USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 886 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 44 SER OG : rot -1:sc= 1.11 USER MOD Set 1.2: A 81 MET CE :methyl 148:sc= -0.665 (180deg=-2.26!) USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= -0.0526 USER MOD Set 2.2: A 35 GLN : amide:sc= 0.501 K(o=0.45,f=-5.8!) USER MOD Set 3.1: A 16 TYR OH : rot -155:sc= 1.09 USER MOD Set 3.2: A 75 HIS : no HD1:sc= 0.619 K(o=1.7,f=-4.3!) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.0662 F(o=-2.1!,f=-0.066) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.433 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN :FLIP amide:sc=-0.00336 F(o=-0.98,f=-0.0034) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.013) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc=-0.00721 (180deg=-0.128) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 27 MET CE :methyl -163:sc= -0.103 (180deg=-0.589) USER MOD Single : A 28 SER OG : rot -55:sc= 0.369 USER MOD Single : A 30 HIS : no HD1:sc= -1.35 X(o=-1.4,f=-1.2) USER MOD Single : A 38 THR OG1 : rot 60:sc= 1.28 USER MOD Single : A 41 MET CE :methyl -153:sc= -0.225 (180deg=-0.896) USER MOD Single : A 42 GLN : amide:sc= -0.395 X(o=-0.4,f=-0.018) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.363 F(o=-1.4,f=-0.36) USER MOD Single : A 49 GLN : amide:sc= -0.351 K(o=-0.35,f=-4.7!) USER MOD Single : A 52 SER OG : rot 79:sc= 0.356 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0294 F(o=-1.2,f=-0.029) USER MOD Single : A 57 SER OG : rot 82:sc= -1.42 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= -1.98! (180deg=-2.93!) USER MOD Single : A 66 THR OG1 : rot -90:sc= 1.28 USER MOD Single : A 74 MET CE :methyl -115:sc= -0.337 (180deg=-0.929) USER MOD Single : A 82 SER OG : rot -33:sc= 0.571 USER MOD Single : A 84 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.19) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 111 HIS : no HE2:sc= 0.00487 K(o=0.0049,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.402 20.014 13.903 1.00 0.00 N ATOM 2 CA PRO A 1 3.713 18.951 12.932 1.00 0.00 C ATOM 3 C PRO A 1 2.457 18.569 12.164 1.00 0.00 C ATOM 4 O PRO A 1 1.351 18.822 12.638 1.00 0.00 O ATOM 5 CB PRO A 1 4.261 17.745 13.687 1.00 0.00 C ATOM 6 CG PRO A 1 4.231 18.172 15.116 1.00 0.00 C ATOM 7 CD PRO A 1 4.174 19.685 15.110 1.00 0.00 C ATOM 0 H2 PRO A 1 2.403 20.046 14.104 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.663 20.931 13.539 1.00 0.00 H new ATOM 0 HA PRO A 1 4.458 19.303 12.218 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.649 16.858 13.522 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.273 17.498 13.365 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.365 17.753 15.628 1.00 0.00 H new ATOM 0 HG3 PRO A 1 5.116 17.819 15.645 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.690 20.069 16.008 1.00 0.00 H new ATOM 0 HD3 PRO A 1 5.173 20.121 15.075 1.00 0.00 H new ATOM 17 N PRO A 2 2.609 17.986 10.959 1.00 0.00 N ATOM 18 CA PRO A 2 1.476 17.483 10.177 1.00 0.00 C ATOM 19 C PRO A 2 0.666 16.458 10.958 1.00 0.00 C ATOM 20 O PRO A 2 1.223 15.665 11.727 1.00 0.00 O ATOM 21 CB PRO A 2 2.134 16.824 8.958 1.00 0.00 C ATOM 22 CG PRO A 2 3.474 17.464 8.854 1.00 0.00 C ATOM 23 CD PRO A 2 3.890 17.780 10.261 1.00 0.00 C ATOM 0 HA PRO A 2 0.777 18.276 9.914 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.220 15.746 9.090 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.546 16.988 8.055 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.190 16.795 8.376 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.429 18.369 8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.462 16.964 10.704 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.518 18.670 10.304 1.00 0.00 H new ATOM 31 N VAL A 3 -0.644 16.484 10.774 1.00 0.00 N ATOM 32 CA VAL A 3 -1.528 15.585 11.481 1.00 0.00 C ATOM 33 C VAL A 3 -1.328 14.139 11.027 1.00 0.00 C ATOM 34 O VAL A 3 -1.323 13.843 9.832 1.00 0.00 O ATOM 35 CB VAL A 3 -3.002 15.999 11.301 1.00 0.00 C ATOM 36 CG1 VAL A 3 -3.268 17.322 12.002 1.00 0.00 C ATOM 37 CG2 VAL A 3 -3.380 16.091 9.825 1.00 0.00 C ATOM 0 H VAL A 3 -1.117 17.124 10.136 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.277 15.650 12.540 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.624 15.228 11.755 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.313 17.602 11.866 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.055 17.219 13.066 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.627 18.094 11.577 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.426 16.385 9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.751 16.833 9.334 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.234 15.120 9.351 1.00 0.00 H new ATOM 47 N ALA A 4 -1.120 13.248 11.986 1.00 0.00 N ATOM 48 CA ALA A 4 -1.000 11.828 11.691 1.00 0.00 C ATOM 49 C ALA A 4 -2.354 11.268 11.269 1.00 0.00 C ATOM 50 O ALA A 4 -3.205 10.955 12.108 1.00 0.00 O ATOM 51 CB ALA A 4 -0.449 11.076 12.898 1.00 0.00 C ATOM 0 H ALA A 4 -1.031 13.483 12.974 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.300 11.695 10.866 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.366 10.016 12.659 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.535 11.469 13.153 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.122 11.205 13.746 1.00 0.00 H new ATOM 57 N GLU A 5 -2.553 11.170 9.966 1.00 0.00 N ATOM 58 CA GLU A 5 -3.834 10.773 9.411 1.00 0.00 C ATOM 59 C GLU A 5 -3.621 10.001 8.110 1.00 0.00 C ATOM 60 O GLU A 5 -2.561 10.102 7.495 1.00 0.00 O ATOM 61 CB GLU A 5 -4.682 12.026 9.173 1.00 0.00 C ATOM 62 CG GLU A 5 -6.093 11.933 9.731 1.00 0.00 C ATOM 63 CD GLU A 5 -6.983 11.020 8.921 1.00 0.00 C ATOM 64 OE1 GLU A 5 -6.952 9.796 9.154 1.00 0.00 O ATOM 65 OE2 GLU A 5 -7.709 11.528 8.042 1.00 0.00 O ATOM 0 H GLU A 5 -1.835 11.362 9.267 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.357 10.118 10.108 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.180 12.883 9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.738 12.216 8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.049 11.573 10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.533 12.930 9.761 1.00 0.00 H new ATOM 72 N TRP A 6 -4.621 9.236 7.699 1.00 0.00 N ATOM 73 CA TRP A 6 -4.510 8.431 6.494 1.00 0.00 C ATOM 74 C TRP A 6 -5.647 8.781 5.539 1.00 0.00 C ATOM 75 O TRP A 6 -6.823 8.615 5.871 1.00 0.00 O ATOM 76 CB TRP A 6 -4.533 6.943 6.856 1.00 0.00 C ATOM 77 CG TRP A 6 -3.820 6.068 5.868 1.00 0.00 C ATOM 78 CD1 TRP A 6 -2.933 6.462 4.908 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.914 4.645 5.763 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.478 5.372 4.207 1.00 0.00 N ATOM 81 CE2 TRP A 6 -3.065 4.242 4.715 1.00 0.00 C ATOM 82 CE3 TRP A 6 -4.638 3.671 6.456 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -2.921 2.907 4.343 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.496 2.347 6.090 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.640 1.975 5.041 1.00 0.00 C ATOM 0 H TRP A 6 -5.516 9.156 8.181 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.564 8.644 5.997 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -4.079 6.811 7.838 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.569 6.614 6.937 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.632 7.483 4.726 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.812 5.399 3.435 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.298 3.949 7.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.266 2.618 3.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.052 1.586 6.618 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.547 0.931 4.779 1.00 0.00 H new ATOM 96 N ALA A 7 -5.285 9.265 4.355 1.00 0.00 N ATOM 97 CA ALA A 7 -6.246 9.806 3.391 1.00 0.00 C ATOM 98 C ALA A 7 -7.027 8.718 2.645 1.00 0.00 C ATOM 99 O ALA A 7 -7.258 8.816 1.437 1.00 0.00 O ATOM 100 CB ALA A 7 -5.529 10.713 2.402 1.00 0.00 C ATOM 0 H ALA A 7 -4.317 9.295 4.034 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.979 10.379 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.248 11.113 1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.056 11.535 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.768 10.142 1.870 1.00 0.00 H new ATOM 106 N VAL A 8 -7.440 7.693 3.368 1.00 0.00 N ATOM 107 CA VAL A 8 -8.328 6.679 2.827 1.00 0.00 C ATOM 108 C VAL A 8 -9.552 6.537 3.732 1.00 0.00 C ATOM 109 O VAL A 8 -9.411 6.339 4.940 1.00 0.00 O ATOM 110 CB VAL A 8 -7.610 5.313 2.657 1.00 0.00 C ATOM 111 CG1 VAL A 8 -7.014 4.831 3.972 1.00 0.00 C ATOM 112 CG2 VAL A 8 -8.556 4.267 2.082 1.00 0.00 C ATOM 0 H VAL A 8 -7.172 7.540 4.340 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.645 6.998 1.834 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.791 5.459 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.519 3.872 3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.288 5.560 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.808 4.715 4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.028 3.320 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.404 4.135 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.914 4.597 1.107 1.00 0.00 H new ATOM 122 N PRO A 9 -10.767 6.677 3.169 1.00 0.00 N ATOM 123 CA PRO A 9 -12.019 6.586 3.934 1.00 0.00 C ATOM 124 C PRO A 9 -12.091 5.321 4.788 1.00 0.00 C ATOM 125 O PRO A 9 -11.537 4.280 4.423 1.00 0.00 O ATOM 126 CB PRO A 9 -13.098 6.566 2.850 1.00 0.00 C ATOM 127 CG PRO A 9 -12.485 7.272 1.696 1.00 0.00 C ATOM 128 CD PRO A 9 -11.016 6.947 1.742 1.00 0.00 C ATOM 0 HA PRO A 9 -12.124 7.409 4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.377 5.546 2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.006 7.068 3.185 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.928 6.942 0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.649 8.347 1.765 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.777 6.083 1.122 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.410 7.777 1.379 1.00 0.00 H new ATOM 136 N GLN A 10 -12.776 5.418 5.923 1.00 0.00 N ATOM 137 CA GLN A 10 -12.841 4.320 6.882 1.00 0.00 C ATOM 138 C GLN A 10 -13.556 3.116 6.275 1.00 0.00 C ATOM 139 O GLN A 10 -13.156 1.976 6.498 1.00 0.00 O ATOM 140 CB GLN A 10 -13.540 4.782 8.169 1.00 0.00 C ATOM 141 CG GLN A 10 -12.976 4.156 9.445 1.00 0.00 C ATOM 142 CD GLN A 10 -13.434 2.725 9.683 1.00 0.00 C ATOM 143 OE1 GLN A 10 -14.673 2.425 9.321 1.00 0.00 O flip ATOM 144 NE2 GLN A 10 -12.690 1.904 10.225 1.00 0.00 N flip ATOM 0 H GLN A 10 -13.296 6.250 6.202 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.825 4.014 7.133 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.461 5.867 8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.601 4.544 8.099 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.887 4.176 9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.269 4.768 10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.742 2.172 10.490 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.023 0.957 10.409 1.00 0.00 H new ATOM 153 N SER A 11 -14.591 3.368 5.487 1.00 0.00 N ATOM 154 CA SER A 11 -15.308 2.292 4.815 1.00 0.00 C ATOM 155 C SER A 11 -14.408 1.631 3.771 1.00 0.00 C ATOM 156 O SER A 11 -14.386 0.407 3.636 1.00 0.00 O ATOM 157 CB SER A 11 -16.578 2.837 4.158 1.00 0.00 C ATOM 158 OG SER A 11 -17.352 3.573 5.092 1.00 0.00 O ATOM 0 H SER A 11 -14.952 4.303 5.297 1.00 0.00 H new ATOM 0 HA SER A 11 -15.592 1.542 5.553 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.312 3.476 3.316 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.169 2.013 3.759 1.00 0.00 H new ATOM 0 HG SER A 11 -18.158 3.914 4.652 1.00 0.00 H new ATOM 164 N SER A 12 -13.644 2.451 3.058 1.00 0.00 N ATOM 165 CA SER A 12 -12.743 1.963 2.027 1.00 0.00 C ATOM 166 C SER A 12 -11.599 1.153 2.634 1.00 0.00 C ATOM 167 O SER A 12 -11.248 0.088 2.124 1.00 0.00 O ATOM 168 CB SER A 12 -12.181 3.136 1.230 1.00 0.00 C ATOM 169 OG SER A 12 -13.215 4.011 0.818 1.00 0.00 O ATOM 0 H SER A 12 -13.633 3.464 3.179 1.00 0.00 H new ATOM 0 HA SER A 12 -13.309 1.310 1.363 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.459 3.681 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.645 2.764 0.357 1.00 0.00 H new ATOM 0 HG SER A 12 -12.830 4.756 0.310 1.00 0.00 H new ATOM 175 N ARG A 13 -11.024 1.650 3.730 1.00 0.00 N ATOM 176 CA ARG A 13 -9.888 0.979 4.361 1.00 0.00 C ATOM 177 C ARG A 13 -10.297 -0.398 4.886 1.00 0.00 C ATOM 178 O ARG A 13 -9.505 -1.337 4.865 1.00 0.00 O ATOM 179 CB ARG A 13 -9.278 1.843 5.481 1.00 0.00 C ATOM 180 CG ARG A 13 -10.158 2.017 6.706 1.00 0.00 C ATOM 181 CD ARG A 13 -9.489 2.897 7.754 1.00 0.00 C ATOM 182 NE ARG A 13 -9.263 4.264 7.275 1.00 0.00 N ATOM 183 CZ ARG A 13 -8.985 5.302 8.068 1.00 0.00 C ATOM 184 NH1 ARG A 13 -8.934 5.154 9.387 1.00 0.00 N ATOM 185 NH2 ARG A 13 -8.769 6.501 7.543 1.00 0.00 N ATOM 0 H ARG A 13 -11.323 2.507 4.195 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.118 0.837 3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.333 1.396 5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.047 2.828 5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.110 2.460 6.412 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.380 1.041 7.137 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.110 2.927 8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.536 2.454 8.042 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.322 4.433 6.271 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.108 4.240 9.805 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.721 5.954 9.982 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.815 6.631 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.557 7.293 8.150 1.00 0.00 H new ATOM 199 N LEU A 14 -11.546 -0.518 5.330 1.00 0.00 N ATOM 200 CA LEU A 14 -12.089 -1.799 5.754 1.00 0.00 C ATOM 201 C LEU A 14 -12.308 -2.704 4.549 1.00 0.00 C ATOM 202 O LEU A 14 -12.036 -3.901 4.594 1.00 0.00 O ATOM 203 CB LEU A 14 -13.414 -1.592 6.484 1.00 0.00 C ATOM 204 CG LEU A 14 -13.320 -0.908 7.845 1.00 0.00 C ATOM 205 CD1 LEU A 14 -14.698 -0.805 8.476 1.00 0.00 C ATOM 206 CD2 LEU A 14 -12.365 -1.661 8.761 1.00 0.00 C ATOM 0 H LEU A 14 -12.200 0.261 5.404 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.376 -2.271 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.071 -1.001 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.889 -2.564 6.618 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.927 0.099 7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.618 -0.315 9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.352 -0.222 7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.114 -1.804 8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.313 -1.157 9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.725 -2.680 8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.373 -1.686 8.311 1.00 0.00 H new ATOM 218 N LYS A 15 -12.790 -2.100 3.476 1.00 0.00 N ATOM 219 CA LYS A 15 -13.089 -2.800 2.234 1.00 0.00 C ATOM 220 C LYS A 15 -11.851 -3.502 1.677 1.00 0.00 C ATOM 221 O LYS A 15 -11.911 -4.675 1.309 1.00 0.00 O ATOM 222 CB LYS A 15 -13.633 -1.788 1.222 1.00 0.00 C ATOM 223 CG LYS A 15 -13.862 -2.334 -0.176 1.00 0.00 C ATOM 224 CD LYS A 15 -14.259 -1.217 -1.126 1.00 0.00 C ATOM 225 CE LYS A 15 -14.386 -1.701 -2.558 1.00 0.00 C ATOM 226 NZ LYS A 15 -14.711 -0.586 -3.484 1.00 0.00 N ATOM 0 H LYS A 15 -12.987 -1.100 3.440 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.835 -3.571 2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.576 -1.391 1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.938 -0.951 1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.955 -2.820 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.643 -3.094 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.208 -0.788 -0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.517 -0.420 -1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.453 -2.172 -2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.163 -2.463 -2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.790 -0.952 -4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.614 -0.153 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.957 0.129 -3.445 1.00 0.00 H new ATOM 240 N TYR A 16 -10.727 -2.794 1.622 1.00 0.00 N ATOM 241 CA TYR A 16 -9.507 -3.375 1.070 1.00 0.00 C ATOM 242 C TYR A 16 -8.813 -4.255 2.103 1.00 0.00 C ATOM 243 O TYR A 16 -8.141 -5.213 1.746 1.00 0.00 O ATOM 244 CB TYR A 16 -8.519 -2.299 0.598 1.00 0.00 C ATOM 245 CG TYR A 16 -9.128 -1.114 -0.122 1.00 0.00 C ATOM 246 CD1 TYR A 16 -9.953 -1.272 -1.230 1.00 0.00 C ATOM 247 CD2 TYR A 16 -8.845 0.175 0.304 1.00 0.00 C ATOM 248 CE1 TYR A 16 -10.478 -0.172 -1.889 1.00 0.00 C ATOM 249 CE2 TYR A 16 -9.367 1.274 -0.343 1.00 0.00 C ATOM 250 CZ TYR A 16 -10.181 1.099 -1.438 1.00 0.00 C ATOM 251 OH TYR A 16 -10.693 2.204 -2.084 1.00 0.00 O ATOM 0 H TYR A 16 -10.635 -1.832 1.947 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.809 -3.974 0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.971 -1.931 1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.791 -2.767 -0.064 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.188 -2.266 -1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.203 0.320 1.160 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.116 -0.308 -2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.138 2.269 0.008 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.108 2.975 -1.928 1.00 0.00 H new ATOM 261 N ARG A 17 -8.962 -3.933 3.384 1.00 0.00 N ATOM 262 CA ARG A 17 -8.368 -4.756 4.434 1.00 0.00 C ATOM 263 C ARG A 17 -9.052 -6.118 4.477 1.00 0.00 C ATOM 264 O ARG A 17 -8.471 -7.105 4.907 1.00 0.00 O ATOM 265 CB ARG A 17 -8.435 -4.076 5.803 1.00 0.00 C ATOM 266 CG ARG A 17 -7.726 -4.878 6.881 1.00 0.00 C ATOM 267 CD ARG A 17 -7.263 -4.014 8.040 1.00 0.00 C ATOM 268 NE ARG A 17 -8.370 -3.435 8.802 1.00 0.00 N ATOM 269 CZ ARG A 17 -9.039 -4.083 9.758 1.00 0.00 C ATOM 270 NH1 ARG A 17 -8.788 -5.365 9.999 1.00 0.00 N ATOM 271 NH2 ARG A 17 -9.967 -3.448 10.463 1.00 0.00 N ATOM 0 H ARG A 17 -9.481 -3.121 3.718 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.313 -4.891 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.986 -3.085 5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.478 -3.935 6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.397 -5.651 7.254 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.866 -5.386 6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.644 -4.613 8.708 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.633 -3.211 7.658 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.648 -2.477 8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.082 -5.858 9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.302 -5.856 10.731 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.168 -2.466 10.274 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.479 -3.942 11.194 1.00 0.00 H new ATOM 285 N GLN A 18 -10.291 -6.148 4.013 1.00 0.00 N ATOM 286 CA GLN A 18 -11.084 -7.366 3.924 1.00 0.00 C ATOM 287 C GLN A 18 -10.619 -8.256 2.776 1.00 0.00 C ATOM 288 O GLN A 18 -11.019 -9.407 2.661 1.00 0.00 O ATOM 289 CB GLN A 18 -12.534 -6.994 3.687 1.00 0.00 C ATOM 290 CG GLN A 18 -13.463 -7.430 4.802 1.00 0.00 C ATOM 291 CD GLN A 18 -14.926 -7.308 4.427 1.00 0.00 C ATOM 292 OE1 GLN A 18 -15.519 -8.244 3.886 1.00 0.00 O ATOM 293 NE2 GLN A 18 -15.519 -6.159 4.708 1.00 0.00 N ATOM 0 H GLN A 18 -10.782 -5.317 3.683 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.966 -7.915 4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.608 -5.913 3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.867 -7.443 2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.245 -8.465 5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.268 -6.826 5.688 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.992 -5.409 5.156 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.503 -6.023 4.476 1.00 0.00 H new ATOM 302 N LEU A 19 -9.800 -7.691 1.918 1.00 0.00 N ATOM 303 CA LEU A 19 -9.395 -8.337 0.669 1.00 0.00 C ATOM 304 C LEU A 19 -8.046 -7.836 0.229 1.00 0.00 C ATOM 305 O LEU A 19 -7.828 -7.733 -0.968 1.00 0.00 O ATOM 306 CB LEU A 19 -10.350 -7.874 -0.415 1.00 0.00 C ATOM 307 CG LEU A 19 -10.560 -8.842 -1.578 1.00 0.00 C ATOM 308 CD1 LEU A 19 -11.291 -10.090 -1.123 1.00 0.00 C ATOM 309 CD2 LEU A 19 -11.309 -8.154 -2.704 1.00 0.00 C ATOM 0 H LEU A 19 -9.389 -6.768 2.058 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.385 -9.416 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.318 -7.672 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.983 -6.929 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.583 -9.150 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.427 -10.761 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.707 -10.593 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.265 -9.814 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.452 -8.854 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.280 -7.816 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.734 -7.297 -3.053 1.00 0.00 H new ATOM 321 N PHE A 20 -7.102 -7.599 1.122 1.00 0.00 N ATOM 322 CA PHE A 20 -6.462 -8.560 2.051 1.00 0.00 C ATOM 323 C PHE A 20 -7.304 -9.690 2.678 1.00 0.00 C ATOM 324 O PHE A 20 -7.333 -10.785 2.125 1.00 0.00 O ATOM 325 CB PHE A 20 -5.798 -7.744 3.162 1.00 0.00 C ATOM 326 CG PHE A 20 -4.649 -8.432 3.837 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.462 -8.641 3.158 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.747 -8.843 5.155 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.392 -9.253 3.780 1.00 0.00 C ATOM 330 CE2 PHE A 20 -3.683 -9.458 5.779 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.504 -9.662 5.093 1.00 0.00 C ATOM 0 H PHE A 20 -6.721 -6.660 1.239 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.779 -9.124 1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.445 -6.802 2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.549 -7.497 3.913 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.371 -8.322 2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.665 -8.680 5.699 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.470 -9.411 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.773 -9.780 6.806 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.669 -10.141 5.583 1.00 0.00 H new ATOM 341 N ASN A 21 -7.987 -9.426 3.789 1.00 0.00 N ATOM 342 CA ASN A 21 -8.328 -10.463 4.793 1.00 0.00 C ATOM 343 C ASN A 21 -8.956 -11.748 4.226 1.00 0.00 C ATOM 344 O ASN A 21 -8.646 -12.834 4.706 1.00 0.00 O ATOM 345 CB ASN A 21 -9.252 -9.870 5.863 1.00 0.00 C ATOM 346 CG ASN A 21 -9.407 -10.754 7.091 1.00 0.00 C ATOM 347 OD1 ASN A 21 -8.377 -11.522 7.421 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 -10.442 -10.733 7.756 1.00 0.00 N flip ATOM 0 H ASN A 21 -8.324 -8.494 4.030 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.372 -10.770 5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.862 -8.900 6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.235 -9.694 5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.216 -10.131 7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.526 -11.317 8.588 1.00 0.00 H new ATOM 355 N SER A 22 -9.815 -11.645 3.224 1.00 0.00 N ATOM 356 CA SER A 22 -10.451 -12.832 2.646 1.00 0.00 C ATOM 357 C SER A 22 -9.419 -13.737 1.962 1.00 0.00 C ATOM 358 O SER A 22 -9.596 -14.955 1.882 1.00 0.00 O ATOM 359 CB SER A 22 -11.540 -12.412 1.656 1.00 0.00 C ATOM 360 OG SER A 22 -12.219 -13.534 1.114 1.00 0.00 O ATOM 0 H SER A 22 -10.090 -10.762 2.793 1.00 0.00 H new ATOM 0 HA SER A 22 -10.908 -13.404 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.256 -11.761 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.093 -11.832 0.848 1.00 0.00 H new ATOM 0 HG SER A 22 -12.908 -13.228 0.488 1.00 0.00 H new ATOM 366 N HIS A 23 -8.333 -13.143 1.485 1.00 0.00 N ATOM 367 CA HIS A 23 -7.272 -13.896 0.824 1.00 0.00 C ATOM 368 C HIS A 23 -6.210 -14.322 1.828 1.00 0.00 C ATOM 369 O HIS A 23 -5.411 -15.218 1.559 1.00 0.00 O ATOM 370 CB HIS A 23 -6.627 -13.065 -0.289 1.00 0.00 C ATOM 371 CG HIS A 23 -7.453 -12.981 -1.537 1.00 0.00 C ATOM 372 ND1 HIS A 23 -7.120 -13.636 -2.702 1.00 0.00 N ATOM 373 CD2 HIS A 23 -8.593 -12.301 -1.804 1.00 0.00 C ATOM 374 CE1 HIS A 23 -8.020 -13.369 -3.629 1.00 0.00 C ATOM 375 NE2 HIS A 23 -8.922 -12.560 -3.110 1.00 0.00 N ATOM 0 H HIS A 23 -8.162 -12.139 1.543 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.720 -14.786 0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.444 -12.057 0.083 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.656 -13.495 -0.535 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.141 -11.672 -1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.018 -13.748 -4.640 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.734 -12.187 -3.601 1.00 0.00 H new ATOM 384 N ASP A 24 -6.213 -13.673 2.984 1.00 0.00 N ATOM 385 CA ASP A 24 -5.264 -13.989 4.043 1.00 0.00 C ATOM 386 C ASP A 24 -5.803 -15.137 4.891 1.00 0.00 C ATOM 387 O ASP A 24 -7.016 -15.287 5.048 1.00 0.00 O ATOM 388 CB ASP A 24 -4.997 -12.761 4.917 1.00 0.00 C ATOM 389 CG ASP A 24 -3.910 -13.012 5.944 1.00 0.00 C ATOM 390 OD1 ASP A 24 -4.220 -13.533 7.028 1.00 0.00 O ATOM 391 OD2 ASP A 24 -2.736 -12.710 5.666 1.00 0.00 O ATOM 0 H ASP A 24 -6.864 -12.922 3.213 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.321 -14.292 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.709 -11.922 4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.916 -12.474 5.427 1.00 0.00 H new ATOM 396 N LYS A 25 -4.907 -15.952 5.426 1.00 0.00 N ATOM 397 CA LYS A 25 -5.309 -17.153 6.142 1.00 0.00 C ATOM 398 C LYS A 25 -4.942 -17.087 7.625 1.00 0.00 C ATOM 399 O LYS A 25 -4.910 -18.112 8.308 1.00 0.00 O ATOM 400 CB LYS A 25 -4.670 -18.366 5.473 1.00 0.00 C ATOM 401 CG LYS A 25 -5.043 -18.477 4.002 1.00 0.00 C ATOM 402 CD LYS A 25 -4.393 -19.676 3.336 1.00 0.00 C ATOM 403 CE LYS A 25 -4.878 -19.848 1.903 1.00 0.00 C ATOM 404 NZ LYS A 25 -4.585 -18.657 1.062 1.00 0.00 N ATOM 0 H LYS A 25 -3.899 -15.804 5.378 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.395 -17.238 6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.586 -18.301 5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.981 -19.271 5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.126 -18.554 3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.742 -17.567 3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.310 -19.555 3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.616 -20.577 3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.404 -20.726 1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.952 -20.034 1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.793 -18.875 0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.176 -17.859 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.581 -18.402 1.159 1.00 0.00 H new ATOM 418 N THR A 26 -4.689 -15.881 8.123 1.00 0.00 N ATOM 419 CA THR A 26 -4.381 -15.679 9.535 1.00 0.00 C ATOM 420 C THR A 26 -5.043 -14.403 10.062 1.00 0.00 C ATOM 421 O THR A 26 -6.021 -14.454 10.817 1.00 0.00 O ATOM 422 CB THR A 26 -2.854 -15.594 9.774 1.00 0.00 C ATOM 423 OG1 THR A 26 -2.256 -14.704 8.819 1.00 0.00 O ATOM 424 CG2 THR A 26 -2.197 -16.964 9.677 1.00 0.00 C ATOM 0 H THR A 26 -4.691 -15.026 7.567 1.00 0.00 H new ATOM 0 HA THR A 26 -4.775 -16.541 10.074 1.00 0.00 H new ATOM 0 HB THR A 26 -2.696 -15.212 10.782 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.290 -14.655 8.978 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.125 -16.867 9.850 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.627 -17.628 10.427 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.368 -17.380 8.684 1.00 0.00 H new ATOM 432 N MET A 27 -4.520 -13.269 9.613 1.00 0.00 N ATOM 433 CA MET A 27 -4.947 -11.950 10.067 1.00 0.00 C ATOM 434 C MET A 27 -4.117 -10.877 9.374 1.00 0.00 C ATOM 435 O MET A 27 -4.626 -9.825 8.990 1.00 0.00 O ATOM 436 CB MET A 27 -4.790 -11.818 11.587 1.00 0.00 C ATOM 437 CG MET A 27 -5.140 -10.436 12.124 1.00 0.00 C ATOM 438 SD MET A 27 -4.839 -10.281 13.896 1.00 0.00 S ATOM 439 CE MET A 27 -5.963 -11.521 14.536 1.00 0.00 C ATOM 0 H MET A 27 -3.778 -13.238 8.914 1.00 0.00 H new ATOM 0 HA MET A 27 -6.000 -11.823 9.815 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.425 -12.558 12.074 1.00 0.00 H new ATOM 0 HB3 MET A 27 -3.761 -12.053 11.858 1.00 0.00 H new ATOM 0 HG2 MET A 27 -4.554 -9.685 11.593 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.190 -10.226 11.918 1.00 0.00 H new ATOM 0 HE1 MET A 27 -6.125 -11.351 15.600 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.915 -11.455 14.009 1.00 0.00 H new ATOM 0 HE3 MET A 27 -5.534 -12.512 14.388 1.00 0.00 H new ATOM 449 N SER A 28 -2.832 -11.165 9.213 1.00 0.00 N ATOM 450 CA SER A 28 -1.906 -10.235 8.593 1.00 0.00 C ATOM 451 C SER A 28 -0.632 -10.976 8.192 1.00 0.00 C ATOM 452 O SER A 28 0.480 -10.509 8.441 1.00 0.00 O ATOM 453 CB SER A 28 -1.586 -9.089 9.563 1.00 0.00 C ATOM 454 OG SER A 28 -0.784 -8.094 8.948 1.00 0.00 O ATOM 0 H SER A 28 -2.407 -12.044 9.507 1.00 0.00 H new ATOM 0 HA SER A 28 -2.360 -9.809 7.698 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.515 -8.641 9.917 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.069 -9.485 10.437 1.00 0.00 H new ATOM 0 HG SER A 28 0.029 -8.506 8.587 1.00 0.00 H new ATOM 460 N GLY A 29 -0.808 -12.123 7.545 1.00 0.00 N ATOM 461 CA GLY A 29 0.325 -12.950 7.159 1.00 0.00 C ATOM 462 C GLY A 29 0.952 -12.498 5.853 1.00 0.00 C ATOM 463 O GLY A 29 1.735 -13.233 5.257 1.00 0.00 O ATOM 0 H GLY A 29 -1.719 -12.498 7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.076 -12.923 7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.000 -13.986 7.063 1.00 0.00 H new ATOM 467 N HIS A 30 0.585 -11.284 5.432 1.00 0.00 N ATOM 468 CA HIS A 30 1.071 -10.626 4.206 1.00 0.00 C ATOM 469 C HIS A 30 0.771 -11.415 2.931 1.00 0.00 C ATOM 470 O HIS A 30 0.628 -12.634 2.932 1.00 0.00 O ATOM 471 CB HIS A 30 2.574 -10.263 4.265 1.00 0.00 C ATOM 472 CG HIS A 30 3.547 -11.410 4.145 1.00 0.00 C ATOM 473 ND1 HIS A 30 4.338 -11.836 5.190 1.00 0.00 N ATOM 474 CD2 HIS A 30 3.876 -12.198 3.089 1.00 0.00 C ATOM 475 CE1 HIS A 30 5.103 -12.829 4.788 1.00 0.00 C ATOM 476 NE2 HIS A 30 4.844 -13.072 3.517 1.00 0.00 N ATOM 0 H HIS A 30 -0.080 -10.710 5.949 1.00 0.00 H new ATOM 0 HA HIS A 30 0.503 -9.697 4.160 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.785 -9.551 3.467 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.765 -9.750 5.208 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.454 -12.147 2.096 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.822 -13.357 5.397 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.290 -13.791 2.947 1.00 0.00 H new ATOM 485 N LEU A 31 0.678 -10.684 1.839 1.00 0.00 N ATOM 486 CA LEU A 31 0.555 -11.280 0.521 1.00 0.00 C ATOM 487 C LEU A 31 1.837 -11.016 -0.254 1.00 0.00 C ATOM 488 O LEU A 31 2.432 -9.950 -0.117 1.00 0.00 O ATOM 489 CB LEU A 31 -0.653 -10.705 -0.228 1.00 0.00 C ATOM 490 CG LEU A 31 -2.009 -10.958 0.434 1.00 0.00 C ATOM 491 CD1 LEU A 31 -3.117 -10.282 -0.356 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.275 -12.453 0.556 1.00 0.00 C ATOM 0 H LEU A 31 0.685 -9.664 1.838 1.00 0.00 H new ATOM 0 HA LEU A 31 0.399 -12.354 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.515 -9.629 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.672 -11.127 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.989 -10.531 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.076 -10.471 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.935 -9.208 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.137 -10.682 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.244 -12.613 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.277 -12.904 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.495 -12.913 1.162 1.00 0.00 H new ATOM 504 N THR A 32 2.284 -11.984 -1.034 1.00 0.00 N ATOM 505 CA THR A 32 3.527 -11.831 -1.776 1.00 0.00 C ATOM 506 C THR A 32 3.295 -11.105 -3.097 1.00 0.00 C ATOM 507 O THR A 32 2.157 -10.770 -3.436 1.00 0.00 O ATOM 508 CB THR A 32 4.199 -13.191 -2.043 1.00 0.00 C ATOM 509 OG1 THR A 32 3.272 -14.079 -2.676 1.00 0.00 O ATOM 510 CG2 THR A 32 4.698 -13.813 -0.749 1.00 0.00 C ATOM 0 H THR A 32 1.811 -12.877 -1.171 1.00 0.00 H new ATOM 0 HA THR A 32 4.194 -11.232 -1.156 1.00 0.00 H new ATOM 0 HB THR A 32 5.052 -13.025 -2.701 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.707 -14.941 -2.844 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.168 -14.772 -0.964 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.426 -13.149 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.858 -13.965 -0.071 1.00 0.00 H new ATOM 518 N GLY A 33 4.381 -10.875 -3.830 1.00 0.00 N ATOM 519 CA GLY A 33 4.320 -10.154 -5.089 1.00 0.00 C ATOM 520 C GLY A 33 3.280 -10.703 -6.041 1.00 0.00 C ATOM 521 O GLY A 33 2.317 -10.008 -6.367 1.00 0.00 O ATOM 0 H GLY A 33 5.318 -11.182 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.102 -9.105 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.298 -10.191 -5.569 1.00 0.00 H new ATOM 525 N PRO A 34 3.450 -11.946 -6.511 1.00 0.00 N ATOM 526 CA PRO A 34 2.502 -12.587 -7.420 1.00 0.00 C ATOM 527 C PRO A 34 1.071 -12.570 -6.888 1.00 0.00 C ATOM 528 O PRO A 34 0.148 -12.183 -7.599 1.00 0.00 O ATOM 529 CB PRO A 34 3.012 -14.031 -7.538 1.00 0.00 C ATOM 530 CG PRO A 34 4.031 -14.189 -6.458 1.00 0.00 C ATOM 531 CD PRO A 34 4.590 -12.820 -6.212 1.00 0.00 C ATOM 0 HA PRO A 34 2.456 -12.063 -8.375 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.198 -14.745 -7.415 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.450 -14.213 -8.519 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.580 -14.594 -5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.816 -14.882 -6.761 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.932 -12.701 -5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.442 -12.609 -6.858 1.00 0.00 H new ATOM 539 N GLN A 35 0.900 -12.961 -5.629 1.00 0.00 N ATOM 540 CA GLN A 35 -0.425 -13.073 -5.025 1.00 0.00 C ATOM 541 C GLN A 35 -1.142 -11.722 -4.992 1.00 0.00 C ATOM 542 O GLN A 35 -2.252 -11.586 -5.510 1.00 0.00 O ATOM 543 CB GLN A 35 -0.303 -13.631 -3.609 1.00 0.00 C ATOM 544 CG GLN A 35 0.299 -15.027 -3.553 1.00 0.00 C ATOM 545 CD GLN A 35 0.625 -15.461 -2.137 1.00 0.00 C ATOM 546 OE1 GLN A 35 0.934 -14.633 -1.277 1.00 0.00 O ATOM 547 NE2 GLN A 35 0.592 -16.761 -1.894 1.00 0.00 N ATOM 0 H GLN A 35 1.667 -13.207 -5.003 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.018 -13.753 -5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.311 -12.956 -3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.291 -13.652 -3.150 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.398 -15.738 -3.996 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.207 -15.052 -4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.331 -17.412 -2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.828 -17.112 -0.966 1.00 0.00 H new ATOM 556 N ALA A 36 -0.492 -10.728 -4.396 1.00 0.00 N ATOM 557 CA ALA A 36 -1.072 -9.396 -4.260 1.00 0.00 C ATOM 558 C ALA A 36 -1.379 -8.779 -5.625 1.00 0.00 C ATOM 559 O ALA A 36 -2.460 -8.234 -5.843 1.00 0.00 O ATOM 560 CB ALA A 36 -0.134 -8.502 -3.476 1.00 0.00 C ATOM 0 H ALA A 36 0.442 -10.820 -3.997 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.014 -9.489 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.574 -7.509 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.029 -8.926 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.819 -8.427 -3.999 1.00 0.00 H new ATOM 566 N ARG A 37 -0.428 -8.894 -6.548 1.00 0.00 N ATOM 567 CA ARG A 37 -0.552 -8.286 -7.863 1.00 0.00 C ATOM 568 C ARG A 37 -1.602 -8.999 -8.712 1.00 0.00 C ATOM 569 O ARG A 37 -2.234 -8.381 -9.566 1.00 0.00 O ATOM 570 CB ARG A 37 0.802 -8.301 -8.563 1.00 0.00 C ATOM 571 CG ARG A 37 1.154 -6.975 -9.201 1.00 0.00 C ATOM 572 CD ARG A 37 2.522 -7.016 -9.856 1.00 0.00 C ATOM 573 NE ARG A 37 3.576 -7.383 -8.909 1.00 0.00 N ATOM 574 CZ ARG A 37 4.495 -8.318 -9.150 1.00 0.00 C ATOM 575 NH1 ARG A 37 4.495 -8.968 -10.307 1.00 0.00 N ATOM 576 NH2 ARG A 37 5.420 -8.596 -8.239 1.00 0.00 N ATOM 0 H ARG A 37 0.442 -9.407 -6.405 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.881 -7.255 -7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.575 -8.567 -7.842 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.800 -9.077 -9.329 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.401 -6.718 -9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.135 -6.190 -8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.508 -7.732 -10.678 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.746 -6.040 -10.287 1.00 0.00 H new ATOM 0 HE ARG A 37 3.609 -6.896 -8.014 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.791 -8.752 -11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.199 -9.683 -10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.429 -8.094 -7.351 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.122 -9.312 -8.427 1.00 0.00 H new ATOM 590 N THR A 38 -1.789 -10.293 -8.482 1.00 0.00 N ATOM 591 CA THR A 38 -2.810 -11.046 -9.200 1.00 0.00 C ATOM 592 C THR A 38 -4.198 -10.493 -8.886 1.00 0.00 C ATOM 593 O THR A 38 -5.023 -10.326 -9.783 1.00 0.00 O ATOM 594 CB THR A 38 -2.763 -12.555 -8.872 1.00 0.00 C ATOM 595 OG1 THR A 38 -1.528 -13.116 -9.336 1.00 0.00 O ATOM 596 CG2 THR A 38 -3.929 -13.299 -9.513 1.00 0.00 C ATOM 0 H THR A 38 -1.251 -10.840 -7.809 1.00 0.00 H new ATOM 0 HA THR A 38 -2.602 -10.932 -10.264 1.00 0.00 H new ATOM 0 HB THR A 38 -2.838 -12.665 -7.790 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.778 -12.662 -8.899 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.866 -14.358 -9.263 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.869 -12.893 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.886 -13.179 -10.596 1.00 0.00 H new ATOM 604 N ILE A 39 -4.441 -10.189 -7.615 1.00 0.00 N ATOM 605 CA ILE A 39 -5.701 -9.576 -7.203 1.00 0.00 C ATOM 606 C ILE A 39 -5.857 -8.220 -7.885 1.00 0.00 C ATOM 607 O ILE A 39 -6.928 -7.872 -8.384 1.00 0.00 O ATOM 608 CB ILE A 39 -5.759 -9.386 -5.670 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.449 -10.708 -4.959 1.00 0.00 C ATOM 610 CG2 ILE A 39 -7.124 -8.862 -5.243 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.369 -10.583 -3.453 1.00 0.00 C ATOM 0 H ILE A 39 -3.784 -10.356 -6.853 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.513 -10.241 -7.498 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.006 -8.650 -5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.218 -11.437 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.503 -11.099 -5.333 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.143 -8.736 -4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.312 -7.902 -5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.895 -9.573 -5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.147 -11.558 -3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.580 -9.879 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.322 -10.222 -3.067 1.00 0.00 H new ATOM 623 N LEU A 40 -4.755 -7.480 -7.920 1.00 0.00 N ATOM 624 CA LEU A 40 -4.699 -6.186 -8.587 1.00 0.00 C ATOM 625 C LEU A 40 -5.041 -6.313 -10.074 1.00 0.00 C ATOM 626 O LEU A 40 -5.814 -5.523 -10.617 1.00 0.00 O ATOM 627 CB LEU A 40 -3.296 -5.590 -8.418 1.00 0.00 C ATOM 628 CG LEU A 40 -2.890 -5.265 -6.976 1.00 0.00 C ATOM 629 CD1 LEU A 40 -1.498 -4.661 -6.936 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.889 -4.322 -6.326 1.00 0.00 C ATOM 0 H LEU A 40 -3.875 -7.761 -7.487 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.438 -5.527 -8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.570 -6.289 -8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.234 -4.677 -9.010 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.884 -6.198 -6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.228 -4.437 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.782 -5.369 -7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.483 -3.742 -7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.576 -4.109 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.934 -3.392 -6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.874 -4.788 -6.314 1.00 0.00 H new ATOM 642 N MET A 41 -4.468 -7.323 -10.718 1.00 0.00 N ATOM 643 CA MET A 41 -4.657 -7.543 -12.147 1.00 0.00 C ATOM 644 C MET A 41 -6.098 -7.948 -12.456 1.00 0.00 C ATOM 645 O MET A 41 -6.650 -7.570 -13.493 1.00 0.00 O ATOM 646 CB MET A 41 -3.668 -8.614 -12.636 1.00 0.00 C ATOM 647 CG MET A 41 -3.563 -8.740 -14.154 1.00 0.00 C ATOM 648 SD MET A 41 -4.908 -9.697 -14.888 1.00 0.00 S ATOM 649 CE MET A 41 -4.657 -11.304 -14.130 1.00 0.00 C ATOM 0 H MET A 41 -3.862 -8.009 -10.267 1.00 0.00 H new ATOM 0 HA MET A 41 -4.461 -6.610 -12.676 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.680 -8.387 -12.235 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.965 -9.579 -12.225 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.554 -7.743 -14.594 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.612 -9.209 -14.408 1.00 0.00 H new ATOM 0 HE1 MET A 41 -5.048 -12.081 -14.787 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.592 -11.468 -13.968 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.179 -11.341 -13.174 1.00 0.00 H new ATOM 659 N GLN A 42 -6.718 -8.688 -11.539 1.00 0.00 N ATOM 660 CA GLN A 42 -8.080 -9.183 -11.739 1.00 0.00 C ATOM 661 C GLN A 42 -9.117 -8.077 -11.578 1.00 0.00 C ATOM 662 O GLN A 42 -10.317 -8.325 -11.690 1.00 0.00 O ATOM 663 CB GLN A 42 -8.397 -10.316 -10.761 1.00 0.00 C ATOM 664 CG GLN A 42 -7.554 -11.560 -10.966 1.00 0.00 C ATOM 665 CD GLN A 42 -7.963 -12.685 -10.043 1.00 0.00 C ATOM 666 OE1 GLN A 42 -8.809 -13.511 -10.385 1.00 0.00 O ATOM 667 NE2 GLN A 42 -7.375 -12.722 -8.859 1.00 0.00 N ATOM 0 H GLN A 42 -6.299 -8.959 -10.649 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.131 -9.558 -12.761 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.252 -9.955 -9.743 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.449 -10.582 -10.858 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.643 -11.891 -12.001 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.505 -11.318 -10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.678 -12.019 -8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.618 -13.454 -8.191 1.00 0.00 H new ATOM 676 N SER A 43 -8.663 -6.864 -11.305 1.00 0.00 N ATOM 677 CA SER A 43 -9.572 -5.742 -11.190 1.00 0.00 C ATOM 678 C SER A 43 -10.008 -5.257 -12.574 1.00 0.00 C ATOM 679 O SER A 43 -11.085 -5.619 -13.043 1.00 0.00 O ATOM 680 CB SER A 43 -8.922 -4.614 -10.392 1.00 0.00 C ATOM 681 OG SER A 43 -8.624 -5.035 -9.070 1.00 0.00 O ATOM 0 H SER A 43 -7.679 -6.635 -11.161 1.00 0.00 H new ATOM 0 HA SER A 43 -10.464 -6.068 -10.655 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.008 -4.291 -10.890 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.590 -3.753 -10.362 1.00 0.00 H new ATOM 0 HG SER A 43 -8.207 -4.297 -8.578 1.00 0.00 H new ATOM 687 N SER A 44 -9.157 -4.468 -13.231 1.00 0.00 N ATOM 688 CA SER A 44 -9.465 -3.902 -14.553 1.00 0.00 C ATOM 689 C SER A 44 -8.235 -3.220 -15.152 1.00 0.00 C ATOM 690 O SER A 44 -7.970 -3.336 -16.348 1.00 0.00 O ATOM 691 CB SER A 44 -10.602 -2.862 -14.476 1.00 0.00 C ATOM 692 OG SER A 44 -11.850 -3.448 -14.137 1.00 0.00 O ATOM 0 H SER A 44 -8.241 -4.203 -12.869 1.00 0.00 H new ATOM 0 HA SER A 44 -9.779 -4.734 -15.183 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.347 -2.103 -13.736 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.691 -2.354 -15.436 1.00 0.00 H new ATOM 0 HG SER A 44 -11.739 -4.416 -14.033 1.00 0.00 H new ATOM 698 N LEU A 45 -7.488 -2.521 -14.302 1.00 0.00 N ATOM 699 CA LEU A 45 -6.411 -1.647 -14.753 1.00 0.00 C ATOM 700 C LEU A 45 -5.320 -2.409 -15.497 1.00 0.00 C ATOM 701 O LEU A 45 -5.011 -3.559 -15.174 1.00 0.00 O ATOM 702 CB LEU A 45 -5.803 -0.909 -13.563 1.00 0.00 C ATOM 703 CG LEU A 45 -6.813 -0.188 -12.672 1.00 0.00 C ATOM 704 CD1 LEU A 45 -6.114 0.435 -11.480 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.565 0.874 -13.460 1.00 0.00 C ATOM 0 H LEU A 45 -7.611 -2.544 -13.290 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.847 -0.932 -15.451 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.249 -1.624 -12.955 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.083 -0.180 -13.935 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.535 -0.920 -12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.846 0.945 -10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.621 -0.344 -10.899 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.371 1.153 -11.828 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.279 1.375 -12.806 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.858 1.605 -13.853 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.098 0.404 -14.287 1.00 0.00 H new ATOM 717 N PRO A 46 -4.740 -1.757 -16.514 1.00 0.00 N ATOM 718 CA PRO A 46 -3.640 -2.305 -17.313 1.00 0.00 C ATOM 719 C PRO A 46 -2.359 -2.489 -16.504 1.00 0.00 C ATOM 720 O PRO A 46 -2.178 -1.880 -15.446 1.00 0.00 O ATOM 721 CB PRO A 46 -3.418 -1.254 -18.410 1.00 0.00 C ATOM 722 CG PRO A 46 -4.624 -0.383 -18.381 1.00 0.00 C ATOM 723 CD PRO A 46 -5.135 -0.423 -16.974 1.00 0.00 C ATOM 0 HA PRO A 46 -3.887 -3.296 -17.694 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.513 -0.676 -18.222 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.298 -1.725 -19.386 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.375 0.636 -18.676 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.380 -0.741 -19.080 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.691 0.362 -16.362 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.216 -0.286 -16.934 1.00 0.00 H new ATOM 731 N GLN A 47 -1.462 -3.314 -17.038 1.00 0.00 N ATOM 732 CA GLN A 47 -0.206 -3.652 -16.368 1.00 0.00 C ATOM 733 C GLN A 47 0.652 -2.420 -16.076 1.00 0.00 C ATOM 734 O GLN A 47 1.428 -2.418 -15.120 1.00 0.00 O ATOM 735 CB GLN A 47 0.584 -4.690 -17.187 1.00 0.00 C ATOM 736 CG GLN A 47 0.633 -4.430 -18.693 1.00 0.00 C ATOM 737 CD GLN A 47 1.568 -3.303 -19.099 1.00 0.00 C ATOM 738 OE1 GLN A 47 2.685 -3.158 -18.397 1.00 0.00 O flip ATOM 739 NE2 GLN A 47 1.296 -2.578 -20.055 1.00 0.00 N flip ATOM 0 H GLN A 47 -1.583 -3.766 -17.944 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.466 -4.090 -15.404 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.605 -4.728 -16.808 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.145 -5.673 -17.018 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.943 -5.345 -19.199 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.373 -4.197 -19.043 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.428 -2.719 -20.571 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.939 -1.836 -20.331 1.00 0.00 H new ATOM 748 N ALA A 48 0.511 -1.376 -16.885 1.00 0.00 N ATOM 749 CA ALA A 48 1.260 -0.142 -16.674 1.00 0.00 C ATOM 750 C ALA A 48 0.863 0.502 -15.353 1.00 0.00 C ATOM 751 O ALA A 48 1.712 0.808 -14.517 1.00 0.00 O ATOM 752 CB ALA A 48 1.032 0.819 -17.830 1.00 0.00 C ATOM 0 H ALA A 48 -0.113 -1.359 -17.691 1.00 0.00 H new ATOM 0 HA ALA A 48 2.322 -0.382 -16.631 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.597 1.735 -17.658 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.365 0.356 -18.759 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.030 1.056 -17.902 1.00 0.00 H new ATOM 758 N GLN A 49 -0.438 0.670 -15.163 1.00 0.00 N ATOM 759 CA GLN A 49 -0.971 1.242 -13.935 1.00 0.00 C ATOM 760 C GLN A 49 -0.685 0.314 -12.762 1.00 0.00 C ATOM 761 O GLN A 49 -0.375 0.766 -11.665 1.00 0.00 O ATOM 762 CB GLN A 49 -2.482 1.445 -14.070 1.00 0.00 C ATOM 763 CG GLN A 49 -2.903 2.182 -15.334 1.00 0.00 C ATOM 764 CD GLN A 49 -2.582 3.665 -15.298 1.00 0.00 C ATOM 765 OE1 GLN A 49 -1.626 4.098 -14.658 1.00 0.00 O ATOM 766 NE2 GLN A 49 -3.378 4.449 -15.999 1.00 0.00 N ATOM 0 H GLN A 49 -1.148 0.416 -15.849 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.492 2.204 -13.756 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.971 0.471 -14.051 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.842 1.999 -13.203 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.406 1.730 -16.192 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.975 2.053 -15.482 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.161 4.049 -16.517 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.211 5.455 -16.024 1.00 0.00 H new ATOM 775 N LEU A 50 -0.782 -0.989 -13.011 1.00 0.00 N ATOM 776 CA LEU A 50 -0.512 -1.991 -11.992 1.00 0.00 C ATOM 777 C LEU A 50 0.917 -1.868 -11.477 1.00 0.00 C ATOM 778 O LEU A 50 1.155 -1.909 -10.271 1.00 0.00 O ATOM 779 CB LEU A 50 -0.752 -3.388 -12.562 1.00 0.00 C ATOM 780 CG LEU A 50 -2.201 -3.692 -12.949 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.316 -5.098 -13.513 1.00 0.00 C ATOM 782 CD2 LEU A 50 -3.125 -3.522 -11.752 1.00 0.00 C ATOM 0 H LEU A 50 -1.048 -1.375 -13.917 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.189 -1.826 -11.154 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.123 -3.517 -13.442 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.427 -4.124 -11.827 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.505 -2.983 -13.719 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.353 -5.298 -13.783 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.687 -5.187 -14.398 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.991 -5.819 -12.763 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.150 -3.743 -12.049 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.822 -4.205 -10.959 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.066 -2.496 -11.389 1.00 0.00 H new ATOM 794 N ALA A 51 1.863 -1.708 -12.398 1.00 0.00 N ATOM 795 CA ALA A 51 3.261 -1.530 -12.031 1.00 0.00 C ATOM 796 C ALA A 51 3.449 -0.225 -11.263 1.00 0.00 C ATOM 797 O ALA A 51 4.141 -0.186 -10.247 1.00 0.00 O ATOM 798 CB ALA A 51 4.141 -1.548 -13.271 1.00 0.00 C ATOM 0 H ALA A 51 1.685 -1.698 -13.402 1.00 0.00 H new ATOM 0 HA ALA A 51 3.557 -2.356 -11.385 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.183 -1.414 -12.980 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.028 -2.503 -13.784 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.844 -0.740 -13.940 1.00 0.00 H new ATOM 804 N SER A 52 2.817 0.835 -11.757 1.00 0.00 N ATOM 805 CA SER A 52 2.867 2.143 -11.117 1.00 0.00 C ATOM 806 C SER A 52 2.331 2.078 -9.686 1.00 0.00 C ATOM 807 O SER A 52 2.980 2.542 -8.749 1.00 0.00 O ATOM 808 CB SER A 52 2.051 3.141 -11.952 1.00 0.00 C ATOM 809 OG SER A 52 2.657 3.362 -13.216 1.00 0.00 O ATOM 0 H SER A 52 2.258 0.811 -12.610 1.00 0.00 H new ATOM 0 HA SER A 52 3.905 2.472 -11.063 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.039 2.762 -12.091 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.966 4.086 -11.415 1.00 0.00 H new ATOM 0 HG SER A 52 2.446 2.615 -13.815 1.00 0.00 H new ATOM 815 N ILE A 53 1.161 1.475 -9.520 1.00 0.00 N ATOM 816 CA ILE A 53 0.529 1.359 -8.213 1.00 0.00 C ATOM 817 C ILE A 53 1.343 0.466 -7.285 1.00 0.00 C ATOM 818 O ILE A 53 1.515 0.785 -6.111 1.00 0.00 O ATOM 819 CB ILE A 53 -0.913 0.820 -8.346 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.786 1.856 -9.059 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.494 0.467 -6.982 1.00 0.00 C ATOM 822 CD1 ILE A 53 -3.179 1.370 -9.379 1.00 0.00 C ATOM 0 H ILE A 53 0.627 1.056 -10.281 1.00 0.00 H new ATOM 0 HA ILE A 53 0.488 2.357 -7.776 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.892 -0.094 -8.939 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.858 2.747 -8.435 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.295 2.154 -9.985 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.509 0.090 -7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.878 -0.299 -6.511 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.511 1.357 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.734 2.161 -9.883 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.119 0.498 -10.030 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.691 1.099 -8.456 1.00 0.00 H new ATOM 834 N TRP A 54 1.857 -0.639 -7.812 1.00 0.00 N ATOM 835 CA TRP A 54 2.685 -1.539 -7.020 1.00 0.00 C ATOM 836 C TRP A 54 3.931 -0.816 -6.527 1.00 0.00 C ATOM 837 O TRP A 54 4.278 -0.886 -5.347 1.00 0.00 O ATOM 838 CB TRP A 54 3.102 -2.760 -7.834 1.00 0.00 C ATOM 839 CG TRP A 54 3.938 -3.719 -7.041 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.298 -3.703 -6.895 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.464 -4.825 -6.268 1.00 0.00 C ATOM 842 NE1 TRP A 54 5.694 -4.734 -6.076 1.00 0.00 N ATOM 843 CE2 TRP A 54 4.586 -5.436 -5.679 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.197 -5.357 -6.016 1.00 0.00 C ATOM 845 CZ2 TRP A 54 4.478 -6.551 -4.853 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.092 -6.463 -5.196 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.226 -7.050 -4.624 1.00 0.00 C ATOM 0 H TRP A 54 1.716 -0.932 -8.779 1.00 0.00 H new ATOM 0 HA TRP A 54 2.092 -1.870 -6.167 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.211 -3.273 -8.196 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.661 -2.434 -8.711 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.962 -2.987 -7.355 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.656 -4.942 -5.808 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.316 -4.912 -6.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.351 -7.005 -4.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.118 -6.882 -4.993 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.110 -7.915 -3.988 1.00 0.00 H new ATOM 858 N ASN A 55 4.591 -0.127 -7.446 1.00 0.00 N ATOM 859 CA ASN A 55 5.814 0.603 -7.143 1.00 0.00 C ATOM 860 C ASN A 55 5.557 1.650 -6.060 1.00 0.00 C ATOM 861 O ASN A 55 6.400 1.892 -5.197 1.00 0.00 O ATOM 862 CB ASN A 55 6.344 1.276 -8.416 1.00 0.00 C ATOM 863 CG ASN A 55 7.735 1.856 -8.252 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.560 1.203 -7.451 1.00 0.00 O flip ATOM 865 ND2 ASN A 55 8.073 2.873 -8.859 1.00 0.00 N flip ATOM 0 H ASN A 55 4.296 -0.058 -8.420 1.00 0.00 H new ATOM 0 HA ASN A 55 6.561 -0.099 -6.772 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.355 0.547 -9.227 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.659 2.071 -8.711 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.407 3.348 -9.468 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.019 3.240 -8.753 1.00 0.00 H new ATOM 872 N LEU A 56 4.382 2.264 -6.123 1.00 0.00 N ATOM 873 CA LEU A 56 3.961 3.255 -5.139 1.00 0.00 C ATOM 874 C LEU A 56 3.571 2.605 -3.809 1.00 0.00 C ATOM 875 O LEU A 56 3.708 3.212 -2.748 1.00 0.00 O ATOM 876 CB LEU A 56 2.772 4.055 -5.685 1.00 0.00 C ATOM 877 CG LEU A 56 3.100 5.026 -6.822 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.828 5.687 -7.335 1.00 0.00 C ATOM 879 CD2 LEU A 56 4.098 6.077 -6.357 1.00 0.00 C ATOM 0 H LEU A 56 3.695 2.090 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 56 4.806 3.919 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.015 3.354 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.328 4.619 -4.865 1.00 0.00 H new ATOM 0 HG LEU A 56 3.552 4.463 -7.639 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.076 6.375 -8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.145 4.923 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.351 6.237 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.319 6.758 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.674 6.638 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.017 5.588 -6.034 1.00 0.00 H new ATOM 891 N SER A 57 3.092 1.370 -3.879 1.00 0.00 N ATOM 892 CA SER A 57 2.523 0.698 -2.719 1.00 0.00 C ATOM 893 C SER A 57 3.600 0.064 -1.837 1.00 0.00 C ATOM 894 O SER A 57 3.588 0.245 -0.617 1.00 0.00 O ATOM 895 CB SER A 57 1.520 -0.363 -3.179 1.00 0.00 C ATOM 896 OG SER A 57 0.825 -0.929 -2.083 1.00 0.00 O ATOM 0 H SER A 57 3.087 0.811 -4.732 1.00 0.00 H new ATOM 0 HA SER A 57 2.013 1.448 -2.115 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.807 0.085 -3.871 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.044 -1.148 -3.724 1.00 0.00 H new ATOM 0 HG SER A 57 0.086 -0.340 -1.825 1.00 0.00 H new ATOM 902 N ASP A 58 4.517 -0.685 -2.440 1.00 0.00 N ATOM 903 CA ASP A 58 5.550 -1.368 -1.669 1.00 0.00 C ATOM 904 C ASP A 58 6.653 -0.385 -1.303 1.00 0.00 C ATOM 905 O ASP A 58 7.472 -0.003 -2.142 1.00 0.00 O ATOM 906 CB ASP A 58 6.131 -2.561 -2.439 1.00 0.00 C ATOM 907 CG ASP A 58 6.973 -3.479 -1.561 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.517 -3.013 -0.534 1.00 0.00 O ATOM 909 OD2 ASP A 58 7.109 -4.671 -1.902 1.00 0.00 O ATOM 0 H ASP A 58 4.567 -0.834 -3.448 1.00 0.00 H new ATOM 0 HA ASP A 58 5.094 -1.756 -0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.316 -3.135 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.743 -2.193 -3.263 1.00 0.00 H new ATOM 914 N ILE A 59 6.655 0.025 -0.045 1.00 0.00 N ATOM 915 CA ILE A 59 7.590 1.031 0.442 1.00 0.00 C ATOM 916 C ILE A 59 9.015 0.475 0.519 1.00 0.00 C ATOM 917 O ILE A 59 9.997 1.223 0.460 1.00 0.00 O ATOM 918 CB ILE A 59 7.160 1.546 1.838 1.00 0.00 C ATOM 919 CG1 ILE A 59 5.690 1.990 1.818 1.00 0.00 C ATOM 920 CG2 ILE A 59 8.050 2.697 2.291 1.00 0.00 C ATOM 921 CD1 ILE A 59 5.393 3.108 0.838 1.00 0.00 C ATOM 0 H ILE A 59 6.013 -0.327 0.665 1.00 0.00 H new ATOM 0 HA ILE A 59 7.577 1.859 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 59 7.270 0.727 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.066 1.131 1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.406 2.314 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.728 3.041 3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.084 2.357 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.975 3.517 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.334 3.362 0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.988 3.984 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.643 2.783 -0.172 1.00 0.00 H new ATOM 933 N ASP A 60 9.130 -0.840 0.619 1.00 0.00 N ATOM 934 CA ASP A 60 10.428 -1.481 0.817 1.00 0.00 C ATOM 935 C ASP A 60 10.860 -2.226 -0.446 1.00 0.00 C ATOM 936 O ASP A 60 11.907 -2.877 -0.465 1.00 0.00 O ATOM 937 CB ASP A 60 10.351 -2.434 2.018 1.00 0.00 C ATOM 938 CG ASP A 60 11.697 -3.002 2.434 1.00 0.00 C ATOM 939 OD1 ASP A 60 12.686 -2.236 2.493 1.00 0.00 O ATOM 940 OD2 ASP A 60 11.771 -4.219 2.713 1.00 0.00 O ATOM 0 H ASP A 60 8.343 -1.487 0.567 1.00 0.00 H new ATOM 0 HA ASP A 60 11.177 -0.716 1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.913 -1.904 2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.679 -3.257 1.775 1.00 0.00 H new ATOM 945 N GLN A 61 10.041 -2.098 -1.506 1.00 0.00 N ATOM 946 CA GLN A 61 10.246 -2.781 -2.793 1.00 0.00 C ATOM 947 C GLN A 61 10.649 -4.239 -2.590 1.00 0.00 C ATOM 948 O GLN A 61 11.491 -4.780 -3.311 1.00 0.00 O ATOM 949 CB GLN A 61 11.255 -2.048 -3.691 1.00 0.00 C ATOM 950 CG GLN A 61 12.570 -1.738 -3.023 1.00 0.00 C ATOM 951 CD GLN A 61 13.642 -1.311 -3.999 1.00 0.00 C ATOM 952 OE1 GLN A 61 13.787 -0.127 -4.299 1.00 0.00 O ATOM 953 NE2 GLN A 61 14.400 -2.272 -4.504 1.00 0.00 N ATOM 0 H GLN A 61 9.208 -1.509 -1.491 1.00 0.00 H new ATOM 0 HA GLN A 61 9.288 -2.764 -3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.445 -2.656 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.807 -1.116 -4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.420 -0.947 -2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.911 -2.619 -2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.246 -3.242 -4.228 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.138 -2.043 -5.169 1.00 0.00 H new ATOM 962 N ASP A 62 10.005 -4.871 -1.622 1.00 0.00 N ATOM 963 CA ASP A 62 10.353 -6.224 -1.214 1.00 0.00 C ATOM 964 C ASP A 62 9.600 -7.254 -2.036 1.00 0.00 C ATOM 965 O ASP A 62 10.166 -8.264 -2.465 1.00 0.00 O ATOM 966 CB ASP A 62 10.028 -6.415 0.270 1.00 0.00 C ATOM 967 CG ASP A 62 10.372 -7.801 0.778 1.00 0.00 C ATOM 968 OD1 ASP A 62 9.582 -8.737 0.558 1.00 0.00 O ATOM 969 OD2 ASP A 62 11.418 -7.951 1.439 1.00 0.00 O ATOM 0 H ASP A 62 9.230 -4.464 -1.099 1.00 0.00 H new ATOM 0 HA ASP A 62 11.421 -6.366 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.574 -5.674 0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.966 -6.228 0.431 1.00 0.00 H new ATOM 974 N GLY A 63 8.335 -6.978 -2.282 1.00 0.00 N ATOM 975 CA GLY A 63 7.482 -7.947 -2.921 1.00 0.00 C ATOM 976 C GLY A 63 6.474 -8.509 -1.949 1.00 0.00 C ATOM 977 O GLY A 63 6.102 -9.677 -2.033 1.00 0.00 O ATOM 0 H GLY A 63 7.881 -6.095 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.963 -7.482 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.088 -8.756 -3.330 1.00 0.00 H new ATOM 981 N LYS A 64 6.049 -7.678 -1.006 1.00 0.00 N ATOM 982 CA LYS A 64 5.039 -8.068 -0.036 1.00 0.00 C ATOM 983 C LYS A 64 4.047 -6.941 0.185 1.00 0.00 C ATOM 984 O LYS A 64 4.426 -5.777 0.259 1.00 0.00 O ATOM 985 CB LYS A 64 5.655 -8.423 1.318 1.00 0.00 C ATOM 986 CG LYS A 64 6.520 -9.673 1.329 1.00 0.00 C ATOM 987 CD LYS A 64 6.986 -10.016 2.743 1.00 0.00 C ATOM 988 CE LYS A 64 8.208 -9.209 3.183 1.00 0.00 C ATOM 989 NZ LYS A 64 7.997 -7.738 3.095 1.00 0.00 N ATOM 0 H LYS A 64 6.392 -6.724 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 64 4.539 -8.945 -0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.258 -7.581 1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.851 -8.551 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.957 -10.510 0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.387 -9.523 0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.169 -9.837 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.222 -11.079 2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.460 -9.473 4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.061 -9.486 2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.730 -7.248 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.054 -7.438 2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.059 -7.498 3.476 1.00 0.00 H new ATOM 1003 N LEU A 65 2.786 -7.307 0.298 1.00 0.00 N ATOM 1004 CA LEU A 65 1.746 -6.372 0.676 1.00 0.00 C ATOM 1005 C LEU A 65 1.004 -6.899 1.891 1.00 0.00 C ATOM 1006 O LEU A 65 0.249 -7.868 1.799 1.00 0.00 O ATOM 1007 CB LEU A 65 0.761 -6.126 -0.474 1.00 0.00 C ATOM 1008 CG LEU A 65 1.285 -5.256 -1.622 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.159 -4.906 -2.582 1.00 0.00 C ATOM 1010 CD2 LEU A 65 1.935 -3.990 -1.084 1.00 0.00 C ATOM 0 H LEU A 65 2.454 -8.257 0.131 1.00 0.00 H new ATOM 0 HA LEU A 65 2.219 -5.420 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.459 -7.091 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.135 -5.657 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 65 2.039 -5.826 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.549 -4.288 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.264 -5.821 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.617 -4.357 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.300 -3.387 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.202 -3.418 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.769 -4.257 -0.435 1.00 0.00 H new ATOM 1022 N THR A 66 1.262 -6.297 3.039 1.00 0.00 N ATOM 1023 CA THR A 66 0.523 -6.624 4.245 1.00 0.00 C ATOM 1024 C THR A 66 -0.824 -5.914 4.223 1.00 0.00 C ATOM 1025 O THR A 66 -1.189 -5.307 3.216 1.00 0.00 O ATOM 1026 CB THR A 66 1.300 -6.230 5.516 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.636 -4.837 5.479 1.00 0.00 O ATOM 1028 CG2 THR A 66 2.567 -7.057 5.662 1.00 0.00 C ATOM 0 H THR A 66 1.977 -5.580 3.161 1.00 0.00 H new ATOM 0 HA THR A 66 0.376 -7.704 4.268 1.00 0.00 H new ATOM 0 HB THR A 66 0.658 -6.426 6.375 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.507 -4.722 5.045 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.095 -6.757 6.567 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.306 -8.113 5.727 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.210 -6.894 4.797 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.554 -5.971 5.328 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.877 -5.366 5.397 1.00 0.00 C ATOM 1038 C ALA A 67 -2.820 -3.878 5.079 1.00 0.00 C ATOM 1039 O ALA A 67 -3.530 -3.395 4.200 1.00 0.00 O ATOM 1040 CB ALA A 67 -3.496 -5.599 6.768 1.00 0.00 C ATOM 0 H ALA A 67 -1.253 -6.429 6.188 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.506 -5.843 4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.484 -5.141 6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.586 -6.670 6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.862 -5.153 7.534 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.948 -3.167 5.775 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.833 -1.721 5.622 1.00 0.00 C ATOM 1048 C GLU A 68 -1.303 -1.341 4.242 1.00 0.00 C ATOM 1049 O GLU A 68 -1.703 -0.324 3.674 1.00 0.00 O ATOM 1050 CB GLU A 68 -0.917 -1.168 6.711 1.00 0.00 C ATOM 1051 CG GLU A 68 -1.442 -1.427 8.114 1.00 0.00 C ATOM 1052 CD GLU A 68 -0.354 -1.388 9.163 1.00 0.00 C ATOM 1053 OE1 GLU A 68 0.254 -2.450 9.425 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -0.108 -0.306 9.732 1.00 0.00 O ATOM 0 H GLU A 68 -1.304 -3.569 6.457 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.827 -1.286 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.071 -1.617 6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.796 -0.094 6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.201 -0.683 8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.931 -2.401 8.140 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.417 -2.166 3.698 1.00 0.00 N ATOM 1062 CA GLU A 69 0.206 -1.871 2.416 1.00 0.00 C ATOM 1063 C GLU A 69 -0.785 -2.115 1.284 1.00 0.00 C ATOM 1064 O GLU A 69 -0.870 -1.340 0.333 1.00 0.00 O ATOM 1065 CB GLU A 69 1.464 -2.727 2.229 1.00 0.00 C ATOM 1066 CG GLU A 69 2.550 -2.450 3.262 1.00 0.00 C ATOM 1067 CD GLU A 69 3.672 -3.473 3.227 1.00 0.00 C ATOM 1068 OE1 GLU A 69 3.412 -4.651 3.561 1.00 0.00 O ATOM 1069 OE2 GLU A 69 4.817 -3.101 2.891 1.00 0.00 O ATOM 0 H GLU A 69 -0.115 -3.042 4.124 1.00 0.00 H new ATOM 0 HA GLU A 69 0.500 -0.821 2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.187 -3.780 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.869 -2.550 1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.965 -1.457 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.105 -2.440 4.257 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.549 -3.191 1.414 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.522 -3.575 0.403 1.00 0.00 C ATOM 1078 C PHE A 70 -3.663 -2.554 0.330 1.00 0.00 C ATOM 1079 O PHE A 70 -4.162 -2.252 -0.758 1.00 0.00 O ATOM 1080 CB PHE A 70 -3.062 -4.976 0.713 1.00 0.00 C ATOM 1081 CG PHE A 70 -3.900 -5.570 -0.381 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -5.214 -5.184 -0.542 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -3.374 -6.523 -1.241 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -5.991 -5.730 -1.535 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -4.153 -7.081 -2.238 1.00 0.00 C ATOM 1086 CZ PHE A 70 -5.465 -6.683 -2.385 1.00 0.00 C ATOM 0 H PHE A 70 -1.512 -3.818 2.218 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.032 -3.594 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.222 -5.641 0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.656 -4.930 1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.638 -4.444 0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.345 -6.832 -1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.017 -5.413 -1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.735 -7.826 -2.899 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.079 -7.115 -3.162 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.068 -2.025 1.487 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.102 -0.990 1.542 1.00 0.00 C ATOM 1098 C ILE A 71 -4.710 0.199 0.668 1.00 0.00 C ATOM 1099 O ILE A 71 -5.526 0.728 -0.092 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.346 -0.502 2.991 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -5.918 -1.632 3.850 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.284 0.699 3.010 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.088 -1.255 5.306 1.00 0.00 C ATOM 0 H ILE A 71 -3.696 -2.296 2.397 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.025 -1.433 1.169 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.387 -0.196 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.884 -1.932 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.261 -2.499 3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.440 1.023 4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.843 1.514 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.241 0.420 2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.497 -2.102 5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.120 -0.983 5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.769 -0.408 5.385 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.450 0.595 0.775 1.00 0.00 N ATOM 1116 CA LEU A 72 -2.915 1.679 -0.030 1.00 0.00 C ATOM 1117 C LEU A 72 -3.011 1.334 -1.517 1.00 0.00 C ATOM 1118 O LEU A 72 -3.480 2.139 -2.325 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.457 1.946 0.361 1.00 0.00 C ATOM 1120 CG LEU A 72 -0.778 3.096 -0.389 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.484 4.415 -0.104 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.691 3.182 -0.006 1.00 0.00 C ATOM 0 H LEU A 72 -2.776 0.177 1.417 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.502 2.579 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.418 2.158 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.881 1.036 0.195 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.846 2.898 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.986 5.219 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.523 4.349 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.449 4.623 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.160 4.004 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.778 3.357 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.189 2.247 -0.263 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.591 0.119 -1.858 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.575 -0.343 -3.241 1.00 0.00 C ATOM 1136 C ALA A 73 -3.962 -0.309 -3.875 1.00 0.00 C ATOM 1137 O ALA A 73 -4.151 0.298 -4.929 1.00 0.00 O ATOM 1138 CB ALA A 73 -2.007 -1.749 -3.314 1.00 0.00 C ATOM 0 H ALA A 73 -2.254 -0.570 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.940 0.340 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.999 -2.085 -4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.989 -1.751 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.624 -2.422 -2.719 1.00 0.00 H new ATOM 1144 N MET A 74 -4.939 -0.947 -3.235 1.00 0.00 N ATOM 1145 CA MET A 74 -6.283 -1.011 -3.804 1.00 0.00 C ATOM 1146 C MET A 74 -6.952 0.352 -3.818 1.00 0.00 C ATOM 1147 O MET A 74 -7.842 0.602 -4.628 1.00 0.00 O ATOM 1148 CB MET A 74 -7.172 -2.016 -3.076 1.00 0.00 C ATOM 1149 CG MET A 74 -7.047 -3.434 -3.605 1.00 0.00 C ATOM 1150 SD MET A 74 -8.443 -4.478 -3.132 1.00 0.00 S ATOM 1151 CE MET A 74 -9.777 -3.700 -4.040 1.00 0.00 C ATOM 0 H MET A 74 -4.829 -1.419 -2.338 1.00 0.00 H new ATOM 0 HA MET A 74 -6.159 -1.351 -4.832 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.920 -2.009 -2.015 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.211 -1.696 -3.159 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.970 -3.407 -4.692 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.124 -3.877 -3.231 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.497 -3.278 -3.339 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.374 -2.906 -4.669 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.273 -4.442 -4.666 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.538 1.245 -2.933 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.095 2.584 -2.952 1.00 0.00 C ATOM 1163 C HIS A 75 -6.547 3.354 -4.146 1.00 0.00 C ATOM 1164 O HIS A 75 -7.248 4.175 -4.734 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.827 3.341 -1.655 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.635 4.600 -1.558 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -9.012 4.611 -1.634 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -7.258 5.894 -1.427 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -9.444 5.854 -1.555 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -8.403 6.655 -1.430 1.00 0.00 N ATOM 0 H HIS A 75 -5.838 1.073 -2.212 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.177 2.491 -3.045 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.057 2.697 -0.806 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.767 3.586 -1.591 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.246 6.260 -1.337 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.478 6.165 -1.587 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.441 7.671 -1.349 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.294 3.088 -4.498 1.00 0.00 N ATOM 1180 CA LEU A 76 -4.711 3.650 -5.710 1.00 0.00 C ATOM 1181 C LEU A 76 -5.427 3.085 -6.933 1.00 0.00 C ATOM 1182 O LEU A 76 -5.632 3.782 -7.928 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.210 3.349 -5.782 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.360 3.980 -4.675 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -0.907 3.554 -4.810 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.471 5.496 -4.716 1.00 0.00 C ATOM 0 H LEU A 76 -4.665 2.489 -3.963 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.836 4.733 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.071 2.268 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.834 3.692 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.736 3.630 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.318 4.012 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.837 2.469 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.522 3.875 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.861 5.927 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.121 5.860 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.511 5.789 -4.573 1.00 0.00 H new ATOM 1198 N ILE A 77 -5.818 1.814 -6.833 1.00 0.00 N ATOM 1199 CA ILE A 77 -6.643 1.170 -7.851 1.00 0.00 C ATOM 1200 C ILE A 77 -7.936 1.958 -8.047 1.00 0.00 C ATOM 1201 O ILE A 77 -8.304 2.299 -9.168 1.00 0.00 O ATOM 1202 CB ILE A 77 -6.999 -0.289 -7.457 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.736 -1.147 -7.294 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -7.935 -0.913 -8.486 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -4.996 -1.416 -8.588 1.00 0.00 C ATOM 0 H ILE A 77 -5.573 1.208 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.068 1.150 -8.777 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.511 -0.256 -6.495 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.060 -0.650 -6.599 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.013 -2.100 -6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.171 -1.935 -8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.854 -0.330 -8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.450 -0.921 -9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.117 -2.028 -8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.653 -1.943 -9.280 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.685 -0.471 -9.032 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.603 2.259 -6.934 1.00 0.00 N ATOM 1218 CA ASP A 78 -9.862 3.011 -6.940 1.00 0.00 C ATOM 1219 C ASP A 78 -9.685 4.376 -7.603 1.00 0.00 C ATOM 1220 O ASP A 78 -10.553 4.831 -8.351 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.368 3.186 -5.505 1.00 0.00 C ATOM 1222 CG ASP A 78 -11.687 3.928 -5.423 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.751 3.277 -5.518 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -11.670 5.164 -5.234 1.00 0.00 O ATOM 0 H ASP A 78 -8.288 1.990 -6.002 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.595 2.448 -7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.481 2.205 -5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.619 3.725 -4.926 1.00 0.00 H new ATOM 1229 N VAL A 79 -8.550 5.015 -7.333 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.236 6.310 -7.930 1.00 0.00 C ATOM 1231 C VAL A 79 -8.112 6.188 -9.447 1.00 0.00 C ATOM 1232 O VAL A 79 -8.699 6.973 -10.197 1.00 0.00 O ATOM 1233 CB VAL A 79 -6.930 6.903 -7.353 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -6.598 8.236 -8.009 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -7.040 7.067 -5.846 1.00 0.00 C ATOM 0 H VAL A 79 -7.832 4.657 -6.704 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.057 6.984 -7.686 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.119 6.207 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.675 8.631 -7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.471 8.092 -9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.410 8.941 -7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.112 7.486 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.867 7.738 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.221 6.095 -5.386 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.365 5.187 -9.895 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.184 4.945 -11.322 1.00 0.00 C ATOM 1247 C ALA A 80 -8.493 4.495 -11.965 1.00 0.00 C ATOM 1248 O ALA A 80 -8.742 4.760 -13.139 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.090 3.915 -11.554 1.00 0.00 C ATOM 0 H ALA A 80 -6.874 4.528 -9.291 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.880 5.881 -11.791 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.969 3.747 -12.624 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.152 4.280 -11.136 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.363 2.978 -11.069 1.00 0.00 H new ATOM 1255 N MET A 81 -9.331 3.821 -11.182 1.00 0.00 N ATOM 1256 CA MET A 81 -10.665 3.428 -11.632 1.00 0.00 C ATOM 1257 C MET A 81 -11.496 4.652 -11.996 1.00 0.00 C ATOM 1258 O MET A 81 -12.353 4.595 -12.877 1.00 0.00 O ATOM 1259 CB MET A 81 -11.391 2.632 -10.546 1.00 0.00 C ATOM 1260 CG MET A 81 -10.894 1.207 -10.368 1.00 0.00 C ATOM 1261 SD MET A 81 -11.180 0.171 -11.816 1.00 0.00 S ATOM 1262 CE MET A 81 -10.711 -1.436 -11.176 1.00 0.00 C ATOM 0 H MET A 81 -9.109 3.534 -10.229 1.00 0.00 H new ATOM 0 HA MET A 81 -10.543 2.802 -12.516 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.289 3.160 -9.598 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.455 2.605 -10.783 1.00 0.00 H new ATOM 0 HG2 MET A 81 -9.827 1.226 -10.147 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.390 0.761 -9.506 1.00 0.00 H new ATOM 0 HE1 MET A 81 -11.313 -2.208 -11.655 1.00 0.00 H new ATOM 0 HE2 MET A 81 -9.656 -1.617 -11.384 1.00 0.00 H new ATOM 0 HE3 MET A 81 -10.878 -1.462 -10.099 1.00 0.00 H new ATOM 1272 N SER A 82 -11.223 5.763 -11.322 1.00 0.00 N ATOM 1273 CA SER A 82 -11.947 7.005 -11.557 1.00 0.00 C ATOM 1274 C SER A 82 -11.399 7.724 -12.794 1.00 0.00 C ATOM 1275 O SER A 82 -11.875 8.801 -13.158 1.00 0.00 O ATOM 1276 CB SER A 82 -11.845 7.912 -10.322 1.00 0.00 C ATOM 1277 OG SER A 82 -12.563 9.126 -10.500 1.00 0.00 O ATOM 0 H SER A 82 -10.501 5.828 -10.604 1.00 0.00 H new ATOM 0 HA SER A 82 -12.996 6.769 -11.737 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.232 7.385 -9.450 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.797 8.135 -10.120 1.00 0.00 H new ATOM 0 HG SER A 82 -12.532 9.389 -11.443 1.00 0.00 H new ATOM 1283 N GLY A 83 -10.396 7.124 -13.431 1.00 0.00 N ATOM 1284 CA GLY A 83 -9.816 7.708 -14.625 1.00 0.00 C ATOM 1285 C GLY A 83 -8.846 8.825 -14.301 1.00 0.00 C ATOM 1286 O GLY A 83 -8.564 9.676 -15.145 1.00 0.00 O ATOM 0 H GLY A 83 -9.975 6.242 -13.139 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.300 6.934 -15.192 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.612 8.093 -15.263 1.00 0.00 H new ATOM 1290 N GLN A 84 -8.335 8.825 -13.082 1.00 0.00 N ATOM 1291 CA GLN A 84 -7.411 9.854 -12.649 1.00 0.00 C ATOM 1292 C GLN A 84 -5.973 9.409 -12.877 1.00 0.00 C ATOM 1293 O GLN A 84 -5.658 8.223 -12.754 1.00 0.00 O ATOM 1294 CB GLN A 84 -7.639 10.167 -11.171 1.00 0.00 C ATOM 1295 CG GLN A 84 -9.038 10.669 -10.866 1.00 0.00 C ATOM 1296 CD GLN A 84 -9.410 11.889 -11.685 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -9.955 11.774 -12.780 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -9.106 13.067 -11.167 1.00 0.00 N ATOM 0 H GLN A 84 -8.546 8.121 -12.374 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.589 10.755 -13.235 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.448 9.268 -10.584 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.915 10.916 -10.851 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.756 9.873 -11.060 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.110 10.912 -9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.654 13.121 -10.254 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.324 13.921 -11.680 1.00 0.00 H new ATOM 1307 N PRO A 85 -5.087 10.349 -13.239 1.00 0.00 N ATOM 1308 CA PRO A 85 -3.666 10.065 -13.449 1.00 0.00 C ATOM 1309 C PRO A 85 -2.943 9.803 -12.134 1.00 0.00 C ATOM 1310 O PRO A 85 -3.130 10.530 -11.154 1.00 0.00 O ATOM 1311 CB PRO A 85 -3.122 11.342 -14.111 1.00 0.00 C ATOM 1312 CG PRO A 85 -4.324 12.159 -14.459 1.00 0.00 C ATOM 1313 CD PRO A 85 -5.396 11.759 -13.490 1.00 0.00 C ATOM 0 HA PRO A 85 -3.517 9.170 -14.054 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.463 11.884 -13.433 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -2.539 11.104 -15.001 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.107 13.224 -14.381 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.638 11.972 -15.486 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.358 12.352 -12.576 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.393 11.887 -13.912 1.00 0.00 H new ATOM 1321 N LEU A 86 -2.126 8.763 -12.116 1.00 0.00 N ATOM 1322 CA LEU A 86 -1.370 8.404 -10.927 1.00 0.00 C ATOM 1323 C LEU A 86 -0.145 9.299 -10.777 1.00 0.00 C ATOM 1324 O LEU A 86 0.441 9.738 -11.772 1.00 0.00 O ATOM 1325 CB LEU A 86 -0.948 6.934 -10.993 1.00 0.00 C ATOM 1326 CG LEU A 86 -2.101 5.931 -11.062 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -1.568 4.526 -11.286 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -2.939 5.987 -9.792 1.00 0.00 C ATOM 0 H LEU A 86 -1.969 8.150 -12.916 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.009 8.548 -10.056 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.312 6.793 -11.867 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.341 6.707 -10.117 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.739 6.198 -11.904 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.401 3.824 -11.333 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.012 4.493 -12.223 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.908 4.252 -10.463 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.754 5.266 -9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.314 5.746 -8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.351 6.989 -9.672 1.00 0.00 H new ATOM 1340 N PRO A 87 0.242 9.610 -9.531 1.00 0.00 N ATOM 1341 CA PRO A 87 1.416 10.429 -9.256 1.00 0.00 C ATOM 1342 C PRO A 87 2.704 9.609 -9.243 1.00 0.00 C ATOM 1343 O PRO A 87 2.683 8.410 -8.964 1.00 0.00 O ATOM 1344 CB PRO A 87 1.121 10.976 -7.861 1.00 0.00 C ATOM 1345 CG PRO A 87 0.325 9.902 -7.198 1.00 0.00 C ATOM 1346 CD PRO A 87 -0.443 9.195 -8.290 1.00 0.00 C ATOM 0 HA PRO A 87 1.576 11.195 -10.015 1.00 0.00 H new ATOM 0 HB2 PRO A 87 2.040 11.184 -7.314 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.562 11.910 -7.911 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.977 9.206 -6.671 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.355 10.325 -6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.416 8.113 -8.161 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.493 9.489 -8.295 1.00 0.00 H new ATOM 1354 N PRO A 88 3.844 10.246 -9.552 1.00 0.00 N ATOM 1355 CA PRO A 88 5.153 9.600 -9.472 1.00 0.00 C ATOM 1356 C PRO A 88 5.740 9.695 -8.067 1.00 0.00 C ATOM 1357 O PRO A 88 6.785 9.116 -7.769 1.00 0.00 O ATOM 1358 CB PRO A 88 5.981 10.414 -10.458 1.00 0.00 C ATOM 1359 CG PRO A 88 5.415 11.790 -10.368 1.00 0.00 C ATOM 1360 CD PRO A 88 3.948 11.632 -10.047 1.00 0.00 C ATOM 0 HA PRO A 88 5.119 8.534 -9.697 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.039 10.401 -10.195 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.899 10.016 -11.469 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.921 12.367 -9.594 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.551 12.327 -11.307 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.623 12.351 -9.295 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.326 11.790 -10.928 1.00 0.00 H new ATOM 1368 N VAL A 89 5.064 10.458 -7.221 1.00 0.00 N ATOM 1369 CA VAL A 89 5.444 10.612 -5.826 1.00 0.00 C ATOM 1370 C VAL A 89 4.201 10.441 -4.969 1.00 0.00 C ATOM 1371 O VAL A 89 3.094 10.726 -5.421 1.00 0.00 O ATOM 1372 CB VAL A 89 6.060 12.001 -5.536 1.00 0.00 C ATOM 1373 CG1 VAL A 89 6.749 12.022 -4.177 1.00 0.00 C ATOM 1374 CG2 VAL A 89 7.027 12.414 -6.631 1.00 0.00 C ATOM 0 H VAL A 89 4.234 10.989 -7.484 1.00 0.00 H new ATOM 0 HA VAL A 89 6.198 9.860 -5.596 1.00 0.00 H new ATOM 0 HB VAL A 89 5.244 12.724 -5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.173 13.010 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.023 11.793 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.545 11.278 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.443 13.394 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.834 11.684 -6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.499 12.461 -7.584 1.00 0.00 H new ATOM 1384 N LEU A 90 4.372 9.972 -3.748 1.00 0.00 N ATOM 1385 CA LEU A 90 3.237 9.769 -2.865 1.00 0.00 C ATOM 1386 C LEU A 90 3.189 10.877 -1.817 1.00 0.00 C ATOM 1387 O LEU A 90 4.227 11.300 -1.303 1.00 0.00 O ATOM 1388 CB LEU A 90 3.351 8.396 -2.185 1.00 0.00 C ATOM 1389 CG LEU A 90 2.109 7.926 -1.423 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.979 7.591 -2.387 1.00 0.00 C ATOM 1391 CD2 LEU A 90 2.443 6.725 -0.552 1.00 0.00 C ATOM 0 H LEU A 90 5.277 9.726 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 90 2.316 9.800 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.590 7.653 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.191 8.424 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 90 1.775 8.739 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.107 7.259 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.721 8.477 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.299 6.797 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.549 6.404 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.803 5.910 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.216 7.000 0.166 1.00 0.00 H new ATOM 1403 N PRO A 91 1.987 11.371 -1.491 1.00 0.00 N ATOM 1404 CA PRO A 91 1.802 12.344 -0.415 1.00 0.00 C ATOM 1405 C PRO A 91 1.928 11.695 0.960 1.00 0.00 C ATOM 1406 O PRO A 91 1.677 10.497 1.109 1.00 0.00 O ATOM 1407 CB PRO A 91 0.372 12.866 -0.628 1.00 0.00 C ATOM 1408 CG PRO A 91 -0.056 12.344 -1.960 1.00 0.00 C ATOM 1409 CD PRO A 91 0.727 11.086 -2.185 1.00 0.00 C ATOM 0 HA PRO A 91 2.557 13.130 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.294 12.517 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.346 13.956 -0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.127 12.144 -1.974 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.143 13.072 -2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 91 0.223 10.214 -1.769 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.883 10.889 -3.246 1.00 0.00 H new ATOM 1417 N PRO A 92 2.307 12.478 1.986 1.00 0.00 N ATOM 1418 CA PRO A 92 2.468 11.971 3.353 1.00 0.00 C ATOM 1419 C PRO A 92 1.147 11.490 3.947 1.00 0.00 C ATOM 1420 O PRO A 92 1.122 10.612 4.808 1.00 0.00 O ATOM 1421 CB PRO A 92 2.994 13.180 4.139 1.00 0.00 C ATOM 1422 CG PRO A 92 3.471 14.146 3.108 1.00 0.00 C ATOM 1423 CD PRO A 92 2.618 13.914 1.897 1.00 0.00 C ATOM 0 HA PRO A 92 3.134 11.109 3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.210 13.619 4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.803 12.891 4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.375 15.173 3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.525 13.984 2.880 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.716 14.525 1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.149 14.156 0.976 1.00 0.00 H new ATOM 1431 N GLU A 93 0.051 12.059 3.457 1.00 0.00 N ATOM 1432 CA GLU A 93 -1.287 11.721 3.936 1.00 0.00 C ATOM 1433 C GLU A 93 -1.664 10.283 3.582 1.00 0.00 C ATOM 1434 O GLU A 93 -2.627 9.737 4.113 1.00 0.00 O ATOM 1435 CB GLU A 93 -2.334 12.682 3.355 1.00 0.00 C ATOM 1436 CG GLU A 93 -2.213 14.122 3.841 1.00 0.00 C ATOM 1437 CD GLU A 93 -0.962 14.819 3.345 1.00 0.00 C ATOM 1438 OE1 GLU A 93 -0.845 15.037 2.120 1.00 0.00 O ATOM 1439 OE2 GLU A 93 -0.098 15.163 4.177 1.00 0.00 O ATOM 0 H GLU A 93 0.063 12.764 2.720 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.272 11.818 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.254 12.671 2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.328 12.310 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.088 14.684 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.218 14.132 4.931 1.00 0.00 H new ATOM 1446 N TYR A 94 -0.915 9.673 2.676 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.196 8.306 2.265 1.00 0.00 C ATOM 1448 C TYR A 94 -0.164 7.336 2.837 1.00 0.00 C ATOM 1449 O TYR A 94 -0.155 6.155 2.490 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.230 8.199 0.739 1.00 0.00 C ATOM 1451 CG TYR A 94 -2.487 8.767 0.116 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -3.618 7.979 -0.041 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -2.541 10.083 -0.316 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -4.771 8.488 -0.609 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -3.690 10.602 -0.885 1.00 0.00 C ATOM 1456 CZ TYR A 94 -4.802 9.799 -1.030 1.00 0.00 C ATOM 1457 OH TYR A 94 -5.953 10.312 -1.589 1.00 0.00 O ATOM 0 H TYR A 94 -0.112 10.100 2.214 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.175 8.035 2.659 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.365 8.719 0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.136 7.151 0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.597 6.950 0.286 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.671 10.714 -0.206 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.643 7.861 -0.722 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.716 11.630 -1.214 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.809 11.251 -1.831 1.00 0.00 H new ATOM 1467 N ILE A 95 0.688 7.832 3.723 1.00 0.00 N ATOM 1468 CA ILE A 95 1.719 7.006 4.336 1.00 0.00 C ATOM 1469 C ILE A 95 1.252 6.487 5.696 1.00 0.00 C ATOM 1470 O ILE A 95 1.009 7.267 6.619 1.00 0.00 O ATOM 1471 CB ILE A 95 3.043 7.784 4.504 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.525 8.308 3.146 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.107 6.898 5.140 1.00 0.00 C ATOM 1474 CD1 ILE A 95 4.788 9.143 3.225 1.00 0.00 C ATOM 0 H ILE A 95 0.686 8.803 4.034 1.00 0.00 H new ATOM 0 HA ILE A 95 1.899 6.162 3.670 1.00 0.00 H new ATOM 0 HB ILE A 95 2.865 8.634 5.163 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.701 7.462 2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.733 8.906 2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.033 7.463 5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.765 6.566 6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.285 6.030 4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.066 9.477 2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.612 10.010 3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.595 8.543 3.645 1.00 0.00 H new ATOM 1486 N PRO A 96 1.104 5.161 5.824 1.00 0.00 N ATOM 1487 CA PRO A 96 0.625 4.534 7.060 1.00 0.00 C ATOM 1488 C PRO A 96 1.594 4.718 8.228 1.00 0.00 C ATOM 1489 O PRO A 96 2.802 4.893 8.030 1.00 0.00 O ATOM 1490 CB PRO A 96 0.509 3.050 6.687 1.00 0.00 C ATOM 1491 CG PRO A 96 1.423 2.874 5.524 1.00 0.00 C ATOM 1492 CD PRO A 96 1.386 4.172 4.774 1.00 0.00 C ATOM 0 HA PRO A 96 -0.311 4.977 7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.801 2.410 7.519 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.516 2.787 6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.436 2.642 5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.097 2.048 4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.333 4.375 4.274 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.614 4.170 4.005 1.00 0.00 H new ATOM 1500 N PRO A 97 1.071 4.675 9.464 1.00 0.00 N ATOM 1501 CA PRO A 97 1.885 4.805 10.675 1.00 0.00 C ATOM 1502 C PRO A 97 2.935 3.704 10.780 1.00 0.00 C ATOM 1503 O PRO A 97 2.815 2.661 10.131 1.00 0.00 O ATOM 1504 CB PRO A 97 0.869 4.685 11.818 1.00 0.00 C ATOM 1505 CG PRO A 97 -0.449 4.993 11.196 1.00 0.00 C ATOM 1506 CD PRO A 97 -0.356 4.503 9.780 1.00 0.00 C ATOM 0 HA PRO A 97 2.443 5.741 10.688 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.877 3.684 12.250 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.098 5.382 12.624 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.259 4.496 11.730 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.656 6.063 11.227 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.666 3.462 9.692 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.991 5.083 9.110 1.00 0.00 H new ATOM 1514 N SER A 98 3.967 3.959 11.588 1.00 0.00 N ATOM 1515 CA SER A 98 5.079 3.022 11.789 1.00 0.00 C ATOM 1516 C SER A 98 5.986 2.962 10.554 1.00 0.00 C ATOM 1517 O SER A 98 7.203 3.119 10.661 1.00 0.00 O ATOM 1518 CB SER A 98 4.561 1.619 12.140 1.00 0.00 C ATOM 1519 OG SER A 98 3.579 1.673 13.165 1.00 0.00 O ATOM 0 H SER A 98 4.057 4.823 12.123 1.00 0.00 H new ATOM 0 HA SER A 98 5.670 3.391 12.627 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.136 1.153 11.251 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.392 0.992 12.463 1.00 0.00 H new ATOM 0 HG SER A 98 3.266 0.766 13.366 1.00 0.00 H new ATOM 1525 N PHE A 99 5.388 2.771 9.380 1.00 0.00 N ATOM 1526 CA PHE A 99 6.135 2.682 8.127 1.00 0.00 C ATOM 1527 C PHE A 99 6.682 4.045 7.709 1.00 0.00 C ATOM 1528 O PHE A 99 7.425 4.155 6.734 1.00 0.00 O ATOM 1529 CB PHE A 99 5.251 2.114 7.014 1.00 0.00 C ATOM 1530 CG PHE A 99 4.838 0.686 7.238 1.00 0.00 C ATOM 1531 CD1 PHE A 99 5.665 -0.353 6.843 1.00 0.00 C ATOM 1532 CD2 PHE A 99 3.628 0.384 7.840 1.00 0.00 C ATOM 1533 CE1 PHE A 99 5.291 -1.669 7.045 1.00 0.00 C ATOM 1534 CE2 PHE A 99 3.249 -0.929 8.046 1.00 0.00 C ATOM 1535 CZ PHE A 99 4.081 -1.958 7.647 1.00 0.00 C ATOM 0 H PHE A 99 4.379 2.674 9.270 1.00 0.00 H new ATOM 0 HA PHE A 99 6.977 2.010 8.293 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.357 2.731 6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.786 2.184 6.067 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.612 -0.133 6.372 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.973 1.184 8.152 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.944 -2.470 6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.303 -1.151 8.518 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.786 -2.985 7.805 1.00 0.00 H new ATOM 1545 N ARG A 100 6.304 5.082 8.452 1.00 0.00 N ATOM 1546 CA ARG A 100 6.816 6.428 8.214 1.00 0.00 C ATOM 1547 C ARG A 100 8.314 6.481 8.514 1.00 0.00 C ATOM 1548 O ARG A 100 9.036 7.337 8.004 1.00 0.00 O ATOM 1549 CB ARG A 100 6.067 7.452 9.074 1.00 0.00 C ATOM 1550 CG ARG A 100 4.560 7.458 8.847 1.00 0.00 C ATOM 1551 CD ARG A 100 3.874 8.560 9.640 1.00 0.00 C ATOM 1552 NE ARG A 100 4.210 9.896 9.136 1.00 0.00 N ATOM 1553 CZ ARG A 100 3.958 11.030 9.792 1.00 0.00 C ATOM 1554 NH1 ARG A 100 3.410 10.994 11.001 1.00 0.00 N ATOM 1555 NH2 ARG A 100 4.259 12.204 9.243 1.00 0.00 N ATOM 0 H ARG A 100 5.643 5.015 9.226 1.00 0.00 H new ATOM 0 HA ARG A 100 6.656 6.678 7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.266 7.245 10.125 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.461 8.447 8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.353 7.591 7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.145 6.492 9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.794 8.418 9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.164 8.485 10.688 1.00 0.00 H new ATOM 0 HE ARG A 100 4.665 9.962 8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.181 10.098 11.430 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.218 11.863 11.500 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.684 12.240 8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.064 13.068 9.749 1.00 0.00 H new ATOM 1569 N ARG A 101 8.769 5.555 9.346 1.00 0.00 N ATOM 1570 CA ARG A 101 10.184 5.418 9.648 1.00 0.00 C ATOM 1571 C ARG A 101 10.523 3.950 9.891 1.00 0.00 C ATOM 1572 O ARG A 101 10.233 3.398 10.951 1.00 0.00 O ATOM 1573 CB ARG A 101 10.582 6.278 10.857 1.00 0.00 C ATOM 1574 CG ARG A 101 9.703 6.082 12.082 1.00 0.00 C ATOM 1575 CD ARG A 101 10.295 6.768 13.302 1.00 0.00 C ATOM 1576 NE ARG A 101 9.452 6.604 14.484 1.00 0.00 N ATOM 1577 CZ ARG A 101 9.808 5.918 15.568 1.00 0.00 C ATOM 1578 NH1 ARG A 101 10.974 5.277 15.613 1.00 0.00 N ATOM 1579 NH2 ARG A 101 8.988 5.868 16.606 1.00 0.00 N ATOM 0 H ARG A 101 8.171 4.883 9.827 1.00 0.00 H new ATOM 0 HA ARG A 101 10.755 5.775 8.791 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.614 6.051 11.125 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.551 7.328 10.567 1.00 0.00 H new ATOM 0 HG2 ARG A 101 8.708 6.480 11.885 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.586 5.017 12.282 1.00 0.00 H new ATOM 0 HD2 ARG A 101 11.285 6.359 13.503 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.425 7.830 13.094 1.00 0.00 H new ATOM 0 HE ARG A 101 8.531 7.043 14.478 1.00 0.00 H new ATOM 0 HH11 ARG A 101 11.605 5.309 14.812 1.00 0.00 H new ATOM 0 HH12 ARG A 101 11.237 4.754 16.449 1.00 0.00 H new ATOM 0 HH21 ARG A 101 8.091 6.353 16.571 1.00 0.00 H new ATOM 0 HH22 ARG A 101 9.253 5.345 17.440 1.00 0.00 H new ATOM 1593 N VAL A 102 11.122 3.312 8.895 1.00 0.00 N ATOM 1594 CA VAL A 102 11.417 1.887 8.977 1.00 0.00 C ATOM 1595 C VAL A 102 12.870 1.668 9.400 1.00 0.00 C ATOM 1596 O VAL A 102 13.410 0.565 9.300 1.00 0.00 O ATOM 1597 CB VAL A 102 11.148 1.182 7.625 1.00 0.00 C ATOM 1598 CG1 VAL A 102 11.065 -0.330 7.796 1.00 0.00 C ATOM 1599 CG2 VAL A 102 9.873 1.715 6.985 1.00 0.00 C ATOM 0 H VAL A 102 11.412 3.756 8.024 1.00 0.00 H new ATOM 0 HA VAL A 102 10.757 1.451 9.727 1.00 0.00 H new ATOM 0 HB VAL A 102 11.987 1.400 6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 102 10.875 -0.796 6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.006 -0.703 8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 102 10.254 -0.575 8.482 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.702 1.207 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.029 1.534 7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.974 2.786 6.810 1.00 0.00 H new ATOM 1609 N ARG A 103 13.496 2.724 9.899 1.00 0.00 N ATOM 1610 CA ARG A 103 14.879 2.636 10.337 1.00 0.00 C ATOM 1611 C ARG A 103 14.959 1.996 11.722 1.00 0.00 C ATOM 1612 O ARG A 103 15.103 2.678 12.736 1.00 0.00 O ATOM 1613 CB ARG A 103 15.551 4.012 10.344 1.00 0.00 C ATOM 1614 CG ARG A 103 17.037 3.943 10.656 1.00 0.00 C ATOM 1615 CD ARG A 103 17.675 5.319 10.695 1.00 0.00 C ATOM 1616 NE ARG A 103 19.094 5.244 11.037 1.00 0.00 N ATOM 1617 CZ ARG A 103 19.818 6.279 11.460 1.00 0.00 C ATOM 1618 NH1 ARG A 103 19.268 7.487 11.555 1.00 0.00 N ATOM 1619 NH2 ARG A 103 21.094 6.109 11.780 1.00 0.00 N ATOM 0 H ARG A 103 13.071 3.645 10.010 1.00 0.00 H new ATOM 0 HA ARG A 103 15.415 2.007 9.627 1.00 0.00 H new ATOM 0 HB2 ARG A 103 15.411 4.484 9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.059 4.647 11.081 1.00 0.00 H new ATOM 0 HG2 ARG A 103 17.183 3.449 11.616 1.00 0.00 H new ATOM 0 HG3 ARG A 103 17.537 3.333 9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 103 17.559 5.802 9.725 1.00 0.00 H new ATOM 0 HD3 ARG A 103 17.156 5.941 11.425 1.00 0.00 H new ATOM 0 HE ARG A 103 19.560 4.341 10.946 1.00 0.00 H new ATOM 0 HH11 ARG A 103 18.289 7.623 11.304 1.00 0.00 H new ATOM 0 HH12 ARG A 103 19.826 8.277 11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 103 21.521 5.186 11.702 1.00 0.00 H new ATOM 0 HH22 ARG A 103 21.649 6.901 12.104 1.00 0.00 H new ATOM 1633 N LEU A 104 14.803 0.682 11.750 1.00 0.00 N ATOM 1634 CA LEU A 104 14.968 -0.099 12.966 1.00 0.00 C ATOM 1635 C LEU A 104 15.968 -1.213 12.700 1.00 0.00 C ATOM 1636 O LEU A 104 15.940 -2.266 13.336 1.00 0.00 O ATOM 1637 CB LEU A 104 13.633 -0.699 13.441 1.00 0.00 C ATOM 1638 CG LEU A 104 12.639 0.281 14.077 1.00 0.00 C ATOM 1639 CD1 LEU A 104 11.942 1.129 13.024 1.00 0.00 C ATOM 1640 CD2 LEU A 104 11.620 -0.469 14.923 1.00 0.00 C ATOM 0 H LEU A 104 14.558 0.127 10.930 1.00 0.00 H new ATOM 0 HA LEU A 104 15.331 0.559 13.755 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.148 -1.174 12.588 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.849 -1.486 14.164 1.00 0.00 H new ATOM 0 HG LEU A 104 13.202 0.955 14.723 1.00 0.00 H new ATOM 0 HD11 LEU A 104 11.245 1.812 13.510 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.684 1.702 12.469 1.00 0.00 H new ATOM 0 HD13 LEU A 104 11.396 0.481 12.338 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.922 0.241 15.367 1.00 0.00 H new ATOM 0 HD22 LEU A 104 11.072 -1.172 14.295 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.135 -1.015 15.714 1.00 0.00 H new ATOM 1652 N GLU A 105 16.857 -0.970 11.745 1.00 0.00 N ATOM 1653 CA GLU A 105 17.826 -1.972 11.331 1.00 0.00 C ATOM 1654 C GLU A 105 19.019 -2.008 12.282 1.00 0.00 C ATOM 1655 O GLU A 105 20.143 -1.665 11.919 1.00 0.00 O ATOM 1656 CB GLU A 105 18.278 -1.716 9.892 1.00 0.00 C ATOM 1657 CG GLU A 105 17.122 -1.692 8.902 1.00 0.00 C ATOM 1658 CD GLU A 105 17.577 -1.594 7.463 1.00 0.00 C ATOM 1659 OE1 GLU A 105 17.883 -0.474 7.007 1.00 0.00 O ATOM 1660 OE2 GLU A 105 17.621 -2.640 6.779 1.00 0.00 O ATOM 0 H GLU A 105 16.925 -0.085 11.243 1.00 0.00 H new ATOM 0 HA GLU A 105 17.344 -2.949 11.369 1.00 0.00 H new ATOM 0 HB2 GLU A 105 18.808 -0.764 9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 105 18.987 -2.490 9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.525 -2.595 9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 105 16.473 -0.846 9.130 1.00 0.00 H new ATOM 1667 N HIS A 106 18.739 -2.388 13.517 1.00 0.00 N ATOM 1668 CA HIS A 106 19.764 -2.612 14.519 1.00 0.00 C ATOM 1669 C HIS A 106 19.442 -3.897 15.259 1.00 0.00 C ATOM 1670 O HIS A 106 18.634 -3.903 16.188 1.00 0.00 O ATOM 1671 CB HIS A 106 19.853 -1.438 15.509 1.00 0.00 C ATOM 1672 CG HIS A 106 20.831 -1.656 16.634 1.00 0.00 C ATOM 1673 ND1 HIS A 106 22.126 -1.188 16.613 1.00 0.00 N ATOM 1674 CD2 HIS A 106 20.690 -2.296 17.823 1.00 0.00 C ATOM 1675 CE1 HIS A 106 22.738 -1.531 17.732 1.00 0.00 C ATOM 1676 NE2 HIS A 106 21.888 -2.203 18.481 1.00 0.00 N ATOM 0 H HIS A 106 17.790 -2.550 13.853 1.00 0.00 H new ATOM 0 HA HIS A 106 20.732 -2.692 14.024 1.00 0.00 H new ATOM 0 HB2 HIS A 106 20.137 -0.538 14.964 1.00 0.00 H new ATOM 0 HB3 HIS A 106 18.865 -1.257 15.931 1.00 0.00 H new ATOM 0 HD2 HIS A 106 19.798 -2.787 18.183 1.00 0.00 H new ATOM 0 HE1 HIS A 106 23.761 -1.300 17.989 1.00 0.00 H new ATOM 0 HE2 HIS A 106 22.089 -2.592 19.402 1.00 0.00 H new ATOM 1685 N HIS A 107 20.040 -4.985 14.819 1.00 0.00 N ATOM 1686 CA HIS A 107 19.803 -6.271 15.442 1.00 0.00 C ATOM 1687 C HIS A 107 21.078 -6.786 16.086 1.00 0.00 C ATOM 1688 O HIS A 107 21.955 -7.331 15.417 1.00 0.00 O ATOM 1689 CB HIS A 107 19.276 -7.277 14.420 1.00 0.00 C ATOM 1690 CG HIS A 107 18.773 -8.546 15.028 1.00 0.00 C ATOM 1691 ND1 HIS A 107 19.512 -9.706 15.084 1.00 0.00 N ATOM 1692 CD2 HIS A 107 17.588 -8.830 15.617 1.00 0.00 C ATOM 1693 CE1 HIS A 107 18.804 -10.646 15.680 1.00 0.00 C ATOM 1694 NE2 HIS A 107 17.633 -10.142 16.013 1.00 0.00 N ATOM 0 H HIS A 107 20.692 -5.005 14.035 1.00 0.00 H new ATOM 0 HA HIS A 107 19.047 -6.145 16.217 1.00 0.00 H new ATOM 0 HB2 HIS A 107 18.471 -6.814 13.850 1.00 0.00 H new ATOM 0 HB3 HIS A 107 20.071 -7.514 13.713 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.760 -8.149 15.750 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.130 -11.659 15.864 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.883 -10.645 16.487 1.00 0.00 H new ATOM 1703 N HIS A 108 21.182 -6.589 17.384 1.00 0.00 N ATOM 1704 CA HIS A 108 22.310 -7.085 18.144 1.00 0.00 C ATOM 1705 C HIS A 108 21.792 -7.996 19.240 1.00 0.00 C ATOM 1706 O HIS A 108 21.506 -7.549 20.351 1.00 0.00 O ATOM 1707 CB HIS A 108 23.129 -5.928 18.733 1.00 0.00 C ATOM 1708 CG HIS A 108 24.362 -6.370 19.463 1.00 0.00 C ATOM 1709 ND1 HIS A 108 24.485 -6.318 20.834 1.00 0.00 N ATOM 1710 CD2 HIS A 108 25.532 -6.870 19.001 1.00 0.00 C ATOM 1711 CE1 HIS A 108 25.677 -6.768 21.182 1.00 0.00 C ATOM 1712 NE2 HIS A 108 26.331 -7.110 20.089 1.00 0.00 N ATOM 0 H HIS A 108 20.491 -6.084 17.939 1.00 0.00 H new ATOM 0 HA HIS A 108 22.974 -7.646 17.486 1.00 0.00 H new ATOM 0 HB2 HIS A 108 23.417 -5.252 17.928 1.00 0.00 H new ATOM 0 HB3 HIS A 108 22.498 -5.359 19.416 1.00 0.00 H new ATOM 0 HD2 HIS A 108 25.789 -7.047 17.967 1.00 0.00 H new ATOM 0 HE1 HIS A 108 26.053 -6.843 22.192 1.00 0.00 H new ATOM 0 HE2 HIS A 108 27.277 -7.491 20.058 1.00 0.00 H new ATOM 1721 N HIS A 109 21.630 -9.267 18.910 1.00 0.00 N ATOM 1722 CA HIS A 109 21.042 -10.211 19.840 1.00 0.00 C ATOM 1723 C HIS A 109 21.692 -11.584 19.726 1.00 0.00 C ATOM 1724 O HIS A 109 21.275 -12.427 18.931 1.00 0.00 O ATOM 1725 CB HIS A 109 19.526 -10.312 19.617 1.00 0.00 C ATOM 1726 CG HIS A 109 18.835 -11.303 20.509 1.00 0.00 C ATOM 1727 ND1 HIS A 109 18.590 -11.080 21.848 1.00 0.00 N ATOM 1728 CD2 HIS A 109 18.340 -12.535 20.242 1.00 0.00 C ATOM 1729 CE1 HIS A 109 17.976 -12.129 22.360 1.00 0.00 C ATOM 1730 NE2 HIS A 109 17.811 -13.026 21.409 1.00 0.00 N ATOM 0 H HIS A 109 21.896 -9.665 18.010 1.00 0.00 H new ATOM 0 HA HIS A 109 21.223 -9.841 20.849 1.00 0.00 H new ATOM 0 HB2 HIS A 109 19.081 -9.329 19.773 1.00 0.00 H new ATOM 0 HB3 HIS A 109 19.341 -10.585 18.578 1.00 0.00 H new ATOM 0 HD2 HIS A 109 18.358 -13.038 19.287 1.00 0.00 H new ATOM 0 HE1 HIS A 109 17.661 -12.235 23.388 1.00 0.00 H new ATOM 0 HE2 HIS A 109 17.364 -13.936 21.522 1.00 0.00 H new ATOM 1739 N HIS A 110 22.743 -11.776 20.497 1.00 0.00 N ATOM 1740 CA HIS A 110 23.314 -13.097 20.701 1.00 0.00 C ATOM 1741 C HIS A 110 23.051 -13.484 22.149 1.00 0.00 C ATOM 1742 O HIS A 110 23.247 -14.625 22.569 1.00 0.00 O ATOM 1743 CB HIS A 110 24.817 -13.093 20.404 1.00 0.00 C ATOM 1744 CG HIS A 110 25.388 -14.460 20.168 1.00 0.00 C ATOM 1745 ND1 HIS A 110 25.852 -15.275 21.177 1.00 0.00 N ATOM 1746 CD2 HIS A 110 25.564 -15.152 19.020 1.00 0.00 C ATOM 1747 CE1 HIS A 110 26.286 -16.409 20.659 1.00 0.00 C ATOM 1748 NE2 HIS A 110 26.122 -16.362 19.349 1.00 0.00 N ATOM 0 H HIS A 110 23.224 -11.029 20.998 1.00 0.00 H new ATOM 0 HA HIS A 110 22.858 -13.819 20.023 1.00 0.00 H new ATOM 0 HB2 HIS A 110 25.003 -12.474 19.526 1.00 0.00 H new ATOM 0 HB3 HIS A 110 25.342 -12.628 21.239 1.00 0.00 H new ATOM 0 HD2 HIS A 110 25.312 -14.814 18.026 1.00 0.00 H new ATOM 0 HE1 HIS A 110 26.705 -17.236 21.213 1.00 0.00 H new ATOM 0 HE2 HIS A 110 26.369 -17.102 18.692 1.00 0.00 H new ATOM 1757 N HIS A 111 22.599 -12.490 22.896 1.00 0.00 N ATOM 1758 CA HIS A 111 22.218 -12.645 24.284 1.00 0.00 C ATOM 1759 C HIS A 111 21.161 -11.597 24.610 1.00 0.00 C ATOM 1760 O HIS A 111 21.338 -10.433 24.191 1.00 0.00 O ATOM 1761 CB HIS A 111 23.433 -12.478 25.202 1.00 0.00 C ATOM 1762 CG HIS A 111 23.166 -12.825 26.637 1.00 0.00 C ATOM 1763 ND1 HIS A 111 21.921 -12.738 27.219 1.00 0.00 N ATOM 1764 CD2 HIS A 111 23.999 -13.262 27.606 1.00 0.00 C ATOM 1765 CE1 HIS A 111 22.002 -13.104 28.482 1.00 0.00 C ATOM 1766 NE2 HIS A 111 23.254 -13.429 28.746 1.00 0.00 N ATOM 1767 OXT HIS A 111 20.174 -11.934 25.291 1.00 0.00 O ATOM 0 H HIS A 111 22.486 -11.539 22.546 1.00 0.00 H new ATOM 0 HA HIS A 111 21.817 -13.646 24.445 1.00 0.00 H new ATOM 0 HB2 HIS A 111 24.244 -13.105 24.832 1.00 0.00 H new ATOM 0 HB3 HIS A 111 23.778 -11.446 25.147 1.00 0.00 H new ATOM 0 HD1 HIS A 111 21.069 -12.437 26.746 1.00 0.00 H new ATOM 0 HD2 HIS A 111 25.058 -13.446 27.502 1.00 0.00 H new ATOM 0 HE1 HIS A 111 21.182 -13.133 29.184 1.00 0.00 H new TER 1776 HIS A 111