339 -0.559 -10.496 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.339 -2.186 -12.707 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.794 -4.066 -11.211 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.725 -2.671 -10.930 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.055 -3.016 -9.799 1.00 0.00 H new ATOM 161 N GLN A 11 -12.545 -3.329 -12.691 1.00 0.00 N ATOM 162 CA GLN A 11 -13.934 -3.765 -12.816 1.00 0.00 C ATOM 163 C GLN A 11 -14.104 -5.237 -12.464 1.00 0.00 C ATOM 164 O GLN A 11 -13.356 -6.089 -12.944 1.00 0.00 O ATOM 165 CB GLN A 11 -14.431 -3.535 -14.245 1.00 0.00 C ATOM 166 CG GLN A 11 -14.665 -2.076 -14.591 1.00 0.00 C ATOM 167 CD GLN A 11 -15.913 -1.513 -13.940 1.00 0.00 C ATOM 168 OE1 GLN A 11 -16.321 -1.945 -12.865 1.00 0.00 O ATOM 169 NE2 GLN A 11 -16.529 -0.542 -14.594 1.00 0.00 N ATOM 0 H GLN A 11 -11.959 -3.558 -13.494 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.520 -3.174 -12.112 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.704 -3.951 -14.943 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.361 -4.085 -14.388 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.801 -1.490 -14.278 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.746 -1.972 -15.673 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.158 -0.211 -15.485 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.375 -0.124 -14.208 1.00 0.00 H new ATOM 178 N ARG A 12 -15.091 -5.523 -11.622 1.00 0.00 N ATOM 179 CA ARG A 12 -15.501 -6.893 -11.332 1.00 0.00 C ATOM 180 C ARG A 12 -17.019 -6.987 -11.445 1.00 0.00 C ATOM 181 O ARG A 12 -17.675 -6.016 -11.825 1.00 0.00 O ATOM 182 CB ARG A 12 -15.046 -7.335 -9.932 1.00 0.00 C ATOM 183 CG ARG A 12 -13.534 -7.332 -9.742 1.00 0.00 C ATOM 184 CD ARG A 12 -12.825 -8.196 -10.780 1.00 0.00 C ATOM 185 NE ARG A 12 -13.017 -9.630 -10.569 1.00 0.00 N ATOM 186 CZ ARG A 12 -13.376 -10.482 -11.532 1.00 0.00 C ATOM 187 NH1 ARG A 12 -13.745 -10.030 -12.725 1.00 0.00 N ATOM 188 NH2 ARG A 12 -13.382 -11.785 -11.294 1.00 0.00 N ATOM 0 H ARG A 12 -15.628 -4.814 -11.122 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.028 -7.560 -12.053 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.496 -6.676 -9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.424 -8.339 -9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.163 -6.309 -9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.294 -7.695 -8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.188 -7.930 -11.773 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.758 -7.973 -10.761 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.868 -10.001 -9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.755 -9.027 -12.910 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.018 -10.686 -13.457 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.112 -12.137 -10.375 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.656 -12.436 -12.029 1.00 0.00 H new ATOM 202 N SER A 13 -17.578 -8.141 -11.127 1.00 0.00 N ATOM 203 CA SER A 13 -19.017 -8.324 -11.207 1.00 0.00 C ATOM 204 C SER A 13 -19.723 -7.500 -10.132 1.00 0.00 C ATOM 205 O SER A 13 -19.461 -7.666 -8.938 1.00 0.00 O ATOM 206 CB SER A 13 -19.380 -9.806 -11.062 1.00 0.00 C ATOM 207 OG SER A 13 -20.761 -10.032 -11.311 1.00 0.00 O ATOM 0 H SER A 13 -17.061 -8.962 -10.812 1.00 0.00 H new ATOM 0 HA SER A 13 -19.351 -7.978 -12.185 1.00 0.00 H new ATOM 0 HB2 SER A 13 -18.783 -10.397 -11.756 1.00 0.00 H new ATOM 0 HB3 SER A 13 -19.130 -10.146 -10.057 1.00 0.00 H new ATOM 0 HG SER A 13 -21.291 -9.665 -10.573 1.00 0.00 H new ATOM 213 N ASP A 14 -20.567 -6.570 -10.588 1.00 0.00 N ATOM 214 CA ASP A 14 -21.474 -5.797 -9.726 1.00 0.00 C ATOM 215 C ASP A 14 -20.765 -4.642 -9.026 1.00 0.00 C ATOM 216 O ASP A 14 -21.394 -3.645 -8.672 1.00 0.00 O ATOM 217 CB ASP A 14 -22.159 -6.688 -8.675 1.00 0.00 C ATOM 218 CG ASP A 14 -23.034 -7.766 -9.283 1.00 0.00 C ATOM 219 OD1 ASP A 14 -22.499 -8.826 -9.675 1.00 0.00 O ATOM 220 OD2 ASP A 14 -24.262 -7.565 -9.363 1.00 0.00 O ATOM 0 H ASP A 14 -20.643 -6.328 -11.576 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.233 -5.382 -10.389 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -21.396 -7.156 -8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -22.766 -6.064 -8.019 1.00 0.00 H new ATOM 225 N LYS A 15 -19.463 -4.763 -8.831 1.00 0.00 N ATOM 226 CA LYS A 15 -18.722 -3.781 -8.057 1.00 0.00 C ATOM 227 C LYS A 15 -17.385 -3.444 -8.702 1.00 0.00 C ATOM 228 O LYS A 15 -16.729 -4.300 -9.297 1.00 0.00 O ATOM 229 CB LYS A 15 -18.520 -4.297 -6.631 1.00 0.00 C ATOM 230 CG LYS A 15 -17.966 -5.713 -6.571 1.00 0.00 C ATOM 231 CD LYS A 15 -18.072 -6.302 -5.173 1.00 0.00 C ATOM 232 CE LYS A 15 -19.510 -6.312 -4.680 1.00 0.00 C ATOM 233 NZ LYS A 15 -19.655 -7.021 -3.383 1.00 0.00 N ATOM 0 H LYS A 15 -18.898 -5.529 -9.197 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.304 -2.860 -8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.841 -3.627 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.473 -4.266 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.508 -6.345 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.922 -5.709 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.680 -7.319 -5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.455 -5.724 -4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.862 -5.286 -4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.145 -6.790 -5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.652 -7.002 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.344 -8.008 -3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.071 -6.550 -2.663 1.00 0.00 H new ATOM 247 N VAL A 16 -16.999 -2.184 -8.577 1.00 0.00 N ATOM 248 CA VAL A 16 -15.745 -1.696 -9.115 1.00 0.00 C ATOM 249 C VAL A 16 -14.839 -1.256 -7.971 1.00 0.00 C ATOM 250 O VAL A 16 -15.309 -0.723 -6.962 1.00 0.00 O ATOM 251 CB VAL A 16 -15.976 -0.519 -10.102 1.00 0.00 C ATOM 252 CG1 VAL A 16 -16.752 0.612 -9.444 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.662 0.003 -10.669 1.00 0.00 C ATOM 0 H VAL A 16 -17.550 -1.472 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.267 -2.504 -9.669 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.571 -0.909 -10.928 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.897 1.420 -10.162 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.723 0.243 -9.113 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -16.194 0.985 -8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.863 0.826 -11.355 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.029 0.356 -9.855 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.152 -0.799 -11.203 1.00 0.00 H new ATOM 263 N TYR A 17 -13.548 -1.511 -8.106 1.00 0.00 N ATOM 264 CA TYR A 17 -12.594 -1.114 -7.088 1.00 0.00 C ATOM 265 C TYR A 17 -11.990 0.230 -7.436 1.00 0.00 C ATOM 266 O TYR A 17 -11.723 0.513 -8.605 1.00 0.00 O ATOM 267 CB TYR A 17 -11.465 -2.134 -6.950 1.00 0.00 C ATOM 268 CG TYR A 17 -11.912 -3.524 -6.572 1.00 0.00 C ATOM 269 CD1 TYR A 17 -12.884 -3.732 -5.599 1.00 0.00 C ATOM 270 CD2 TYR A 17 -11.345 -4.633 -7.182 1.00 0.00 C ATOM 271 CE1 TYR A 17 -13.278 -5.012 -5.250 1.00 0.00 C ATOM 272 CE2 TYR A 17 -11.731 -5.908 -6.839 1.00 0.00 C ATOM 273 CZ TYR A 17 -12.695 -6.097 -5.875 1.00 0.00 C ATOM 274 OH TYR A 17 -13.078 -7.376 -5.538 1.00 0.00 O ATOM 0 H TYR A 17 -13.139 -1.990 -8.908 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.134 -1.054 -6.143 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.924 -2.186 -7.895 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.761 -1.777 -6.198 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.337 -2.883 -5.109 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.588 -4.493 -7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.035 -5.161 -4.495 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.278 -6.759 -7.325 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.570 -8.021 -6.073 1.00 0.00 H new ATOM 284 N LEU A 18 -11.781 1.049 -6.426 1.00 0.00 N ATOM 285 CA LEU A 18 -11.073 2.298 -6.604 1.00 0.00 C ATOM 286 C LEU A 18 -9.787 2.240 -5.799 1.00 0.00 C ATOM 287 O LEU A 18 -9.816 2.267 -4.570 1.00 0.00 O ATOM 288 CB LEU A 18 -11.931 3.481 -6.133 1.00 0.00 C ATOM 289 CG LEU A 18 -11.743 4.796 -6.901 1.00 0.00 C ATOM 290 CD1 LEU A 18 -10.345 5.356 -6.696 1.00 0.00 C ATOM 291 CD2 LEU A 18 -12.022 4.592 -8.381 1.00 0.00 C ATOM 0 H LEU A 18 -12.093 0.871 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.851 2.442 -7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.980 3.192 -6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.716 3.664 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.456 5.520 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.241 6.288 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.181 5.546 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.609 4.636 -7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.884 5.535 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.335 3.847 -8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.048 4.248 -8.514 1.00 0.00 H new ATOM 303 N THR A 19 -8.667 2.152 -6.487 1.00 0.00 N ATOM 304 CA THR A 19 -7.384 2.088 -5.826 1.00 0.00 C ATOM 305 C THR A 19 -6.830 3.491 -5.633 1.00 0.00 C ATOM 306 O THR A 19 -6.317 4.114 -6.569 1.00 0.00 O ATOM 307 CB THR A 19 -6.380 1.233 -6.625 1.00 0.00 C ATOM 308 OG1 THR A 19 -6.928 -0.071 -6.856 1.00 0.00 O ATOM 309 CG2 THR A 19 -5.059 1.102 -5.879 1.00 0.00 C ATOM 0 H THR A 19 -8.622 2.123 -7.506 1.00 0.00 H new ATOM 0 HA THR A 19 -7.530 1.616 -4.854 1.00 0.00 H new ATOM 0 HB THR A 19 -6.193 1.729 -7.577 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.352 -0.746 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.369 0.494 -6.465 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.629 2.092 -5.724 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.232 0.626 -4.914 1.00 0.00 H new ATOM 317 N VAL A 20 -6.964 3.995 -4.420 1.00 0.00 N ATOM 318 CA VAL A 20 -6.445 5.298 -4.070 1.00 0.00 C ATOM 319 C VAL A 20 -5.036 5.157 -3.505 1.00 0.00 C ATOM 320 O VAL A 20 -4.821 4.465 -2.500 1.00 0.00 O ATOM 321 CB VAL A 20 -7.366 6.008 -3.048 1.00 0.00 C ATOM 322 CG1 VAL A 20 -6.737 7.302 -2.546 1.00 0.00 C ATOM 323 CG2 VAL A 20 -8.734 6.285 -3.660 1.00 0.00 C ATOM 0 H VAL A 20 -7.434 3.512 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.411 5.910 -4.971 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.494 5.341 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.407 7.778 -1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.786 7.080 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.568 7.974 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.367 6.784 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.618 6.925 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.197 5.344 -3.958 1.00 0.00 H new ATOM 333 N ALA A 21 -4.077 5.792 -4.168 1.00 0.00 N ATOM 334 CA ALA A 21 -2.689 5.727 -3.746 1.00 0.00 C ATOM 335 C ALA A 21 -2.461 6.635 -2.549 1.00 0.00 C ATOM 336 O ALA A 21 -2.270 7.844 -2.689 1.00 0.00 O ATOM 337 CB ALA A 21 -1.764 6.105 -4.896 1.00 0.00 C ATOM 0 H ALA A 21 -4.239 6.358 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.461 4.703 -3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.728 6.051 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.914 5.415 -5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.987 7.120 -5.224 1.00 0.00 H new ATOM 343 N LEU A 22 -2.516 6.039 -1.371 1.00 0.00 N ATOM 344 CA LEU A 22 -2.377 6.771 -0.128 1.00 0.00 C ATOM 345 C LEU A 22 -1.759 5.882 0.941 1.00 0.00 C ATOM 346 O LEU A 22 -2.387 4.930 1.406 1.00 0.00 O ATOM 347 CB LEU A 22 -3.748 7.284 0.325 1.00 0.00 C ATOM 348 CG LEU A 22 -3.771 8.022 1.665 1.00 0.00 C ATOM 349 CD1 LEU A 22 -2.765 9.159 1.666 1.00 0.00 C ATOM 350 CD2 LEU A 22 -5.170 8.552 1.950 1.00 0.00 C ATOM 0 H LEU A 22 -2.658 5.036 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.717 7.624 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.137 7.952 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.430 6.436 0.386 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.496 7.319 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.796 9.672 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.764 8.760 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.011 9.863 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.173 9.075 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.466 9.241 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.873 7.720 1.989 1.00 0.00 H new ATOM 362 N PRO A 23 -0.500 6.157 1.314 1.00 0.00 N ATOM 363 CA PRO A 23 0.194 5.392 2.350 1.00 0.00 C ATOM 364 C PRO A 23 -0.376 5.648 3.746 1.00 0.00 C ATOM 365 O PRO A 23 -0.750 4.714 4.458 1.00 0.00 O ATOM 366 CB PRO A 23 1.641 5.889 2.256 1.00 0.00 C ATOM 367 CG PRO A 23 1.549 7.244 1.637 1.00 0.00 C ATOM 368 CD PRO A 23 0.346 7.220 0.736 1.00 0.00 C ATOM 0 HA PRO A 23 0.091 4.318 2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.106 5.937 3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.249 5.219 1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.446 8.014 2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.452 7.475 1.072 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.168 8.181 0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.622 6.997 -0.295 1.00 0.00 H new ATOM 376 N ASP A 24 -0.446 6.920 4.127 1.00 0.00 N ATOM 377 CA ASP A 24 -0.950 7.308 5.438 1.00 0.00 C ATOM 378 C ASP A 24 -2.304 7.983 5.300 1.00 0.00 C ATOM 379 O ASP A 24 -2.391 9.158 4.934 1.00 0.00 O ATOM 380 CB ASP A 24 0.037 8.249 6.130 1.00 0.00 C ATOM 381 CG ASP A 24 -0.315 8.482 7.583 1.00 0.00 C ATOM 382 OD1 ASP A 24 -1.117 9.390 7.871 1.00 0.00 O ATOM 383 OD2 ASP A 24 0.217 7.754 8.448 1.00 0.00 O ATOM 0 H ASP A 24 -0.158 7.704 3.541 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.063 6.411 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.041 7.831 6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.054 9.204 5.605 1.00 0.00 H new ATOM 388 N ALA A 25 -3.358 7.234 5.581 1.00 0.00 N ATOM 389 CA ALA A 25 -4.718 7.708 5.361 1.00 0.00 C ATOM 390 C ALA A 25 -5.286 8.411 6.587 1.00 0.00 C ATOM 391 O ALA A 25 -5.252 7.868 7.694 1.00 0.00 O ATOM 392 CB ALA A 25 -5.608 6.543 4.973 1.00 0.00 C ATOM 0 H ALA A 25 -3.299 6.290 5.964 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.688 8.438 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.625 6.901 4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.232 6.087 4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.608 5.803 5.773 1.00 0.00 H new ATOM 398 N LYS A 26 -5.812 9.617 6.382 1.00 0.00 N ATOM 399 CA LYS A 26 -6.485 10.361 7.442 1.00 0.00 C ATOM 400 C LYS A 26 -7.634 11.188 6.871 1.00 0.00 C ATOM 401 O LYS A 26 -7.560 11.654 5.731 1.00 0.00 O ATOM 402 CB LYS A 26 -5.495 11.278 8.174 1.00 0.00 C ATOM 403 CG LYS A 26 -4.581 10.551 9.152 1.00 0.00 C ATOM 404 CD LYS A 26 -3.493 11.467 9.685 1.00 0.00 C ATOM 405 CE LYS A 26 -2.643 10.783 10.747 1.00 0.00 C ATOM 406 NZ LYS A 26 -2.095 9.480 10.285 1.00 0.00 N ATOM 0 H LYS A 26 -5.784 10.101 5.485 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.889 9.642 8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.882 11.795 7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.055 12.041 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.171 10.163 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.125 9.693 8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.855 11.790 8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.948 12.364 10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.820 11.440 11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.244 10.624 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.418 9.120 10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.872 8.798 10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.612 9.610 9.373 1.00 0.00 H new ATOM 420 N ASP A 27 -8.703 11.328 7.657 1.00 0.00 N ATOM 421 CA ASP A 27 -9.834 12.208 7.327 1.00 0.00 C ATOM 422 C ASP A 27 -10.416 11.929 5.945 1.00 0.00 C ATOM 423 O ASP A 27 -10.780 12.855 5.220 1.00 0.00 O ATOM 424 CB ASP A 27 -9.420 13.678 7.422 1.00 0.00 C ATOM 425 CG ASP A 27 -9.492 14.218 8.835 1.00 0.00 C ATOM 426 OD1 ASP A 27 -8.685 13.792 9.685 1.00 0.00 O ATOM 427 OD2 ASP A 27 -10.358 15.084 9.100 1.00 0.00 O ATOM 0 H ASP A 27 -8.813 10.835 8.543 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.612 11.996 8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.403 13.789 7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.065 14.275 6.777 1.00 0.00 H new ATOM 432 N ILE A 28 -10.538 10.660 5.596 1.00 0.00 N ATOM 433 CA ILE A 28 -11.087 10.292 4.302 1.00 0.00 C ATOM 434 C ILE A 28 -12.607 10.419 4.302 1.00 0.00 C ATOM 435 O ILE A 28 -13.313 9.628 4.932 1.00 0.00 O ATOM 436 CB ILE A 28 -10.692 8.858 3.895 1.00 0.00 C ATOM 437 CG1 ILE A 28 -9.170 8.731 3.818 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.324 8.489 2.556 1.00 0.00 C ATOM 439 CD1 ILE A 28 -8.702 7.351 3.421 1.00 0.00 C ATOM 0 H ILE A 28 -10.267 9.873 6.185 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.665 10.983 3.572 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.063 8.168 4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.788 9.457 3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.742 8.987 4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.034 7.474 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.409 8.547 2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.980 9.182 1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.613 7.332 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.054 6.623 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.101 7.100 2.438 1.00 0.00 H new ATOM 451 N SER A 29 -13.095 11.432 3.607 1.00 0.00 N ATOM 452 CA SER A 29 -14.520 11.654 3.456 1.00 0.00 C ATOM 453 C SER A 29 -14.907 11.465 1.995 1.00 0.00 C ATOM 454 O SER A 29 -14.462 12.214 1.124 1.00 0.00 O ATOM 455 CB SER A 29 -14.882 13.065 3.934 1.00 0.00 C ATOM 456 OG SER A 29 -16.284 13.284 3.930 1.00 0.00 O ATOM 0 H SER A 29 -12.514 12.123 3.132 1.00 0.00 H new ATOM 0 HA SER A 29 -15.070 10.935 4.063 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.494 13.217 4.941 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.398 13.801 3.292 1.00 0.00 H new ATOM 0 HG SER A 29 -16.474 14.193 4.242 1.00 0.00 H new ATOM 462 N VAL A 30 -15.710 10.450 1.722 1.00 0.00 N ATOM 463 CA VAL A 30 -16.099 10.139 0.357 1.00 0.00 C ATOM 464 C VAL A 30 -17.598 10.322 0.176 1.00 0.00 C ATOM 465 O VAL A 30 -18.397 9.630 0.810 1.00 0.00 O ATOM 466 CB VAL A 30 -15.719 8.694 -0.040 1.00 0.00 C ATOM 467 CG1 VAL A 30 -15.982 8.458 -1.518 1.00 0.00 C ATOM 468 CG2 VAL A 30 -14.264 8.400 0.310 1.00 0.00 C ATOM 0 H VAL A 30 -16.105 9.828 2.427 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.557 10.828 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.345 8.007 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -15.708 7.435 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -17.040 8.615 -1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -15.387 9.154 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.020 7.378 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.614 9.093 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.117 8.519 1.383 1.00 0.00 H new ATOM 478 N LYS A 31 -17.974 11.257 -0.679 1.00 0.00 N ATOM 479 CA LYS A 31 -19.375 11.490 -0.982 1.00 0.00 C ATOM 480 C LYS A 31 -19.579 11.456 -2.487 1.00 0.00 C ATOM 481 O LYS A 31 -19.067 12.320 -3.201 1.00 0.00 O ATOM 482 CB LYS A 31 -19.832 12.837 -0.411 1.00 0.00 C ATOM 483 CG LYS A 31 -21.332 13.070 -0.505 1.00 0.00 C ATOM 484 CD LYS A 31 -22.114 12.034 0.292 1.00 0.00 C ATOM 485 CE LYS A 31 -21.811 12.122 1.782 1.00 0.00 C ATOM 486 NZ LYS A 31 -22.249 13.416 2.369 1.00 0.00 N ATOM 0 H LYS A 31 -17.327 11.868 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.975 10.706 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -19.530 12.899 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.316 13.638 -0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -21.569 14.068 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -21.641 13.035 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -23.182 12.180 0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.869 11.036 -0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -22.308 11.303 2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.740 11.997 1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -22.196 13.362 3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -21.629 14.179 2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -23.229 13.613 2.082 1.00 0.00 H new ATOM 500 N CYS A 32 -20.308 10.444 -2.955 1.00 0.00 N ATOM 501 CA CYS A 32 -20.533 10.230 -4.382 1.00 0.00 C ATOM 502 C CYS A 32 -22.028 10.158 -4.706 1.00 0.00 C ATOM 503 O CYS A 32 -22.795 9.568 -3.947 1.00 0.00 O ATOM 504 CB CYS A 32 -19.848 8.934 -4.821 1.00 0.00 C ATOM 505 SG CYS A 32 -18.047 8.966 -4.660 1.00 0.00 S ATOM 0 H CYS A 32 -20.758 9.751 -2.357 1.00 0.00 H new ATOM 0 HA CYS A 32 -20.109 11.076 -4.924 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -20.241 8.108 -4.228 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -20.107 8.732 -5.860 1.00 0.00 H new ATOM 0 HG CYS A 32 -17.556 7.828 -5.052 1.00 0.00 H new ATOM 511 N GLU A 33 -22.447 10.769 -5.822 1.00 0.00 N ATOM 512 CA GLU A 33 -23.800 10.589 -6.314 1.00 0.00 C ATOM 513 C GLU A 33 -23.803 9.401 -7.260 1.00 0.00 C ATOM 514 O GLU A 33 -22.736 8.975 -7.704 1.00 0.00 O ATOM 515 CB GLU A 33 -24.279 11.839 -7.060 1.00 0.00 C ATOM 516 CG GLU A 33 -24.945 12.884 -6.183 1.00 0.00 C ATOM 517 CD GLU A 33 -26.434 12.652 -6.024 1.00 0.00 C ATOM 518 OE1 GLU A 33 -27.192 12.969 -6.967 1.00 0.00 O ATOM 519 OE2 GLU A 33 -26.856 12.155 -4.962 1.00 0.00 O ATOM 0 H GLU A 33 -21.866 11.386 -6.390 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.473 10.417 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.426 12.296 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -24.981 11.535 -7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -24.474 12.881 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -24.779 13.872 -6.613 1.00 0.00 H new ATOM 526 N PRO A 34 -24.980 8.853 -7.596 1.00 0.00 N ATOM 527 CA PRO A 34 -25.100 7.810 -8.626 1.00 0.00 C ATOM 528 C PRO A 34 -24.662 8.306 -10.008 1.00 0.00 C ATOM 529 O PRO A 34 -24.849 7.621 -11.009 1.00 0.00 O ATOM 530 CB PRO A 34 -26.599 7.475 -8.629 1.00 0.00 C ATOM 531 CG PRO A 34 -27.105 7.961 -7.315 1.00 0.00 C ATOM 532 CD PRO A 34 -26.280 9.167 -6.982 1.00 0.00 C ATOM 0 HA PRO A 34 -24.460 6.954 -8.412 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -27.112 7.967 -9.456 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -26.764 6.404 -8.744 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -28.163 8.215 -7.373 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -27.003 7.193 -6.548 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -26.712 10.079 -7.394 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -26.194 9.313 -5.905 1.00 0.00 H new ATOM 540 N GLN A 35 -24.072 9.495 -10.041 1.00 0.00 N ATOM 541 CA GLN A 35 -23.619 10.113 -11.276 1.00 0.00 C ATOM 542 C GLN A 35 -22.400 11.013 -11.030 1.00 0.00 C ATOM 543 O GLN A 35 -21.961 11.730 -11.928 1.00 0.00 O ATOM 544 CB GLN A 35 -24.759 10.929 -11.895 1.00 0.00 C ATOM 545 CG GLN A 35 -25.321 11.988 -10.959 1.00 0.00 C ATOM 546 CD GLN A 35 -26.533 12.688 -11.536 1.00 0.00 C ATOM 547 OE1 GLN A 35 -26.666 12.833 -12.749 1.00 0.00 O ATOM 548 NE2 GLN A 35 -27.430 13.124 -10.669 1.00 0.00 N ATOM 0 H GLN A 35 -23.895 10.057 -9.209 1.00 0.00 H new ATOM 0 HA GLN A 35 -23.321 9.323 -11.966 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -24.399 11.412 -12.803 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -25.561 10.253 -12.190 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -25.591 11.524 -10.011 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -24.548 12.725 -10.744 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -27.283 12.984 -9.669 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -28.269 13.600 -10.999 1.00 0.00 H new ATOM 557 N GLY A 36 -21.852 10.984 -9.815 1.00 0.00 N ATOM 558 CA GLY A 36 -20.670 11.775 -9.535 1.00 0.00 C ATOM 559 C GLY A 36 -20.806 12.636 -8.295 1.00 0.00 C ATOM 560 O GLY A 36 -21.845 13.246 -8.072 1.00 0.00 O ATOM 0 H GLY A 36 -22.202 10.433 -9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -19.815 11.109 -9.415 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -20.458 12.415 -10.392 1.00 0.00 H new ATOM 564 N LEU A 37 -19.817 12.564 -7.420 1.00 0.00 N ATOM 565 CA LEU A 37 -19.667 13.521 -6.328 1.00 0.00 C ATOM 566 C LEU A 37 -18.216 13.545 -5.838 1.00 0.00 C ATOM 567 O LEU A 37 -17.377 12.791 -6.332 1.00 0.00 O ATOM 568 CB LEU A 37 -20.671 13.316 -5.200 1.00 0.00 C ATOM 569 CG LEU A 37 -21.805 14.345 -5.136 1.00 0.00 C ATOM 570 CD1 LEU A 37 -22.661 14.109 -3.903 1.00 0.00 C ATOM 571 CD2 LEU A 37 -21.253 15.764 -5.133 1.00 0.00 C ATOM 0 H LEU A 37 -19.095 11.844 -7.443 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.904 14.508 -6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.109 12.323 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -20.135 13.332 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.425 14.224 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -23.463 14.847 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -23.091 13.108 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -22.045 14.203 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -22.078 16.475 -5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -20.607 15.901 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -20.679 15.933 -6.044 1.00 0.00 H new ATOM 583 N PHE A 38 -17.932 14.395 -4.862 1.00 0.00 N ATOM 584 CA PHE A 38 -16.557 14.755 -4.528 1.00 0.00 C ATOM 585 C PHE A 38 -16.062 13.998 -3.296 1.00 0.00 C ATOM 586 O PHE A 38 -16.846 13.592 -2.440 1.00 0.00 O ATOM 587 CB PHE A 38 -16.453 16.267 -4.281 1.00 0.00 C ATOM 588 CG PHE A 38 -17.150 16.732 -3.028 1.00 0.00 C ATOM 589 CD1 PHE A 38 -18.528 16.898 -3.003 1.00 0.00 C ATOM 590 CD2 PHE A 38 -16.425 16.997 -1.875 1.00 0.00 C ATOM 591 CE1 PHE A 38 -19.165 17.322 -1.851 1.00 0.00 C ATOM 592 CE2 PHE A 38 -17.059 17.420 -0.724 1.00 0.00 C ATOM 593 CZ PHE A 38 -18.429 17.582 -0.710 1.00 0.00 C ATOM 0 H PHE A 38 -18.637 14.851 -4.284 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.927 14.477 -5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -15.400 16.544 -4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.875 16.795 -5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -19.108 16.694 -3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.352 16.871 -1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -20.237 17.450 -1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -16.482 17.624 0.166 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.926 17.911 0.191 1.00 0.00 H new ATOM 603 N SER A 39 -14.755 13.819 -3.205 1.00 0.00 N ATOM 604 CA SER A 39 -14.158 13.163 -2.059 1.00 0.00 C ATOM 605 C SER A 39 -13.002 13.994 -1.505 1.00 0.00 C ATOM 606 O SER A 39 -12.206 14.562 -2.260 1.00 0.00 O ATOM 607 CB SER A 39 -13.679 11.759 -2.439 1.00 0.00 C ATOM 608 OG SER A 39 -13.190 11.060 -1.307 1.00 0.00 O ATOM 0 H SER A 39 -14.087 14.121 -3.914 1.00 0.00 H new ATOM 0 HA SER A 39 -14.915 13.071 -1.280 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.501 11.201 -2.887 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.894 11.831 -3.192 1.00 0.00 H new ATOM 0 HG SER A 39 -13.522 11.488 -0.490 1.00 0.00 H new ATOM 614 N PHE A 40 -12.933 14.063 -0.185 1.00 0.00 N ATOM 615 CA PHE A 40 -11.882 14.786 0.515 1.00 0.00 C ATOM 616 C PHE A 40 -10.982 13.809 1.259 1.00 0.00 C ATOM 617 O PHE A 40 -11.460 12.983 2.036 1.00 0.00 O ATOM 618 CB PHE A 40 -12.508 15.789 1.493 1.00 0.00 C ATOM 619 CG PHE A 40 -11.560 16.315 2.537 1.00 0.00 C ATOM 620 CD1 PHE A 40 -10.419 17.008 2.175 1.00 0.00 C ATOM 621 CD2 PHE A 40 -11.821 16.118 3.884 1.00 0.00 C ATOM 622 CE1 PHE A 40 -9.556 17.496 3.137 1.00 0.00 C ATOM 623 CE2 PHE A 40 -10.961 16.602 4.850 1.00 0.00 C ATOM 624 CZ PHE A 40 -9.826 17.291 4.476 1.00 0.00 C ATOM 0 H PHE A 40 -13.609 13.616 0.435 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.276 15.331 -0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -12.907 16.630 0.926 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -13.351 15.312 1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.201 17.169 1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -12.708 15.579 4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.670 18.038 2.842 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.177 16.441 5.896 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.150 17.669 5.228 1.00 0.00 H new ATOM 634 N SER A 41 -9.686 13.888 1.005 1.00 0.00 N ATOM 635 CA SER A 41 -8.733 13.005 1.652 1.00 0.00 C ATOM 636 C SER A 41 -7.572 13.811 2.233 1.00 0.00 C ATOM 637 O SER A 41 -7.161 14.817 1.656 1.00 0.00 O ATOM 638 CB SER A 41 -8.221 11.964 0.650 1.00 0.00 C ATOM 639 OG SER A 41 -7.453 10.961 1.290 1.00 0.00 O ATOM 0 H SER A 41 -9.271 14.555 0.355 1.00 0.00 H new ATOM 0 HA SER A 41 -9.231 12.485 2.471 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.066 11.505 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.616 12.457 -0.111 1.00 0.00 H new ATOM 0 HG SER A 41 -7.412 10.166 0.719 1.00 0.00 H new ATOM 645 N ALA A 42 -7.055 13.385 3.375 1.00 0.00 N ATOM 646 CA ALA A 42 -5.928 14.062 3.992 1.00 0.00 C ATOM 647 C ALA A 42 -4.727 13.129 4.082 1.00 0.00 C ATOM 648 O ALA A 42 -4.860 11.952 4.435 1.00 0.00 O ATOM 649 CB ALA A 42 -6.310 14.585 5.369 1.00 0.00 C ATOM 0 H ALA A 42 -7.398 12.575 3.892 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.652 14.912 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.454 15.089 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.137 15.289 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.613 13.752 6.003 1.00 0.00 H new ATOM 655 N LEU A 43 -3.554 13.659 3.759 1.00 0.00 N ATOM 656 CA LEU A 43 -2.329 12.880 3.803 1.00 0.00 C ATOM 657 C LEU A 43 -1.627 13.133 5.124 1.00 0.00 C ATOM 658 O LEU A 43 -1.076 14.216 5.344 1.00 0.00 O ATOM 659 CB LEU A 43 -1.383 13.261 2.662 1.00 0.00 C ATOM 660 CG LEU A 43 -2.028 13.565 1.307 1.00 0.00 C ATOM 661 CD1 LEU A 43 -0.946 13.798 0.271 1.00 0.00 C ATOM 662 CD2 LEU A 43 -2.952 12.443 0.863 1.00 0.00 C ATOM 0 H LEU A 43 -3.428 14.627 3.464 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.592 11.827 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.812 14.137 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.670 12.448 2.525 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.634 14.465 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.406 14.014 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.327 14.642 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.326 12.906 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.391 12.694 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.383 11.517 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.745 12.312 1.599 1.00 0.00 H new ATOM 674 N GLY A 44 -1.639 12.136 5.989 1.00 0.00 N ATOM 675 CA GLY A 44 -1.077 12.287 7.317 1.00 0.00 C ATOM 676 C GLY A 44 0.425 12.468 7.307 1.00 0.00 C ATOM 677 O GLY A 44 0.960 13.250 8.090 1.00 0.00 O ATOM 0 H GLY A 44 -2.031 11.214 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.538 13.146 7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.328 11.410 7.913 1.00 0.00 H new ATOM 681 N ALA A 45 1.102 11.754 6.414 1.00 0.00 N ATOM 682 CA ALA A 45 2.556 11.840 6.299 1.00 0.00 C ATOM 683 C ALA A 45 2.992 13.246 5.894 1.00 0.00 C ATOM 684 O ALA A 45 4.096 13.689 6.215 1.00 0.00 O ATOM 685 CB ALA A 45 3.060 10.815 5.294 1.00 0.00 C ATOM 0 H ALA A 45 0.667 11.107 5.757 1.00 0.00 H new ATOM 0 HA ALA A 45 2.992 11.623 7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.145 10.886 5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.785 9.814 5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.611 11.010 4.320 1.00 0.00 H new ATOM 691 N GLN A 46 2.110 13.943 5.193 1.00 0.00 N ATOM 692 CA GLN A 46 2.375 15.306 4.764 1.00 0.00 C ATOM 693 C GLN A 46 1.826 16.303 5.773 1.00 0.00 C ATOM 694 O GLN A 46 2.439 17.336 6.042 1.00 0.00 O ATOM 695 CB GLN A 46 1.729 15.566 3.399 1.00 0.00 C ATOM 696 CG GLN A 46 2.381 14.821 2.247 1.00 0.00 C ATOM 697 CD GLN A 46 3.756 15.358 1.919 1.00 0.00 C ATOM 698 OE1 GLN A 46 4.764 14.884 2.441 1.00 0.00 O ATOM 699 NE2 GLN A 46 3.803 16.361 1.059 1.00 0.00 N ATOM 0 H GLN A 46 1.199 13.583 4.908 1.00 0.00 H new ATOM 0 HA GLN A 46 3.455 15.432 4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.677 15.285 3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.764 16.635 3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.457 13.763 2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.745 14.894 1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.942 16.723 0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.701 16.773 0.804 1.00 0.00 H new ATOM 708 N GLY A 47 0.673 15.977 6.335 1.00 0.00 N ATOM 709 CA GLY A 47 -0.049 16.923 7.158 1.00 0.00 C ATOM 710 C GLY A 47 -0.881 17.843 6.291 1.00 0.00 C ATOM 711 O GLY A 47 -1.345 18.893 6.735 1.00 0.00 O ATOM 0 H GLY A 47 0.222 15.068 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.693 16.390 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.652 17.508 7.753 1.00 0.00 H new ATOM 715 N GLU A 48 -1.064 17.428 5.045 1.00 0.00 N ATOM 716 CA GLU A 48 -1.726 18.244 4.039 1.00 0.00 C ATOM 717 C GLU A 48 -2.981 17.537 3.537 1.00 0.00 C ATOM 718 O GLU A 48 -3.114 16.326 3.697 1.00 0.00 O ATOM 719 CB GLU A 48 -0.752 18.529 2.885 1.00 0.00 C ATOM 720 CG GLU A 48 -1.287 19.503 1.849 1.00 0.00 C ATOM 721 CD GLU A 48 -1.671 20.838 2.452 1.00 0.00 C ATOM 722 OE1 GLU A 48 -2.785 20.944 3.007 1.00 0.00 O ATOM 723 OE2 GLU A 48 -0.867 21.786 2.367 1.00 0.00 O ATOM 0 H GLU A 48 -0.758 16.517 4.704 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.028 19.195 4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.176 18.926 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.505 17.589 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.532 19.660 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.157 19.066 1.359 1.00 0.00 H new ATOM 730 N ARG A 49 -3.894 18.282 2.931 1.00 0.00 N ATOM 731 CA ARG A 49 -5.144 17.701 2.457 1.00 0.00 C ATOM 732 C ARG A 49 -5.275 17.823 0.937 1.00 0.00 C ATOM 733 O ARG A 49 -4.854 18.816 0.336 1.00 0.00 O ATOM 734 CB ARG A 49 -6.356 18.340 3.151 1.00 0.00 C ATOM 735 CG ARG A 49 -6.558 19.824 2.870 1.00 0.00 C ATOM 736 CD ARG A 49 -5.708 20.704 3.773 1.00 0.00 C ATOM 737 NE ARG A 49 -6.014 20.506 5.188 1.00 0.00 N ATOM 738 CZ ARG A 49 -5.094 20.468 6.149 1.00 0.00 C ATOM 739 NH1 ARG A 49 -3.810 20.634 5.849 1.00 0.00 N ATOM 740 NH2 ARG A 49 -5.458 20.266 7.409 1.00 0.00 N ATOM 0 H ARG A 49 -3.796 19.282 2.756 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.124 16.642 2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.254 17.803 2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.253 18.201 4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.312 20.031 1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.610 20.077 3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.654 20.489 3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.868 21.750 3.512 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.991 20.390 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.529 20.791 4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.106 20.605 6.587 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.443 20.140 7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.753 20.237 8.145 1.00 0.00 H new ATOM 754 N PHE A 50 -5.854 16.795 0.328 1.00 0.00 N ATOM 755 CA PHE A 50 -6.066 16.747 -1.116 1.00 0.00 C ATOM 756 C PHE A 50 -7.559 16.648 -1.415 1.00 0.00 C ATOM 757 O PHE A 50 -8.360 16.388 -0.516 1.00 0.00 O ATOM 758 CB PHE A 50 -5.336 15.543 -1.728 1.00 0.00 C ATOM 759 CG PHE A 50 -3.859 15.746 -1.957 1.00 0.00 C ATOM 760 CD1 PHE A 50 -3.098 16.542 -1.115 1.00 0.00 C ATOM 761 CD2 PHE A 50 -3.230 15.127 -3.028 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.745 16.721 -1.336 1.00 0.00 C ATOM 763 CE2 PHE A 50 -1.879 15.301 -3.255 1.00 0.00 C ATOM 764 CZ PHE A 50 -1.134 16.099 -2.408 1.00 0.00 C ATOM 0 H PHE A 50 -6.191 15.969 0.822 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.666 17.660 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.473 14.682 -1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.806 15.297 -2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.569 17.029 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.805 14.500 -3.693 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.167 17.346 -0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.405 14.814 -4.094 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.077 16.236 -2.583 1.00 0.00 H new ATOM 774 N GLU A 51 -7.936 16.837 -2.672 1.00 0.00 N ATOM 775 CA GLU A 51 -9.338 16.768 -3.060 1.00 0.00 C ATOM 776 C GLU A 51 -9.470 16.254 -4.490 1.00 0.00 C ATOM 777 O GLU A 51 -8.576 16.453 -5.312 1.00 0.00 O ATOM 778 CB GLU A 51 -10.007 18.142 -2.941 1.00 0.00 C ATOM 779 CG GLU A 51 -9.451 19.182 -3.903 1.00 0.00 C ATOM 780 CD GLU A 51 -10.233 20.479 -3.877 1.00 0.00 C ATOM 781 OE1 GLU A 51 -11.417 20.473 -4.272 1.00 0.00 O ATOM 782 OE2 GLU A 51 -9.665 21.520 -3.483 1.00 0.00 O ATOM 0 H GLU A 51 -7.293 17.039 -3.438 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.839 16.076 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.077 18.031 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.890 18.506 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.410 19.385 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.460 18.777 -4.915 1.00 0.00 H new ATOM 789 N PHE A 52 -10.574 15.576 -4.769 1.00 0.00 N ATOM 790 CA PHE A 52 -10.859 15.087 -6.110 1.00 0.00 C ATOM 791 C PHE A 52 -12.347 14.802 -6.256 1.00 0.00 C ATOM 792 O PHE A 52 -13.016 14.430 -5.290 1.00 0.00 O ATOM 793 CB PHE A 52 -10.029 13.832 -6.432 1.00 0.00 C ATOM 794 CG PHE A 52 -10.181 12.704 -5.446 1.00 0.00 C ATOM 795 CD1 PHE A 52 -9.430 12.676 -4.280 1.00 0.00 C ATOM 796 CD2 PHE A 52 -11.062 11.663 -5.696 1.00 0.00 C ATOM 797 CE1 PHE A 52 -9.560 11.634 -3.381 1.00 0.00 C ATOM 798 CE2 PHE A 52 -11.195 10.621 -4.801 1.00 0.00 C ATOM 799 CZ PHE A 52 -10.443 10.605 -3.642 1.00 0.00 C ATOM 0 H PHE A 52 -11.291 15.351 -4.079 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.578 15.861 -6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.311 13.471 -7.421 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.977 14.112 -6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.736 13.477 -4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.651 11.668 -6.601 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.972 11.625 -2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.887 9.818 -5.007 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.546 9.789 -2.942 1.00 0.00 H new ATOM 809 N SER A 53 -12.868 15.002 -7.457 1.00 0.00 N ATOM 810 CA SER A 53 -14.277 14.764 -7.726 1.00 0.00 C ATOM 811 C SER A 53 -14.423 13.542 -8.625 1.00 0.00 C ATOM 812 O SER A 53 -13.787 13.455 -9.675 1.00 0.00 O ATOM 813 CB SER A 53 -14.910 15.997 -8.389 1.00 0.00 C ATOM 814 OG SER A 53 -16.327 15.989 -8.268 1.00 0.00 O ATOM 0 H SER A 53 -12.334 15.329 -8.262 1.00 0.00 H new ATOM 0 HA SER A 53 -14.796 14.579 -6.785 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.511 16.902 -7.931 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.635 16.025 -9.443 1.00 0.00 H new ATOM 0 HG SER A 53 -16.722 15.592 -9.072 1.00 0.00 H new ATOM 820 N LEU A 54 -15.248 12.597 -8.211 1.00 0.00 N ATOM 821 CA LEU A 54 -15.446 11.382 -8.977 1.00 0.00 C ATOM 822 C LEU A 54 -16.738 11.474 -9.766 1.00 0.00 C ATOM 823 O LEU A 54 -17.819 11.253 -9.228 1.00 0.00 O ATOM 824 CB LEU A 54 -15.472 10.156 -8.061 1.00 0.00 C ATOM 825 CG LEU A 54 -14.165 9.868 -7.322 1.00 0.00 C ATOM 826 CD1 LEU A 54 -14.336 8.679 -6.390 1.00 0.00 C ATOM 827 CD2 LEU A 54 -13.040 9.615 -8.312 1.00 0.00 C ATOM 0 H LEU A 54 -15.791 12.648 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.611 11.271 -9.669 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -16.265 10.289 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.734 9.282 -8.658 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.904 10.741 -6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.397 8.486 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.116 8.898 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.618 7.800 -6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.117 9.412 -7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.291 8.757 -8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.905 10.494 -8.942 1.00 0.00 H new ATOM 839 N GLU A 55 -16.617 11.837 -11.032 1.00 0.00 N ATOM 840 CA GLU A 55 -17.770 11.988 -11.906 1.00 0.00 C ATOM 841 C GLU A 55 -18.063 10.671 -12.616 1.00 0.00 C ATOM 842 O GLU A 55 -17.224 10.161 -13.362 1.00 0.00 O ATOM 843 CB GLU A 55 -17.502 13.087 -12.931 1.00 0.00 C ATOM 844 CG GLU A 55 -17.045 14.402 -12.314 1.00 0.00 C ATOM 845 CD GLU A 55 -18.112 15.060 -11.462 1.00 0.00 C ATOM 846 OE1 GLU A 55 -19.043 15.667 -12.035 1.00 0.00 O ATOM 847 OE2 GLU A 55 -18.016 14.987 -10.222 1.00 0.00 O ATOM 0 H GLU A 55 -15.723 12.034 -11.481 1.00 0.00 H new ATOM 0 HA GLU A 55 -18.637 12.265 -11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.742 12.741 -13.631 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.410 13.263 -13.508 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.160 14.222 -11.703 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.750 15.087 -13.109 1.00 0.00 H new ATOM 854 N LEU A 56 -19.250 10.125 -12.394 1.00 0.00 N ATOM 855 CA LEU A 56 -19.583 8.808 -12.921 1.00 0.00 C ATOM 856 C LEU A 56 -20.441 8.896 -14.177 1.00 0.00 C ATOM 857 O LEU A 56 -21.382 9.684 -14.258 1.00 0.00 O ATOM 858 CB LEU A 56 -20.282 7.939 -11.868 1.00 0.00 C ATOM 859 CG LEU A 56 -19.388 7.406 -10.737 1.00 0.00 C ATOM 860 CD1 LEU A 56 -18.083 6.856 -11.291 1.00 0.00 C ATOM 861 CD2 LEU A 56 -19.129 8.480 -9.692 1.00 0.00 C ATOM 0 H LEU A 56 -19.994 10.569 -11.856 1.00 0.00 H new ATOM 0 HA LEU A 56 -18.638 8.336 -13.189 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.090 8.520 -11.423 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -20.741 7.089 -12.373 1.00 0.00 H new ATOM 0 HG LEU A 56 -19.917 6.588 -10.248 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -17.468 6.485 -10.472 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.296 6.041 -11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.549 7.647 -11.817 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.494 8.075 -8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -18.631 9.329 -10.159 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -20.076 8.806 -9.263 1.00 0.00 H new ATOM 873 N TYR A 57 -20.085 8.073 -15.151 1.00 0.00 N ATOM 874 CA TYR A 57 -20.760 8.037 -16.444 1.00 0.00 C ATOM 875 C TYR A 57 -22.076 7.259 -16.361 1.00 0.00 C ATOM 876 O TYR A 57 -22.915 7.342 -17.256 1.00 0.00 O ATOM 877 CB TYR A 57 -19.820 7.383 -17.461 1.00 0.00 C ATOM 878 CG TYR A 57 -20.049 7.782 -18.905 1.00 0.00 C ATOM 879 CD1 TYR A 57 -19.401 8.886 -19.443 1.00 0.00 C ATOM 880 CD2 TYR A 57 -20.884 7.045 -19.733 1.00 0.00 C ATOM 881 CE1 TYR A 57 -19.578 9.248 -20.763 1.00 0.00 C ATOM 882 CE2 TYR A 57 -21.069 7.403 -21.056 1.00 0.00 C ATOM 883 CZ TYR A 57 -20.412 8.507 -21.566 1.00 0.00 C ATOM 884 OH TYR A 57 -20.586 8.866 -22.885 1.00 0.00 O ATOM 0 H TYR A 57 -19.317 7.407 -15.069 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.002 9.054 -16.753 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -18.793 7.629 -17.192 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -19.920 6.301 -17.380 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -18.746 9.473 -18.816 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.396 6.180 -19.339 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -19.064 10.109 -21.163 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.724 6.822 -21.688 1.00 0.00 H new ATOM 0 HH TYR A 57 -19.712 9.022 -23.300 1.00 0.00 H new ATOM 894 N GLY A 58 -22.252 6.507 -15.279 1.00 0.00 N ATOM 895 CA GLY A 58 -23.420 5.659 -15.153 1.00 0.00 C ATOM 896 C GLY A 58 -23.885 5.515 -13.719 1.00 0.00 C ATOM 897 O GLY A 58 -23.121 5.783 -12.793 1.00 0.00 O ATOM 0 H GLY A 58 -21.607 6.471 -14.489 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -24.230 6.072 -15.754 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -23.193 4.673 -15.558 1.00 0.00 H new ATOM 901 N LYS A 59 -25.115 5.031 -13.541 1.00 0.00 N ATOM 902 CA LYS A 59 -25.764 4.975 -12.228 1.00 0.00 C ATOM 903 C LYS A 59 -24.972 4.142 -11.226 1.00 0.00 C ATOM 904 O LYS A 59 -24.678 2.961 -11.451 1.00 0.00 O ATOM 905 CB LYS A 59 -27.186 4.418 -12.351 1.00 0.00 C ATOM 906 CG LYS A 59 -28.091 5.229 -13.270 1.00 0.00 C ATOM 907 CD LYS A 59 -28.330 6.642 -12.748 1.00 0.00 C ATOM 908 CE LYS A 59 -29.641 6.765 -11.976 1.00 0.00 C ATOM 909 NZ LYS A 59 -29.624 6.034 -10.680 1.00 0.00 N ATOM 0 H LYS A 59 -25.690 4.667 -14.301 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.804 5.998 -11.854 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -27.134 3.394 -12.721 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.636 4.376 -11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -27.644 5.282 -14.263 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -29.047 4.717 -13.378 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -27.502 6.932 -12.101 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -28.339 7.339 -13.586 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -29.849 7.819 -11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -30.456 6.383 -12.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -30.150 6.579 -9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -30.069 5.102 -10.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -28.641 5.910 -10.364 1.00 0.00 H new ATOM 923 N ILE A 60 -24.615 4.778 -10.128 1.00 0.00 N ATOM 924 CA ILE A 60 -23.931 4.111 -9.034 1.00 0.00 C ATOM 925 C ILE A 60 -24.924 3.819 -7.919 1.00 0.00 C ATOM 926 O ILE A 60 -25.944 4.494 -7.803 1.00 0.00 O ATOM 927 CB ILE A 60 -22.799 4.989 -8.456 1.00 0.00 C ATOM 928 CG1 ILE A 60 -21.922 5.554 -9.573 1.00 0.00 C ATOM 929 CG2 ILE A 60 -21.949 4.206 -7.467 1.00 0.00 C ATOM 930 CD1 ILE A 60 -21.236 4.491 -10.407 1.00 0.00 C ATOM 0 H ILE A 60 -24.790 5.770 -9.967 1.00 0.00 H new ATOM 0 HA ILE A 60 -23.500 3.189 -9.424 1.00 0.00 H new ATOM 0 HB ILE A 60 -23.265 5.820 -7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -22.536 6.175 -10.226 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -21.165 6.204 -9.135 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -21.160 4.849 -7.076 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.575 3.859 -6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -21.502 3.349 -7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -20.632 4.968 -11.179 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.595 3.884 -9.767 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.987 3.855 -10.875 1.00 0.00 H new ATOM 942 N MET A 61 -24.628 2.824 -7.103 1.00 0.00 N ATOM 943 CA MET A 61 -25.459 2.528 -5.954 1.00 0.00 C ATOM 944 C MET A 61 -24.824 3.157 -4.723 1.00 0.00 C ATOM 945 O MET A 61 -23.909 2.596 -4.124 1.00 0.00 O ATOM 946 CB MET A 61 -25.634 1.018 -5.770 1.00 0.00 C ATOM 947 CG MET A 61 -26.639 0.649 -4.690 1.00 0.00 C ATOM 948 SD MET A 61 -26.919 -1.129 -4.566 1.00 0.00 S ATOM 949 CE MET A 61 -28.163 -1.178 -3.279 1.00 0.00 C ATOM 0 H MET A 61 -23.821 2.210 -7.215 1.00 0.00 H new ATOM 0 HA MET A 61 -26.454 2.946 -6.108 1.00 0.00 H new ATOM 0 HB2 MET A 61 -25.952 0.580 -6.716 1.00 0.00 H new ATOM 0 HB3 MET A 61 -24.669 0.576 -5.523 1.00 0.00 H new ATOM 0 HG2 MET A 61 -26.286 1.024 -3.729 1.00 0.00 H new ATOM 0 HG3 MET A 61 -27.586 1.147 -4.897 1.00 0.00 H new ATOM 0 HE1 MET A 61 -27.797 -1.773 -2.442 1.00 0.00 H new ATOM 0 HE2 MET A 61 -28.375 -0.164 -2.939 1.00 0.00 H new ATOM 0 HE3 MET A 61 -29.075 -1.627 -3.672 1.00 0.00 H new ATOM 959 N THR A 62 -25.304 4.342 -4.368 1.00 0.00 N ATOM 960 CA THR A 62 -24.714 5.126 -3.287 1.00 0.00 C ATOM 961 C THR A 62 -24.937 4.470 -1.918 1.00 0.00 C ATOM 962 O THR A 62 -24.408 4.931 -0.904 1.00 0.00 O ATOM 963 CB THR A 62 -25.266 6.574 -3.293 1.00 0.00 C ATOM 964 OG1 THR A 62 -24.763 7.315 -2.174 1.00 0.00 O ATOM 965 CG2 THR A 62 -26.789 6.588 -3.274 1.00 0.00 C ATOM 0 H THR A 62 -26.106 4.785 -4.816 1.00 0.00 H new ATOM 0 HA THR A 62 -23.639 5.162 -3.463 1.00 0.00 H new ATOM 0 HB THR A 62 -24.927 7.046 -4.215 1.00 0.00 H new ATOM 0 HG1 THR A 62 -24.456 6.693 -1.481 1.00 0.00 H new ATOM 0 HG21 THR A 62 -27.143 7.619 -3.279 1.00 0.00 H new ATOM 0 HG22 THR A 62 -27.169 6.070 -4.155 1.00 0.00 H new ATOM 0 HG23 THR A 62 -27.146 6.086 -2.375 1.00 0.00 H new ATOM 973 N GLU A 63 -25.711 3.394 -1.895 1.00 0.00 N ATOM 974 CA GLU A 63 -25.944 2.651 -0.667 1.00 0.00 C ATOM 975 C GLU A 63 -24.678 1.919 -0.234 1.00 0.00 C ATOM 976 O GLU A 63 -24.102 2.218 0.814 1.00 0.00 O ATOM 977 CB GLU A 63 -27.076 1.647 -0.853 1.00 0.00 C ATOM 978 CG GLU A 63 -27.452 0.918 0.423 1.00 0.00 C ATOM 979 CD GLU A 63 -28.484 -0.160 0.187 1.00 0.00 C ATOM 980 OE1 GLU A 63 -29.671 0.181 -0.001 1.00 0.00 O ATOM 981 OE2 GLU A 63 -28.115 -1.350 0.185 1.00 0.00 O ATOM 0 H GLU A 63 -26.188 3.017 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 63 -26.225 3.364 0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -27.953 2.167 -1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -26.783 0.916 -1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -26.559 0.473 0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -27.838 1.635 1.148 1.00 0.00 H new ATOM 988 N TYR A 64 -24.235 0.971 -1.054 1.00 0.00 N ATOM 989 CA TYR A 64 -23.096 0.143 -0.703 1.00 0.00 C ATOM 990 C TYR A 64 -21.811 0.712 -1.288 1.00 0.00 C ATOM 991 O TYR A 64 -21.586 0.668 -2.497 1.00 0.00 O ATOM 992 CB TYR A 64 -23.307 -1.289 -1.196 1.00 0.00 C ATOM 993 CG TYR A 64 -22.309 -2.287 -0.639 1.00 0.00 C ATOM 994 CD1 TYR A 64 -21.087 -2.512 -1.263 1.00 0.00 C ATOM 995 CD2 TYR A 64 -22.594 -3.007 0.515 1.00 0.00 C ATOM 996 CE1 TYR A 64 -20.179 -3.424 -0.752 1.00 0.00 C ATOM 997 CE2 TYR A 64 -21.692 -3.920 1.032 1.00 0.00 C ATOM 998 CZ TYR A 64 -20.486 -4.124 0.396 1.00 0.00 C ATOM 999 OH TYR A 64 -19.588 -5.033 0.909 1.00 0.00 O ATOM 0 H TYR A 64 -24.649 0.761 -1.962 1.00 0.00 H new ATOM 0 HA TYR A 64 -23.006 0.134 0.383 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -24.314 -1.610 -0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -23.248 -1.300 -2.284 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -20.842 -1.966 -2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -23.537 -2.851 1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -19.235 -3.586 -1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -21.932 -4.470 1.930 1.00 0.00 H new ATOM 0 HH TYR A 64 -19.960 -5.437 1.721 1.00 0.00 H new ATOM 1009 N ARG A 65 -20.991 1.264 -0.412 1.00 0.00 N ATOM 1010 CA ARG A 65 -19.675 1.752 -0.776 1.00 0.00 C ATOM 1011 C ARG A 65 -18.820 1.887 0.476 1.00 0.00 C ATOM 1012 O ARG A 65 -19.234 2.514 1.452 1.00 0.00 O ATOM 1013 CB ARG A 65 -19.744 3.076 -1.564 1.00 0.00 C ATOM 1014 CG ARG A 65 -20.980 3.945 -1.318 1.00 0.00 C ATOM 1015 CD ARG A 65 -20.964 4.617 0.047 1.00 0.00 C ATOM 1016 NE ARG A 65 -21.878 3.974 0.991 1.00 0.00 N ATOM 1017 CZ ARG A 65 -21.905 4.238 2.295 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -21.098 5.160 2.806 1.00 0.00 N ATOM 1019 NH2 ARG A 65 -22.760 3.597 3.082 1.00 0.00 N ATOM 0 H ARG A 65 -21.220 1.386 0.574 1.00 0.00 H new ATOM 0 HA ARG A 65 -19.211 1.027 -1.444 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -18.858 3.664 -1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -19.694 2.845 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -21.042 4.709 -2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -21.875 3.329 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -19.952 4.592 0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -21.238 5.666 -0.063 1.00 0.00 H new ATOM 0 HE ARG A 65 -22.534 3.282 0.628 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -20.455 5.668 2.199 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -21.121 5.360 3.806 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -23.395 2.903 2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -22.782 3.798 4.082 1.00 0.00 H new ATOM 1033 N LYS A 66 -17.647 1.278 0.466 1.00 0.00 N ATOM 1034 CA LYS A 66 -16.819 1.233 1.665 1.00 0.00 C ATOM 1035 C LYS A 66 -15.337 1.346 1.320 1.00 0.00 C ATOM 1036 O LYS A 66 -14.940 1.114 0.181 1.00 0.00 O ATOM 1037 CB LYS A 66 -17.072 -0.065 2.430 1.00 0.00 C ATOM 1038 CG LYS A 66 -16.562 -0.029 3.860 1.00 0.00 C ATOM 1039 CD LYS A 66 -16.665 -1.380 4.527 1.00 0.00 C ATOM 1040 CE LYS A 66 -16.345 -1.292 6.011 1.00 0.00 C ATOM 1041 NZ LYS A 66 -17.196 -0.282 6.691 1.00 0.00 N ATOM 0 H LYS A 66 -17.247 0.812 -0.348 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.090 2.083 2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.142 -0.271 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.593 -0.889 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.523 0.301 3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.133 0.703 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.671 -1.778 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.980 -2.078 4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.494 -2.267 6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.295 -1.033 6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.182 -0.450 7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.831 0.671 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.172 -0.359 6.341 1.00 0.00 H new ATOM 1055 N ASN A 67 -14.531 1.673 2.320 1.00 0.00 N ATOM 1056 CA ASN A 67 -13.103 1.880 2.130 1.00 0.00 C ATOM 1057 C ASN A 67 -12.315 0.822 2.884 1.00 0.00 C ATOM 1058 O ASN A 67 -12.379 0.751 4.113 1.00 0.00 O ATOM 1059 CB ASN A 67 -12.683 3.271 2.623 1.00 0.00 C ATOM 1060 CG ASN A 67 -13.293 4.401 1.817 1.00 0.00 C ATOM 1061 OD1 ASN A 67 -12.740 4.826 0.807 1.00 0.00 O ATOM 1062 ND2 ASN A 67 -14.430 4.913 2.271 1.00 0.00 N ATOM 0 H ASN A 67 -14.847 1.802 3.281 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.891 1.803 1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.973 3.381 3.668 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.597 3.351 2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.874 5.687 1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.860 4.533 3.114 1.00 0.00 H new ATOM 1069 N VAL A 68 -11.593 -0.006 2.151 1.00 0.00 N ATOM 1070 CA VAL A 68 -10.739 -1.015 2.761 1.00 0.00 C ATOM 1071 C VAL A 68 -9.271 -0.688 2.508 1.00 0.00 C ATOM 1072 O VAL A 68 -8.847 -0.495 1.368 1.00 0.00 O ATOM 1073 CB VAL A 68 -11.068 -2.448 2.262 1.00 0.00 C ATOM 1074 CG1 VAL A 68 -12.422 -2.903 2.802 1.00 0.00 C ATOM 1075 CG2 VAL A 68 -11.046 -2.521 0.735 1.00 0.00 C ATOM 0 H VAL A 68 -11.579 -0.001 1.131 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.933 -0.997 3.833 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.298 -3.121 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.637 -3.909 2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.397 -2.904 3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.199 -2.221 2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.280 -3.537 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.786 -1.833 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.056 -2.246 0.372 1.00 0.00 H new ATOM 1085 N GLY A 69 -8.502 -0.586 3.578 1.00 0.00 N ATOM 1086 CA GLY A 69 -7.105 -0.247 3.437 1.00 0.00 C ATOM 1087 C GLY A 69 -6.189 -1.425 3.682 1.00 0.00 C ATOM 1088 O GLY A 69 -6.279 -2.093 4.709 1.00 0.00 O ATOM 0 H GLY A 69 -8.818 -0.731 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.929 0.142 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.857 0.552 4.136 1.00 0.00 H new ATOM 1092 N LEU A 70 -5.322 -1.689 2.722 1.00 0.00 N ATOM 1093 CA LEU A 70 -4.304 -2.717 2.866 1.00 0.00 C ATOM 1094 C LEU A 70 -2.940 -2.042 2.975 1.00 0.00 C ATOM 1095 O LEU A 70 -2.396 -1.891 4.066 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.342 -3.681 1.675 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.370 -4.860 1.749 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.702 -5.753 2.934 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -3.403 -5.653 0.453 1.00 0.00 C ATOM 0 H LEU A 70 -5.302 -1.202 1.826 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.493 -3.300 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.355 -4.073 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.132 -3.116 0.766 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.362 -4.470 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.000 -6.586 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.628 -5.176 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.716 -6.138 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.707 -6.489 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.411 -6.033 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.116 -5.007 -0.376 1.00 0.00 H new ATOM 1111 N ARG A 71 -2.411 -1.618 1.834 1.00 0.00 N ATOM 1112 CA ARG A 71 -1.227 -0.767 1.801 1.00 0.00 C ATOM 1113 C ARG A 71 -1.621 0.592 1.240 1.00 0.00 C ATOM 1114 O ARG A 71 -0.791 1.482 1.052 1.00 0.00 O ATOM 1115 CB ARG A 71 -0.120 -1.396 0.949 1.00 0.00 C ATOM 1116 CG ARG A 71 0.517 -2.620 1.585 1.00 0.00 C ATOM 1117 CD ARG A 71 1.693 -3.128 0.767 1.00 0.00 C ATOM 1118 NE ARG A 71 1.274 -3.706 -0.514 1.00 0.00 N ATOM 1119 CZ ARG A 71 1.856 -3.433 -1.681 1.00 0.00 C ATOM 1120 NH1 ARG A 71 2.831 -2.535 -1.746 1.00 0.00 N ATOM 1121 NH2 ARG A 71 1.454 -4.063 -2.781 1.00 0.00 N ATOM 0 H ARG A 71 -2.785 -1.851 0.914 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.837 -0.654 2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.533 -1.674 -0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.653 -0.650 0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.853 -2.374 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.228 -3.410 1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.386 -2.307 0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.235 -3.879 1.342 1.00 0.00 H new ATOM 0 HE ARG A 71 0.489 -4.357 -0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.137 -2.052 -0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.275 -2.328 -2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.703 -4.752 -2.729 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.896 -3.858 -3.677 1.00 0.00 H new ATOM 1135 N ASN A 72 -2.916 0.721 0.996 1.00 0.00 N ATOM 1136 CA ASN A 72 -3.501 1.897 0.377 1.00 0.00 C ATOM 1137 C ASN A 72 -5.009 1.797 0.520 1.00 0.00 C ATOM 1138 O ASN A 72 -5.511 0.788 1.016 1.00 0.00 O ATOM 1139 CB ASN A 72 -3.108 1.986 -1.100 1.00 0.00 C ATOM 1140 CG ASN A 72 -3.687 0.853 -1.934 1.00 0.00 C ATOM 1141 OD1 ASN A 72 -4.818 1.102 -2.572 1.00 0.00 O flip ATOM 1142 ND2 ASN A 72 -3.107 -0.231 -2.016 1.00 0.00 N flip ATOM 0 H ASN A 72 -3.599 -0.000 1.227 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.133 2.799 0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.448 2.939 -1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.021 1.974 -1.183 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.236 -0.383 -1.508 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.498 -0.976 -2.592 1.00 0.00 H new ATOM 1149 N ILE A 73 -5.732 2.813 0.084 1.00 0.00 N ATOM 1150 CA ILE A 73 -7.174 2.822 0.258 1.00 0.00 C ATOM 1151 C ILE A 73 -7.877 2.289 -0.981 1.00 0.00 C ATOM 1152 O ILE A 73 -7.754 2.850 -2.066 1.00 0.00 O ATOM 1153 CB ILE A 73 -7.693 4.237 0.590 1.00 0.00 C ATOM 1154 CG1 ILE A 73 -7.037 4.744 1.877 1.00 0.00 C ATOM 1155 CG2 ILE A 73 -9.213 4.244 0.725 1.00 0.00 C ATOM 1156 CD1 ILE A 73 -7.285 3.855 3.078 1.00 0.00 C ATOM 0 H ILE A 73 -5.351 3.633 -0.388 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.401 2.167 1.099 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.427 4.904 -0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.962 4.831 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.409 5.745 2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.553 5.253 0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.663 3.918 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.510 3.566 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.790 4.278 3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.357 3.787 3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.887 2.859 2.882 1.00 0.00 H new ATOM 1168 N ILE A 74 -8.586 1.181 -0.814 1.00 0.00 N ATOM 1169 CA ILE A 74 -9.406 0.641 -1.884 1.00 0.00 C ATOM 1170 C ILE A 74 -10.868 0.939 -1.590 1.00 0.00 C ATOM 1171 O ILE A 74 -11.411 0.496 -0.578 1.00 0.00 O ATOM 1172 CB ILE A 74 -9.210 -0.884 -2.042 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -7.727 -1.207 -2.230 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -10.028 -1.417 -3.221 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -7.424 -2.690 -2.298 1.00 0.00 C ATOM 0 H ILE A 74 -8.608 0.641 0.051 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.102 1.113 -2.818 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.564 -1.374 -1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.375 -0.732 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.163 -0.769 -1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.875 -2.492 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.085 -1.214 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.707 -0.924 -4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.352 -2.837 -2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.743 -3.169 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.959 -3.132 -3.139 1.00 0.00 H new ATOM 1187 N PHE A 75 -11.498 1.689 -2.473 1.00 0.00 N ATOM 1188 CA PHE A 75 -12.887 2.066 -2.295 1.00 0.00 C ATOM 1189 C PHE A 75 -13.781 1.150 -3.119 1.00 0.00 C ATOM 1190 O PHE A 75 -13.702 1.123 -4.345 1.00 0.00 O ATOM 1191 CB PHE A 75 -13.084 3.535 -2.684 1.00 0.00 C ATOM 1192 CG PHE A 75 -14.466 4.067 -2.419 1.00 0.00 C ATOM 1193 CD1 PHE A 75 -15.039 3.953 -1.165 1.00 0.00 C ATOM 1194 CD2 PHE A 75 -15.183 4.694 -3.422 1.00 0.00 C ATOM 1195 CE1 PHE A 75 -16.303 4.450 -0.915 1.00 0.00 C ATOM 1196 CE2 PHE A 75 -16.448 5.191 -3.181 1.00 0.00 C ATOM 1197 CZ PHE A 75 -17.008 5.070 -1.926 1.00 0.00 C ATOM 0 H PHE A 75 -11.068 2.051 -3.324 1.00 0.00 H new ATOM 0 HA PHE A 75 -13.163 1.955 -1.246 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -12.363 4.143 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -12.860 3.651 -3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -14.490 3.469 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -14.748 4.796 -4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.738 4.354 0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -16.999 5.674 -3.974 1.00 0.00 H new ATOM 0 HZ PHE A 75 -17.997 5.460 -1.735 1.00 0.00 H new ATOM 1207 N SER A 76 -14.604 0.377 -2.433 1.00 0.00 N ATOM 1208 CA SER A 76 -15.493 -0.557 -3.093 1.00 0.00 C ATOM 1209 C SER A 76 -16.761 0.168 -3.529 1.00 0.00 C ATOM 1210 O SER A 76 -17.530 0.648 -2.691 1.00 0.00 O ATOM 1211 CB SER A 76 -15.832 -1.717 -2.154 1.00 0.00 C ATOM 1212 OG SER A 76 -16.564 -2.729 -2.824 1.00 0.00 O ATOM 0 H SER A 76 -14.674 0.379 -1.415 1.00 0.00 H new ATOM 0 HA SER A 76 -14.998 -0.965 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.913 -2.139 -1.748 1.00 0.00 H new ATOM 0 HB3 SER A 76 -16.412 -1.345 -1.309 1.00 0.00 H new ATOM 0 HG SER A 76 -16.764 -3.457 -2.199 1.00 0.00 H new ATOM 1218 N ILE A 77 -16.954 0.272 -4.838 1.00 0.00 N ATOM 1219 CA ILE A 77 -18.099 0.975 -5.387 1.00 0.00 C ATOM 1220 C ILE A 77 -19.049 -0.010 -6.049 1.00 0.00 C ATOM 1221 O ILE A 77 -18.699 -0.641 -7.046 1.00 0.00 O ATOM 1222 CB ILE A 77 -17.658 2.015 -6.439 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -16.502 2.870 -5.909 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -18.831 2.896 -6.838 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -15.953 3.852 -6.924 1.00 0.00 C ATOM 0 H ILE A 77 -16.328 -0.124 -5.539 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.600 1.486 -4.564 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.308 1.480 -7.322 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -16.842 3.420 -5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -15.697 2.213 -5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -18.503 3.624 -7.580 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -19.623 2.278 -7.261 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -19.209 3.419 -5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.138 4.421 -6.476 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.581 3.308 -7.792 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -16.744 4.535 -7.235 1.00 0.00 H new ATOM 1237 N GLN A 78 -20.241 -0.161 -5.501 1.00 0.00 N ATOM 1238 CA GLN A 78 -21.218 -1.055 -6.096 1.00 0.00 C ATOM 1239 C GLN A 78 -22.060 -0.309 -7.126 1.00 0.00 C ATOM 1240 O GLN A 78 -22.500 0.821 -6.896 1.00 0.00 O ATOM 1241 CB GLN A 78 -22.103 -1.690 -5.024 1.00 0.00 C ATOM 1242 CG GLN A 78 -23.087 -2.707 -5.579 1.00 0.00 C ATOM 1243 CD GLN A 78 -23.726 -3.567 -4.505 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -23.123 -3.849 -3.468 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -24.952 -3.991 -4.748 1.00 0.00 N ATOM 0 H GLN A 78 -20.554 0.317 -4.656 1.00 0.00 H new ATOM 0 HA GLN A 78 -20.684 -1.858 -6.604 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -21.470 -2.176 -4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -22.655 -0.905 -4.508 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -23.869 -2.184 -6.129 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.571 -3.351 -6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -25.417 -3.735 -5.619 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -25.435 -4.574 -4.065 1.00 0.00 H new ATOM 1254 N LYS A 79 -22.259 -0.941 -8.268 1.00 0.00 N ATOM 1255 CA LYS A 79 -23.022 -0.346 -9.348 1.00 0.00 C ATOM 1256 C LYS A 79 -24.512 -0.546 -9.128 1.00 0.00 C ATOM 1257 O LYS A 79 -24.941 -1.618 -8.708 1.00 0.00 O ATOM 1258 CB LYS A 79 -22.608 -0.962 -10.686 1.00 0.00 C ATOM 1259 CG LYS A 79 -21.219 -0.552 -11.145 1.00 0.00 C ATOM 1260 CD LYS A 79 -21.183 0.921 -11.519 1.00 0.00 C ATOM 1261 CE LYS A 79 -22.080 1.213 -12.715 1.00 0.00 C ATOM 1262 NZ LYS A 79 -22.210 2.673 -12.976 1.00 0.00 N ATOM 0 H LYS A 79 -21.899 -1.874 -8.472 1.00 0.00 H new ATOM 0 HA LYS A 79 -22.814 0.724 -9.365 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -22.647 -2.048 -10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -23.332 -0.674 -11.448 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -20.497 -0.747 -10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -20.922 -1.156 -12.002 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -21.502 1.522 -10.668 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -20.159 1.214 -11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -21.675 0.722 -13.600 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -23.068 0.788 -12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -22.360 2.832 -13.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -23.020 3.050 -12.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -21.341 3.158 -12.675 1.00 0.00 H new ATOM 1276 N GLU A 80 -25.296 0.488 -9.417 1.00 0.00 N ATOM 1277 CA GLU A 80 -26.744 0.396 -9.315 1.00 0.00 C ATOM 1278 C GLU A 80 -27.260 -0.528 -10.405 1.00 0.00 C ATOM 1279 O GLU A 80 -27.854 -1.571 -10.137 1.00 0.00 O ATOM 1280 CB GLU A 80 -27.369 1.783 -9.456 1.00 0.00 C ATOM 1281 CG GLU A 80 -28.876 1.798 -9.299 1.00 0.00 C ATOM 1282 CD GLU A 80 -29.466 3.161 -9.589 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -29.448 4.026 -8.696 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -29.938 3.378 -10.725 1.00 0.00 O ATOM 0 H GLU A 80 -24.951 1.398 -9.723 1.00 0.00 H new ATOM 0 HA GLU A 80 -27.018 -0.006 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -26.930 2.446 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -27.112 2.189 -10.434 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -29.317 1.062 -9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -29.137 1.499 -8.284 1.00 0.00 H new ATOM 1427 N LEU A 88 -16.269 4.686 -17.293 1.00 0.00 N ATOM 1428 CA LEU A 88 -17.024 4.973 -16.074 1.00 0.00 C ATOM 1429 C LEU A 88 -16.908 6.441 -15.669 1.00 0.00 C ATOM 1430 O LEU A 88 -17.592 6.893 -14.754 1.00 0.00 O ATOM 1431 CB LEU A 88 -16.553 4.077 -14.915 1.00 0.00 C ATOM 1432 CG LEU A 88 -15.244 4.488 -14.218 1.00 0.00 C ATOM 1433 CD1 LEU A 88 -15.008 3.623 -12.991 1.00 0.00 C ATOM 1434 CD2 LEU A 88 -14.052 4.390 -15.161 1.00 0.00 C ATOM 0 HA LEU A 88 -18.071 4.760 -16.289 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.343 4.045 -14.165 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.433 3.062 -15.295 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.345 5.529 -13.912 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.079 3.924 -12.507 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.837 3.746 -12.294 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.939 2.577 -13.291 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.146 4.688 -14.634 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.948 3.363 -15.510 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.208 5.049 -16.015 1.00 0.00 H new ATOM 1446 N LEU A 89 -16.058 7.178 -16.366 1.00 0.00 N ATOM 1447 CA LEU A 89 -15.801 8.570 -16.030 1.00 0.00 C ATOM 1448 C LEU A 89 -16.696 9.486 -16.858 1.00 0.00 C ATOM 1449 O LEU A 89 -16.591 9.509 -18.085 1.00 0.00 O ATOM 1450 CB LEU A 89 -14.327 8.909 -16.272 1.00 0.00 C ATOM 1451 CG LEU A 89 -13.642 9.707 -15.156 1.00 0.00 C ATOM 1452 CD1 LEU A 89 -14.327 11.049 -14.941 1.00 0.00 C ATOM 1453 CD2 LEU A 89 -13.631 8.907 -13.864 1.00 0.00 C ATOM 0 H LEU A 89 -15.533 6.835 -17.170 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.026 8.723 -14.974 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.778 7.979 -16.420 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.250 9.476 -17.200 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.613 9.898 -15.461 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.820 11.593 -14.144 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.284 11.631 -15.862 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.368 10.886 -14.663 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.142 9.487 -13.081 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.655 8.685 -13.565 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.088 7.974 -14.018 1.00 0.00 H new ATOM 1465 N LYS A 90 -17.593 10.209 -16.182 1.00 0.00 N ATOM 1466 CA LYS A 90 -18.529 11.118 -16.852 1.00 0.00 C ATOM 1467 C LYS A 90 -17.786 12.137 -17.707 1.00 0.00 C ATOM 1468 O LYS A 90 -18.246 12.512 -18.785 1.00 0.00 O ATOM 1469 CB LYS A 90 -19.406 11.850 -15.830 1.00 0.00 C ATOM 1470 CG LYS A 90 -20.481 12.726 -16.465 1.00 0.00 C ATOM 1471 CD LYS A 90 -21.238 13.541 -15.427 1.00 0.00 C ATOM 1472 CE LYS A 90 -20.310 14.488 -14.688 1.00 0.00 C ATOM 1473 NZ LYS A 90 -21.045 15.352 -13.731 1.00 0.00 N ATOM 0 H LYS A 90 -17.691 10.183 -15.167 1.00 0.00 H new ATOM 0 HA LYS A 90 -19.165 10.513 -17.498 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -19.884 11.116 -15.181 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -18.771 12.470 -15.197 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -20.020 13.399 -17.188 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -21.182 12.098 -17.015 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -22.029 14.110 -15.915 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -21.720 12.871 -14.715 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -19.556 13.912 -14.151 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -19.781 15.113 -15.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -20.499 15.437 -12.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -21.180 16.295 -14.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -21.972 14.930 -13.524 1.00 0.00 H new ATOM 1487 N SER A 91 -16.639 12.585 -17.214 1.00 0.00 N ATOM 1488 CA SER A 91 -15.776 13.474 -17.965 1.00 0.00 C ATOM 1489 C SER A 91 -15.082 12.678 -19.060 1.00 0.00 C ATOM 1490 O SER A 91 -13.928 12.269 -18.926 1.00 0.00 O ATOM 1491 CB SER A 91 -14.753 14.125 -17.034 1.00 0.00 C ATOM 1492 OG SER A 91 -15.389 14.665 -15.888 1.00 0.00 O ATOM 0 H SER A 91 -16.286 12.342 -16.288 1.00 0.00 H new ATOM 0 HA SER A 91 -16.368 14.268 -18.420 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.010 13.388 -16.730 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.220 14.914 -17.566 1.00 0.00 H new ATOM 0 HG SER A 91 -14.717 15.075 -15.304 1.00 0.00 H new ATOM 1498 N GLU A 92 -15.836 12.418 -20.113 1.00 0.00 N ATOM 1499 CA GLU A 92 -15.386 11.590 -21.216 1.00 0.00 C ATOM 1500 C GLU A 92 -14.184 12.212 -21.917 1.00 0.00 C ATOM 1501 O GLU A 92 -13.297 11.501 -22.394 1.00 0.00 O ATOM 1502 CB GLU A 92 -16.534 11.372 -22.207 1.00 0.00 C ATOM 1503 CG GLU A 92 -16.195 10.409 -23.331 1.00 0.00 C ATOM 1504 CD GLU A 92 -17.370 10.130 -24.244 1.00 0.00 C ATOM 1505 OE1 GLU A 92 -18.194 9.258 -23.910 1.00 0.00 O ATOM 1506 OE2 GLU A 92 -17.462 10.766 -25.312 1.00 0.00 O ATOM 0 H GLU A 92 -16.784 12.778 -20.227 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.074 10.625 -20.816 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -17.402 10.995 -21.667 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -16.819 12.332 -22.637 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -15.374 10.820 -23.919 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -15.843 9.470 -22.904 1.00 0.00 H new ATOM 1513 N GLU A 93 -14.143 13.534 -21.965 1.00 0.00 N ATOM 1514 CA GLU A 93 -13.045 14.226 -22.613 1.00 0.00 C ATOM 1515 C GLU A 93 -11.823 14.311 -21.715 1.00 0.00 C ATOM 1516 O GLU A 93 -11.589 15.319 -21.050 1.00 0.00 O ATOM 1517 CB GLU A 93 -13.465 15.607 -23.092 1.00 0.00 C ATOM 1518 CG GLU A 93 -13.913 15.599 -24.535 1.00 0.00 C ATOM 1519 CD GLU A 93 -12.830 15.074 -25.457 1.00 0.00 C ATOM 1520 OE1 GLU A 93 -11.908 15.842 -25.796 1.00 0.00 O ATOM 1521 OE2 GLU A 93 -12.880 13.881 -25.820 1.00 0.00 O ATOM 0 H GLU A 93 -14.855 14.145 -21.564 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.769 13.637 -23.487 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.275 15.977 -22.464 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.631 16.299 -22.976 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.806 14.982 -24.635 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.188 16.610 -24.836 1.00 0.00 H new ATOM 1528 N LYS A 94 -11.077 13.212 -21.710 1.00 0.00 N ATOM 1529 CA LYS A 94 -9.805 13.085 -20.999 1.00 0.00 C ATOM 1530 C LYS A 94 -9.880 13.647 -19.579 1.00 0.00 C ATOM 1531 O LYS A 94 -9.503 14.795 -19.336 1.00 0.00 O ATOM 1532 CB LYS A 94 -8.661 13.756 -21.778 1.00 0.00 C ATOM 1533 CG LYS A 94 -8.412 13.150 -23.157 1.00 0.00 C ATOM 1534 CD LYS A 94 -9.420 13.643 -24.184 1.00 0.00 C ATOM 1535 CE LYS A 94 -9.321 12.868 -25.486 1.00 0.00 C ATOM 1536 NZ LYS A 94 -10.247 13.397 -26.524 1.00 0.00 N ATOM 0 H LYS A 94 -11.344 12.364 -22.211 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.595 12.018 -20.923 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.886 14.816 -21.893 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.745 13.687 -21.191 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.404 13.402 -23.488 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.463 12.063 -23.091 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.428 13.548 -23.780 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.253 14.703 -24.378 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.297 12.913 -25.857 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.547 11.818 -25.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.122 12.861 -27.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.229 13.299 -26.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.038 14.401 -26.697 1.00 0.00 H new ATOM 1550 N PRO A 95 -10.385 12.836 -18.633 1.00 0.00 N ATOM 1551 CA PRO A 95 -10.533 13.232 -17.231 1.00 0.00 C ATOM 1552 C PRO A 95 -9.260 13.847 -16.663 1.00 0.00 C ATOM 1553 O PRO A 95 -9.190 15.053 -16.418 1.00 0.00 O ATOM 1554 CB PRO A 95 -10.846 11.915 -16.499 1.00 0.00 C ATOM 1555 CG PRO A 95 -10.697 10.827 -17.514 1.00 0.00 C ATOM 1556 CD PRO A 95 -10.859 11.469 -18.861 1.00 0.00 C ATOM 0 HA PRO A 95 -11.305 13.993 -17.116 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -10.164 11.763 -15.663 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.856 11.928 -16.088 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.721 10.349 -17.428 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.447 10.051 -17.362 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.271 10.960 -19.624 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.897 11.452 -19.194 1.00 0.00 H new ATOM 1564 N ALA A 96 -8.253 13.006 -16.472 1.00 0.00 N ATOM 1565 CA ALA A 96 -6.978 13.429 -15.929 1.00 0.00 C ATOM 1566 C ALA A 96 -5.996 12.270 -15.995 1.00 0.00 C ATOM 1567 O ALA A 96 -6.402 11.112 -15.899 1.00 0.00 O ATOM 1568 CB ALA A 96 -7.138 13.906 -14.494 1.00 0.00 C ATOM 0 H ALA A 96 -8.301 12.011 -16.691 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.596 14.262 -16.520 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.169 14.219 -14.105 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.830 14.748 -14.465 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.530 13.093 -13.882 1.00 0.00 H new ATOM 1574 N PRO A 97 -4.698 12.561 -16.152 1.00 0.00 N ATOM 1575 CA PRO A 97 -3.666 11.529 -16.303 1.00 0.00 C ATOM 1576 C PRO A 97 -3.517 10.642 -15.070 1.00 0.00 C ATOM 1577 O PRO A 97 -2.989 9.534 -15.161 1.00 0.00 O ATOM 1578 CB PRO A 97 -2.383 12.332 -16.539 1.00 0.00 C ATOM 1579 CG PRO A 97 -2.666 13.685 -15.986 1.00 0.00 C ATOM 1580 CD PRO A 97 -4.130 13.920 -16.203 1.00 0.00 C ATOM 0 HA PRO A 97 -3.913 10.840 -17.110 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.532 11.871 -16.038 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -2.139 12.383 -17.600 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.416 13.734 -14.926 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.070 14.445 -16.490 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.554 14.563 -15.432 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.323 14.402 -17.161 1.00 0.00 H new ATOM 1588 N TYR A 98 -3.995 11.107 -13.918 1.00 0.00 N ATOM 1589 CA TYR A 98 -3.838 10.334 -12.696 1.00 0.00 C ATOM 1590 C TYR A 98 -4.846 9.200 -12.653 1.00 0.00 C ATOM 1591 O TYR A 98 -4.722 8.288 -11.840 1.00 0.00 O ATOM 1592 CB TYR A 98 -3.942 11.205 -11.433 1.00 0.00 C ATOM 1593 CG TYR A 98 -5.261 11.928 -11.235 1.00 0.00 C ATOM 1594 CD1 TYR A 98 -6.394 11.253 -10.793 1.00 0.00 C ATOM 1595 CD2 TYR A 98 -5.361 13.295 -11.456 1.00 0.00 C ATOM 1596 CE1 TYR A 98 -7.586 11.919 -10.577 1.00 0.00 C ATOM 1597 CE2 TYR A 98 -6.552 13.968 -11.248 1.00 0.00 C ATOM 1598 CZ TYR A 98 -7.660 13.276 -10.809 1.00 0.00 C ATOM 1599 OH TYR A 98 -8.843 13.942 -10.592 1.00 0.00 O ATOM 0 H TYR A 98 -4.483 11.996 -13.808 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.832 9.914 -12.707 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.762 10.573 -10.563 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.143 11.946 -11.459 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -6.342 10.189 -10.615 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -4.494 13.842 -11.796 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.454 11.379 -10.229 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.613 15.031 -11.429 1.00 0.00 H new ATOM 0 HH TYR A 98 -8.727 14.892 -10.802 1.00 0.00 H new ATOM 1609 N ILE A 99 -5.841 9.267 -13.532 1.00 0.00 N ATOM 1610 CA ILE A 99 -6.802 8.194 -13.659 1.00 0.00 C ATOM 1611 C ILE A 99 -6.242 7.100 -14.549 1.00 0.00 C ATOM 1612 O ILE A 99 -6.122 7.241 -15.771 1.00 0.00 O ATOM 1613 CB ILE A 99 -8.162 8.713 -14.166 1.00 0.00 C ATOM 1614 CG1 ILE A 99 -8.892 9.354 -12.992 1.00 0.00 C ATOM 1615 CG2 ILE A 99 -9.003 7.595 -14.776 1.00 0.00 C ATOM 1616 CD1 ILE A 99 -9.700 10.581 -13.356 1.00 0.00 C ATOM 0 H ILE A 99 -5.997 10.054 -14.162 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.982 7.767 -12.672 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.995 9.445 -14.956 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.557 8.615 -12.545 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.162 9.627 -12.230 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.954 8.002 -15.121 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.469 7.156 -15.619 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.188 6.828 -14.024 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.187 10.974 -12.463 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -9.040 11.341 -13.774 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -10.457 10.313 -14.093 1.00 0.00 H new ATOM 1628 N LYS A 100 -5.858 6.031 -13.889 1.00 0.00 N ATOM 1629 CA LYS A 100 -5.218 4.892 -14.522 1.00 0.00 C ATOM 1630 C LYS A 100 -5.944 3.612 -14.132 1.00 0.00 C ATOM 1631 O LYS A 100 -6.859 3.634 -13.311 1.00 0.00 O ATOM 1632 CB LYS A 100 -3.755 4.815 -14.079 1.00 0.00 C ATOM 1633 CG LYS A 100 -2.916 6.012 -14.496 1.00 0.00 C ATOM 1634 CD LYS A 100 -1.657 6.131 -13.648 1.00 0.00 C ATOM 1635 CE LYS A 100 -0.841 4.847 -13.656 1.00 0.00 C ATOM 1636 NZ LYS A 100 0.401 4.981 -12.855 1.00 0.00 N ATOM 0 H LYS A 100 -5.982 5.923 -12.882 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.260 5.010 -15.605 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.720 4.721 -12.994 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.309 3.910 -14.492 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.641 5.917 -15.547 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.507 6.923 -14.402 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.045 6.952 -14.021 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.932 6.379 -12.623 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.444 4.030 -13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.585 4.585 -14.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.844 4.047 -12.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.061 5.620 -13.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.170 5.370 -11.919 1.00 0.00 H new ATOM 1650 N VAL A 101 -5.531 2.499 -14.706 1.00 0.00 N ATOM 1651 CA VAL A 101 -6.143 1.221 -14.401 1.00 0.00 C ATOM 1652 C VAL A 101 -5.335 0.490 -13.331 1.00 0.00 C ATOM 1653 O VAL A 101 -4.101 0.490 -13.366 1.00 0.00 O ATOM 1654 CB VAL A 101 -6.273 0.347 -15.673 1.00 0.00 C ATOM 1655 CG1 VAL A 101 -4.913 0.090 -16.306 1.00 0.00 C ATOM 1656 CG2 VAL A 101 -6.987 -0.959 -15.364 1.00 0.00 C ATOM 0 H VAL A 101 -4.773 2.454 -15.387 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.146 1.408 -14.018 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.876 0.897 -16.395 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.037 -0.526 -17.197 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.455 1.040 -16.582 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.272 -0.428 -15.593 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.066 -1.555 -16.273 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.423 -1.514 -14.615 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.986 -0.746 -14.982 1.00 0.00 H new ATOM 1666 N ASP A 102 -6.030 -0.073 -12.354 1.00 0.00 N ATOM 1667 CA ASP A 102 -5.388 -0.910 -11.347 1.00 0.00 C ATOM 1668 C ASP A 102 -5.029 -2.256 -11.949 1.00 0.00 C ATOM 1669 O ASP A 102 -5.892 -3.109 -12.155 1.00 0.00 O ATOM 1670 CB ASP A 102 -6.295 -1.117 -10.134 1.00 0.00 C ATOM 1671 CG ASP A 102 -5.622 -1.946 -9.058 1.00 0.00 C ATOM 1672 OD1 ASP A 102 -4.898 -1.366 -8.226 1.00 0.00 O ATOM 1673 OD2 ASP A 102 -5.806 -3.178 -9.043 1.00 0.00 O ATOM 0 H ASP A 102 -7.038 0.033 -12.236 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.484 -0.401 -11.014 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.577 -0.148 -9.722 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.215 -1.609 -10.449 1.00 0.00 H new ATOM 1678 N TRP A 103 -3.757 -2.429 -12.259 1.00 0.00 N ATOM 1679 CA TRP A 103 -3.284 -3.652 -12.884 1.00 0.00 C ATOM 1680 C TRP A 103 -3.124 -4.763 -11.844 1.00 0.00 C ATOM 1681 O TRP A 103 -2.833 -5.911 -12.182 1.00 0.00 O ATOM 1682 CB TRP A 103 -1.959 -3.395 -13.614 1.00 0.00 C ATOM 1683 CG TRP A 103 -1.703 -4.351 -14.739 1.00 0.00 C ATOM 1684 CD1 TRP A 103 -0.812 -5.386 -14.758 1.00 0.00 C ATOM 1685 CD2 TRP A 103 -2.352 -4.359 -16.017 1.00 0.00 C ATOM 1686 NE1 TRP A 103 -0.868 -6.034 -15.968 1.00 0.00 N ATOM 1687 CE2 TRP A 103 -1.804 -5.424 -16.758 1.00 0.00 C ATOM 1688 CE3 TRP A 103 -3.340 -3.567 -16.606 1.00 0.00 C ATOM 1689 CZ2 TRP A 103 -2.215 -5.716 -18.057 1.00 0.00 C ATOM 1690 CZ3 TRP A 103 -3.750 -3.860 -17.894 1.00 0.00 C ATOM 1691 CH2 TRP A 103 -3.186 -4.925 -18.607 1.00 0.00 C ATOM 0 H TRP A 103 -3.030 -1.735 -12.087 1.00 0.00 H new ATOM 0 HA TRP A 103 -4.024 -3.978 -13.615 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -1.960 -2.378 -14.005 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -1.140 -3.461 -12.898 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.159 -5.656 -13.941 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -0.303 -6.840 -16.235 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -3.776 -2.740 -16.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -1.783 -6.537 -18.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.517 -3.258 -18.357 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.525 -5.126 -19.613 1.00 0.00 H new ATOM 1702 N ASN A 104 -3.334 -4.415 -10.579 1.00 0.00 N ATOM 1703 CA ASN A 104 -3.133 -5.353 -9.483 1.00 0.00 C ATOM 1704 C ASN A 104 -4.303 -6.320 -9.382 1.00 0.00 C ATOM 1705 O ASN A 104 -4.136 -7.534 -9.509 1.00 0.00 O ATOM 1706 CB ASN A 104 -2.973 -4.621 -8.144 1.00 0.00 C ATOM 1707 CG ASN A 104 -1.895 -3.556 -8.172 1.00 0.00 C ATOM 1708 OD1 ASN A 104 -0.711 -3.851 -7.993 1.00 0.00 O ATOM 1709 ND2 ASN A 104 -2.297 -2.304 -8.347 1.00 0.00 N ATOM 0 H ASN A 104 -3.644 -3.488 -10.288 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.218 -5.906 -9.696 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.923 -4.160 -7.873 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.737 -5.347 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.617 -1.544 -8.336 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.286 -2.102 -8.492 1.00 0.00 H new ATOM 1716 N LYS A 105 -5.490 -5.777 -9.156 1.00 0.00 N ATOM 1717 CA LYS A 105 -6.681 -6.592 -8.975 1.00 0.00 C ATOM 1718 C LYS A 105 -7.478 -6.698 -10.264 1.00 0.00 C ATOM 1719 O LYS A 105 -8.617 -7.177 -10.263 1.00 0.00 O ATOM 1720 CB LYS A 105 -7.548 -6.030 -7.850 1.00 0.00 C ATOM 1721 CG LYS A 105 -6.930 -6.213 -6.475 1.00 0.00 C ATOM 1722 CD LYS A 105 -7.816 -5.659 -5.374 1.00 0.00 C ATOM 1723 CE LYS A 105 -7.279 -6.021 -3.998 1.00 0.00 C ATOM 1724 NZ LYS A 105 -7.323 -7.488 -3.755 1.00 0.00 N ATOM 0 H LYS A 105 -5.654 -4.772 -9.094 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.361 -7.597 -8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.719 -4.968 -8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.523 -6.518 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.750 -7.273 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.960 -5.716 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.881 -4.575 -5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.827 -6.050 -5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.252 -5.668 -3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.863 -5.508 -3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.263 -7.673 -2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.215 -7.875 -4.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.522 -7.944 -4.237 1.00 0.00 H new ATOM 1738 N TRP A 106 -6.882 -6.244 -11.359 1.00 0.00 N ATOM 1739 CA TRP A 106 -7.467 -6.433 -12.672 1.00 0.00 C ATOM 1740 C TRP A 106 -7.593 -7.922 -12.967 1.00 0.00 C ATOM 1741 O TRP A 106 -6.739 -8.718 -12.567 1.00 0.00 O ATOM 1742 CB TRP A 106 -6.623 -5.748 -13.743 1.00 0.00 C ATOM 1743 CG TRP A 106 -7.456 -5.115 -14.809 1.00 0.00 C ATOM 1744 CD1 TRP A 106 -8.345 -4.097 -14.634 1.00 0.00 C ATOM 1745 CD2 TRP A 106 -7.490 -5.447 -16.203 1.00 0.00 C ATOM 1746 NE1 TRP A 106 -8.936 -3.775 -15.831 1.00 0.00 N ATOM 1747 CE2 TRP A 106 -8.426 -4.589 -16.810 1.00 0.00 C ATOM 1748 CE3 TRP A 106 -6.824 -6.386 -16.996 1.00 0.00 C ATOM 1749 CZ2 TRP A 106 -8.708 -4.641 -18.172 1.00 0.00 C ATOM 1750 CZ3 TRP A 106 -7.105 -6.435 -18.348 1.00 0.00 C ATOM 1751 CH2 TRP A 106 -8.040 -5.567 -18.924 1.00 0.00 C ATOM 0 H TRP A 106 -5.994 -5.743 -11.360 1.00 0.00 H new ATOM 0 HA TRP A 106 -8.459 -5.981 -12.683 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.997 -4.988 -13.276 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.953 -6.479 -14.196 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.554 -3.614 -13.691 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.639 -3.049 -15.969 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -6.103 -7.061 -16.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -9.429 -3.973 -18.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -6.595 -7.155 -18.971 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -8.238 -5.630 -19.984 1.00 0.00 H new