USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 973 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 113 ASN : amide:sc= -0.951 K(o=-0.95,f=-2.9!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 CYS SG : rot -150:sc= -0.146 USER MOD Set 2.2: A 83 THR OG1 : rot 76:sc= 1.44 USER MOD Set 2.3: A 93 HIS : no HD1:sc= -1.38 X(o=-0.093,f=-0.035) USER MOD Set 3.1: A 44 THR OG1 : rot -130:sc= 0.131 USER MOD Set 3.2: A 46 GLN : amide:sc= -0.535 X(o=-0.4,f=0.068) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.844 K(o=0.84,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.00279 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -109:sc= 0.314 (180deg=-1.02) USER MOD Single : A 27 ASN : amide:sc= -1.45 K(o=-1.5,f=-7!) USER MOD Single : A 36 THR OG1 : rot 111:sc= 0.157 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.391 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc=-0.00939 X(o=-0.0094,f=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.0736 X(o=-0.074,f=-0.37) USER MOD Single : A 57 ASN : amide:sc= -4.29! C(o=-4.3!,f=-6.7!) USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= -0.0177 (180deg=-0.203) USER MOD Single : A 65 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.22) USER MOD Single : A 68 GLN : amide:sc= -0.312 K(o=-0.31,f=-5.5!) USER MOD Single : A 71 GLN : amide:sc= -4.23! C(o=-4.2!,f=-6.2!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0741 X(o=-0.074,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -150:sc= -0.45 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -14:sc= 0.828 USER MOD Single : A 122 THR OG1 : rot 180:sc=-0.00573 USER MOD Single : A 125 SER OG : rot 53:sc= 0.622 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.691 1.102 11.731 1.00 0.00 N ATOM 2 CA GLY A 1 -9.062 2.138 10.785 1.00 0.00 C ATOM 3 C GLY A 1 -9.974 3.183 11.397 1.00 0.00 C ATOM 4 O GLY A 1 -11.122 2.894 11.733 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.068 0.413 11.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.192 1.530 12.537 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.547 0.620 12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.161 2.622 10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.560 1.683 9.929 1.00 0.00 H new ATOM 8 N SER A 2 -9.461 4.400 11.545 1.00 0.00 N ATOM 9 CA SER A 2 -10.235 5.490 12.126 1.00 0.00 C ATOM 10 C SER A 2 -10.556 6.549 11.075 1.00 0.00 C ATOM 11 O SER A 2 -10.019 6.524 9.968 1.00 0.00 O ATOM 12 CB SER A 2 -9.470 6.125 13.289 1.00 0.00 C ATOM 13 OG SER A 2 -9.100 5.150 14.248 1.00 0.00 O ATOM 0 H SER A 2 -8.513 4.656 11.270 1.00 0.00 H new ATOM 0 HA SER A 2 -11.172 5.078 12.500 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.578 6.626 12.912 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.088 6.888 13.762 1.00 0.00 H new ATOM 0 HG SER A 2 -8.611 5.580 14.980 1.00 0.00 H new ATOM 19 N SER A 3 -11.437 7.479 11.431 1.00 0.00 N ATOM 20 CA SER A 3 -11.833 8.545 10.519 1.00 0.00 C ATOM 21 C SER A 3 -10.616 9.331 10.040 1.00 0.00 C ATOM 22 O SER A 3 -10.431 9.540 8.842 1.00 0.00 O ATOM 23 CB SER A 3 -12.826 9.488 11.203 1.00 0.00 C ATOM 24 OG SER A 3 -13.099 10.617 10.392 1.00 0.00 O ATOM 0 H SER A 3 -11.890 7.515 12.344 1.00 0.00 H new ATOM 0 HA SER A 3 -12.313 8.089 9.653 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.753 8.955 11.413 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.422 9.814 12.161 1.00 0.00 H new ATOM 0 HG SER A 3 -13.737 11.203 10.851 1.00 0.00 H new ATOM 30 N GLY A 4 -9.789 9.764 10.986 1.00 0.00 N ATOM 31 CA GLY A 4 -8.600 10.521 10.642 1.00 0.00 C ATOM 32 C GLY A 4 -7.379 9.639 10.473 1.00 0.00 C ATOM 33 O GLY A 4 -6.857 9.097 11.447 1.00 0.00 O ATOM 0 H GLY A 4 -9.921 9.604 11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.778 11.071 9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.406 11.260 11.420 1.00 0.00 H new ATOM 37 N SER A 5 -6.923 9.494 9.233 1.00 0.00 N ATOM 38 CA SER A 5 -5.759 8.666 8.938 1.00 0.00 C ATOM 39 C SER A 5 -4.467 9.434 9.200 1.00 0.00 C ATOM 40 O SER A 5 -4.069 10.291 8.411 1.00 0.00 O ATOM 41 CB SER A 5 -5.798 8.193 7.484 1.00 0.00 C ATOM 42 OG SER A 5 -6.871 7.292 7.270 1.00 0.00 O ATOM 0 H SER A 5 -7.342 9.939 8.416 1.00 0.00 H new ATOM 0 HA SER A 5 -5.786 7.797 9.596 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.903 9.052 6.821 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.855 7.708 7.231 1.00 0.00 H new ATOM 0 HG SER A 5 -6.876 7.005 6.333 1.00 0.00 H new ATOM 48 N SER A 6 -3.815 9.120 10.315 1.00 0.00 N ATOM 49 CA SER A 6 -2.569 9.782 10.685 1.00 0.00 C ATOM 50 C SER A 6 -1.393 8.814 10.597 1.00 0.00 C ATOM 51 O SER A 6 -1.178 7.998 11.492 1.00 0.00 O ATOM 52 CB SER A 6 -2.671 10.352 12.101 1.00 0.00 C ATOM 53 OG SER A 6 -3.858 11.108 12.263 1.00 0.00 O ATOM 0 H SER A 6 -4.129 8.411 10.978 1.00 0.00 H new ATOM 0 HA SER A 6 -2.398 10.599 9.984 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.653 9.538 12.826 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.805 10.981 12.306 1.00 0.00 H new ATOM 0 HG SER A 6 -3.900 11.460 13.177 1.00 0.00 H new ATOM 59 N GLY A 7 -0.633 8.913 9.510 1.00 0.00 N ATOM 60 CA GLY A 7 0.512 8.041 9.324 1.00 0.00 C ATOM 61 C GLY A 7 0.134 6.714 8.698 1.00 0.00 C ATOM 62 O GLY A 7 0.811 6.232 7.788 1.00 0.00 O ATOM 0 H GLY A 7 -0.790 9.581 8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.247 8.541 8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.989 7.862 10.288 1.00 0.00 H new ATOM 66 N LEU A 8 -0.949 6.118 9.186 1.00 0.00 N ATOM 67 CA LEU A 8 -1.415 4.836 8.670 1.00 0.00 C ATOM 68 C LEU A 8 -2.512 5.035 7.628 1.00 0.00 C ATOM 69 O LEU A 8 -3.330 5.948 7.739 1.00 0.00 O ATOM 70 CB LEU A 8 -1.934 3.962 9.813 1.00 0.00 C ATOM 71 CG LEU A 8 -2.361 2.544 9.433 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.164 1.605 9.445 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.444 2.042 10.376 1.00 0.00 C ATOM 0 H LEU A 8 -1.521 6.502 9.938 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.572 4.336 8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.156 3.894 10.574 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.785 4.466 10.271 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.769 2.567 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.487 0.600 9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.420 1.954 8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.726 1.587 10.443 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.735 1.031 10.090 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.063 2.035 11.397 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.311 2.700 10.317 1.00 0.00 H new ATOM 85 N VAL A 9 -2.523 4.173 6.616 1.00 0.00 N ATOM 86 CA VAL A 9 -3.521 4.251 5.556 1.00 0.00 C ATOM 87 C VAL A 9 -4.635 3.234 5.774 1.00 0.00 C ATOM 88 O VAL A 9 -5.805 3.597 5.897 1.00 0.00 O ATOM 89 CB VAL A 9 -2.888 4.015 4.172 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.960 3.989 3.093 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.846 5.082 3.873 1.00 0.00 C ATOM 0 H VAL A 9 -1.852 3.413 6.508 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.940 5.257 5.589 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.390 3.046 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.495 3.821 2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.666 3.185 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.489 4.942 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.409 4.899 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.318 6.064 3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.063 5.048 4.630 1.00 0.00 H new ATOM 101 N ARG A 10 -4.264 1.959 5.822 1.00 0.00 N ATOM 102 CA ARG A 10 -5.232 0.888 6.024 1.00 0.00 C ATOM 103 C ARG A 10 -4.586 -0.305 6.723 1.00 0.00 C ATOM 104 O ARG A 10 -3.363 -0.445 6.730 1.00 0.00 O ATOM 105 CB ARG A 10 -5.825 0.448 4.685 1.00 0.00 C ATOM 106 CG ARG A 10 -7.047 -0.446 4.824 1.00 0.00 C ATOM 107 CD ARG A 10 -7.901 -0.423 3.565 1.00 0.00 C ATOM 108 NE ARG A 10 -9.187 -1.084 3.765 1.00 0.00 N ATOM 109 CZ ARG A 10 -10.230 -0.922 2.958 1.00 0.00 C ATOM 110 NH1 ARG A 10 -10.137 -0.125 1.902 1.00 0.00 N ATOM 111 NH2 ARG A 10 -11.368 -1.558 3.205 1.00 0.00 N ATOM 0 H ARG A 10 -3.299 1.642 5.724 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.031 1.270 6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.096 1.333 4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.061 -0.081 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.730 -1.468 5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.644 -0.119 5.676 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.068 0.610 3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.364 -0.913 2.753 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.291 -1.704 4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.264 0.365 1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.939 -0.002 1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.443 -2.173 4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.168 -1.432 2.584 1.00 0.00 H new ATOM 125 N GLY A 11 -5.416 -1.162 7.309 1.00 0.00 N ATOM 126 CA GLY A 11 -4.907 -2.331 8.003 1.00 0.00 C ATOM 127 C GLY A 11 -5.866 -3.503 7.944 1.00 0.00 C ATOM 128 O GLY A 11 -7.080 -3.318 7.861 1.00 0.00 O ATOM 0 H GLY A 11 -6.432 -1.068 7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.953 -2.624 7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.714 -2.076 9.045 1.00 0.00 H new ATOM 132 N GLY A 12 -5.321 -4.715 7.986 1.00 0.00 N ATOM 133 CA GLY A 12 -6.151 -5.904 7.935 1.00 0.00 C ATOM 134 C GLY A 12 -5.339 -7.170 7.743 1.00 0.00 C ATOM 135 O GLY A 12 -4.542 -7.269 6.811 1.00 0.00 O ATOM 0 H GLY A 12 -4.319 -4.894 8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.726 -5.982 8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.868 -5.808 7.119 1.00 0.00 H new ATOM 139 N TRP A 13 -5.541 -8.139 8.629 1.00 0.00 N ATOM 140 CA TRP A 13 -4.819 -9.404 8.554 1.00 0.00 C ATOM 141 C TRP A 13 -4.972 -10.037 7.175 1.00 0.00 C ATOM 142 O TRP A 13 -6.077 -10.120 6.638 1.00 0.00 O ATOM 143 CB TRP A 13 -5.325 -10.367 9.630 1.00 0.00 C ATOM 144 CG TRP A 13 -4.966 -9.944 11.022 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.625 -9.033 11.797 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.862 -10.415 11.803 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.997 -8.909 13.013 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.913 -9.746 13.042 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.836 -11.337 11.577 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.977 -9.972 14.048 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.908 -11.559 12.576 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.984 -10.879 13.799 1.00 0.00 C ATOM 0 H TRP A 13 -6.198 -8.073 9.407 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.762 -9.202 8.725 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.409 -10.451 9.552 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.914 -11.359 9.442 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.509 -8.490 11.498 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.291 -8.293 13.771 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.770 -11.866 10.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -3.033 -9.450 14.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.111 -12.269 12.412 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.243 -11.075 14.560 1.00 0.00 H new ATOM 163 N LEU A 14 -3.857 -10.482 6.607 1.00 0.00 N ATOM 164 CA LEU A 14 -3.867 -11.108 5.289 1.00 0.00 C ATOM 165 C LEU A 14 -3.052 -12.398 5.293 1.00 0.00 C ATOM 166 O LEU A 14 -2.138 -12.564 6.100 1.00 0.00 O ATOM 167 CB LEU A 14 -3.311 -10.144 4.240 1.00 0.00 C ATOM 168 CG LEU A 14 -4.124 -8.871 4.001 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.240 -7.771 3.434 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.293 -9.153 3.068 1.00 0.00 C ATOM 0 H LEU A 14 -2.935 -10.421 7.038 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.899 -11.352 5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.303 -9.857 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.224 -10.679 3.294 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.522 -8.532 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.836 -6.873 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.437 -7.550 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.812 -8.100 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.861 -8.236 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.916 -9.517 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.940 -9.908 3.514 1.00 0.00 H new ATOM 182 N TRP A 15 -3.389 -13.307 4.385 1.00 0.00 N ATOM 183 CA TRP A 15 -2.687 -14.581 4.283 1.00 0.00 C ATOM 184 C TRP A 15 -1.556 -14.499 3.264 1.00 0.00 C ATOM 185 O TRP A 15 -1.793 -14.279 2.076 1.00 0.00 O ATOM 186 CB TRP A 15 -3.662 -15.694 3.893 1.00 0.00 C ATOM 187 CG TRP A 15 -4.577 -16.100 5.008 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.899 -15.784 5.140 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.237 -16.895 6.149 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.402 -16.335 6.294 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.402 -17.022 6.931 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.062 -17.513 6.586 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.424 -17.741 8.123 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.085 -18.226 7.770 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.259 -18.336 8.527 1.00 0.00 C ATOM 0 H TRP A 15 -4.143 -13.186 3.709 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.257 -14.810 5.258 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.260 -15.362 3.044 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.095 -16.564 3.563 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.466 -15.188 4.440 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.363 -16.247 6.623 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.152 -17.435 6.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.328 -17.826 8.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.182 -18.707 8.118 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.245 -18.901 9.447 1.00 0.00 H new ATOM 206 N ARG A 16 -0.326 -14.677 3.735 1.00 0.00 N ATOM 207 CA ARG A 16 0.841 -14.622 2.864 1.00 0.00 C ATOM 208 C ARG A 16 1.481 -16.000 2.725 1.00 0.00 C ATOM 209 O ARG A 16 1.669 -16.710 3.713 1.00 0.00 O ATOM 210 CB ARG A 16 1.865 -13.626 3.411 1.00 0.00 C ATOM 211 CG ARG A 16 3.200 -13.663 2.684 1.00 0.00 C ATOM 212 CD ARG A 16 4.218 -12.744 3.341 1.00 0.00 C ATOM 213 NE ARG A 16 4.949 -13.415 4.412 1.00 0.00 N ATOM 214 CZ ARG A 16 5.917 -14.299 4.199 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.269 -14.617 2.961 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.536 -14.867 5.226 1.00 0.00 N ATOM 0 H ARG A 16 -0.112 -14.861 4.715 1.00 0.00 H new ATOM 0 HA ARG A 16 0.513 -14.292 1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.452 -12.620 3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.031 -13.832 4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.582 -14.684 2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.058 -13.366 1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.922 -12.387 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.709 -11.868 3.743 1.00 0.00 H new ATOM 0 HE ARG A 16 4.703 -13.193 5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.796 -14.182 2.169 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.013 -15.296 2.801 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.269 -14.625 6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.279 -15.546 5.061 1.00 0.00 H new ATOM 230 N GLN A 17 1.812 -16.371 1.492 1.00 0.00 N ATOM 231 CA GLN A 17 2.429 -17.665 1.224 1.00 0.00 C ATOM 232 C GLN A 17 3.938 -17.603 1.440 1.00 0.00 C ATOM 233 O GLN A 17 4.631 -16.796 0.821 1.00 0.00 O ATOM 234 CB GLN A 17 2.124 -18.113 -0.206 1.00 0.00 C ATOM 235 CG GLN A 17 2.266 -19.611 -0.418 1.00 0.00 C ATOM 236 CD GLN A 17 1.952 -20.032 -1.840 1.00 0.00 C ATOM 237 OE1 GLN A 17 2.804 -20.580 -2.540 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.724 -19.777 -2.276 1.00 0.00 N ATOM 0 H GLN A 17 1.663 -15.794 0.664 1.00 0.00 H new ATOM 0 HA GLN A 17 2.010 -18.391 1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.108 -17.813 -0.463 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.793 -17.593 -0.891 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.283 -19.914 -0.170 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.600 -20.136 0.267 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.049 -19.321 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.455 -20.037 -3.225 1.00 0.00 H new ATOM 247 N SER A 18 4.440 -18.462 2.322 1.00 0.00 N ATOM 248 CA SER A 18 5.866 -18.502 2.623 1.00 0.00 C ATOM 249 C SER A 18 6.677 -18.821 1.370 1.00 0.00 C ATOM 250 O SER A 18 6.117 -19.096 0.309 1.00 0.00 O ATOM 251 CB SER A 18 6.151 -19.543 3.707 1.00 0.00 C ATOM 252 OG SER A 18 7.423 -19.331 4.296 1.00 0.00 O ATOM 0 H SER A 18 3.880 -19.139 2.840 1.00 0.00 H new ATOM 0 HA SER A 18 6.163 -17.518 2.987 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.379 -19.494 4.475 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.109 -20.543 3.275 1.00 0.00 H new ATOM 0 HG SER A 18 7.581 -20.008 4.987 1.00 0.00 H new ATOM 258 N SER A 19 7.999 -18.782 1.503 1.00 0.00 N ATOM 259 CA SER A 19 8.888 -19.063 0.381 1.00 0.00 C ATOM 260 C SER A 19 9.576 -20.413 0.559 1.00 0.00 C ATOM 261 O SER A 19 9.748 -21.164 -0.402 1.00 0.00 O ATOM 262 CB SER A 19 9.936 -17.957 0.245 1.00 0.00 C ATOM 263 OG SER A 19 10.841 -18.239 -0.809 1.00 0.00 O ATOM 0 H SER A 19 8.478 -18.559 2.375 1.00 0.00 H new ATOM 0 HA SER A 19 8.287 -19.098 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.441 -17.004 0.059 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.484 -17.854 1.181 1.00 0.00 H new ATOM 0 HG SER A 19 11.500 -17.517 -0.876 1.00 0.00 H new ATOM 269 N ILE A 20 9.966 -20.713 1.792 1.00 0.00 N ATOM 270 CA ILE A 20 10.634 -21.972 2.096 1.00 0.00 C ATOM 271 C ILE A 20 9.635 -23.027 2.559 1.00 0.00 C ATOM 272 O ILE A 20 9.905 -24.227 2.489 1.00 0.00 O ATOM 273 CB ILE A 20 11.711 -21.791 3.183 1.00 0.00 C ATOM 274 CG1 ILE A 20 11.095 -21.188 4.447 1.00 0.00 C ATOM 275 CG2 ILE A 20 12.841 -20.912 2.667 1.00 0.00 C ATOM 276 CD1 ILE A 20 12.014 -21.232 5.647 1.00 0.00 C ATOM 0 H ILE A 20 9.831 -20.102 2.597 1.00 0.00 H new ATOM 0 HA ILE A 20 11.111 -22.305 1.174 1.00 0.00 H new ATOM 0 HB ILE A 20 12.122 -22.769 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.819 -20.152 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.175 -21.723 4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.594 -20.793 3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.294 -21.378 1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 20 12.445 -19.934 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 20 11.512 -20.788 6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 20 12.270 -22.267 5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 20 12.924 -20.672 5.429 1.00 0.00 H new ATOM 288 N LEU A 21 8.479 -22.573 3.029 1.00 0.00 N ATOM 289 CA LEU A 21 7.436 -23.477 3.501 1.00 0.00 C ATOM 290 C LEU A 21 6.269 -23.523 2.520 1.00 0.00 C ATOM 291 O LEU A 21 5.440 -24.432 2.568 1.00 0.00 O ATOM 292 CB LEU A 21 6.940 -23.040 4.881 1.00 0.00 C ATOM 293 CG LEU A 21 6.108 -24.065 5.651 1.00 0.00 C ATOM 294 CD1 LEU A 21 6.987 -25.204 6.144 1.00 0.00 C ATOM 295 CD2 LEU A 21 5.389 -23.401 6.816 1.00 0.00 C ATOM 0 H LEU A 21 8.240 -21.584 3.094 1.00 0.00 H new ATOM 0 HA LEU A 21 7.864 -24.477 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.805 -22.774 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.345 -22.135 4.761 1.00 0.00 H new ATOM 0 HG LEU A 21 5.359 -24.478 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.377 -25.924 6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.455 -25.697 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.759 -24.808 6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.801 -24.146 7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.122 -22.960 7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.728 -22.621 6.439 1.00 0.00 H new ATOM 307 N ARG A 22 6.213 -22.539 1.629 1.00 0.00 N ATOM 308 CA ARG A 22 5.149 -22.468 0.635 1.00 0.00 C ATOM 309 C ARG A 22 3.782 -22.653 1.288 1.00 0.00 C ATOM 310 O ARG A 22 2.898 -23.301 0.727 1.00 0.00 O ATOM 311 CB ARG A 22 5.358 -23.531 -0.445 1.00 0.00 C ATOM 312 CG ARG A 22 6.462 -23.187 -1.431 1.00 0.00 C ATOM 313 CD ARG A 22 6.195 -23.794 -2.800 1.00 0.00 C ATOM 314 NE ARG A 22 7.250 -23.472 -3.757 1.00 0.00 N ATOM 315 CZ ARG A 22 8.479 -23.972 -3.692 1.00 0.00 C ATOM 316 NH1 ARG A 22 8.805 -24.814 -2.721 1.00 0.00 N ATOM 317 NH2 ARG A 22 9.384 -23.632 -4.600 1.00 0.00 N ATOM 0 H ARG A 22 6.892 -21.780 1.575 1.00 0.00 H new ATOM 0 HA ARG A 22 5.182 -21.481 0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.593 -24.482 0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.425 -23.671 -0.991 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.546 -22.104 -1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.417 -23.550 -1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.109 -24.877 -2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.240 -23.430 -3.178 1.00 0.00 H new ATOM 0 HE ARG A 22 7.031 -22.828 -4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.111 -25.079 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.749 -25.197 -2.673 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.137 -22.986 -5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.327 -24.017 -4.549 1.00 0.00 H new ATOM 331 N ARG A 23 3.617 -22.080 2.476 1.00 0.00 N ATOM 332 CA ARG A 23 2.359 -22.183 3.206 1.00 0.00 C ATOM 333 C ARG A 23 1.854 -20.804 3.617 1.00 0.00 C ATOM 334 O ARG A 23 2.631 -19.949 4.042 1.00 0.00 O ATOM 335 CB ARG A 23 2.535 -23.064 4.444 1.00 0.00 C ATOM 336 CG ARG A 23 1.244 -23.711 4.920 1.00 0.00 C ATOM 337 CD ARG A 23 0.789 -24.809 3.972 1.00 0.00 C ATOM 338 NE ARG A 23 -0.422 -25.474 4.445 1.00 0.00 N ATOM 339 CZ ARG A 23 -0.449 -26.296 5.488 1.00 0.00 C ATOM 340 NH1 ARG A 23 0.662 -26.553 6.163 1.00 0.00 N ATOM 341 NH2 ARG A 23 -1.591 -26.863 5.857 1.00 0.00 N ATOM 0 H ARG A 23 4.339 -21.540 2.953 1.00 0.00 H new ATOM 0 HA ARG A 23 1.621 -22.638 2.546 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.263 -23.845 4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.949 -22.461 5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.390 -24.127 5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.465 -22.953 5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.607 -24.383 2.985 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.586 -25.544 3.860 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.295 -25.298 3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.541 -26.119 5.882 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.638 -27.185 6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.448 -26.668 5.340 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.612 -27.494 6.658 1.00 0.00 H new ATOM 355 N TRP A 24 0.549 -20.594 3.486 1.00 0.00 N ATOM 356 CA TRP A 24 -0.059 -19.318 3.843 1.00 0.00 C ATOM 357 C TRP A 24 0.084 -19.045 5.336 1.00 0.00 C ATOM 358 O TRP A 24 0.007 -19.961 6.155 1.00 0.00 O ATOM 359 CB TRP A 24 -1.537 -19.306 3.450 1.00 0.00 C ATOM 360 CG TRP A 24 -1.760 -19.443 1.974 1.00 0.00 C ATOM 361 CD1 TRP A 24 -2.070 -20.586 1.294 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.689 -18.399 0.996 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.195 -20.316 -0.047 1.00 0.00 N ATOM 364 CE2 TRP A 24 -1.967 -18.982 -0.256 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.419 -17.030 1.057 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -1.981 -18.241 -1.434 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.433 -16.296 -0.114 1.00 0.00 C ATOM 368 CH2 TRP A 24 -1.713 -16.902 -1.346 1.00 0.00 C ATOM 0 H TRP A 24 -0.108 -21.291 3.135 1.00 0.00 H new ATOM 0 HA TRP A 24 0.462 -18.531 3.297 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.049 -20.119 3.965 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.990 -18.376 3.794 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.198 -21.559 1.744 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.421 -20.999 -0.770 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.203 -16.554 2.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.196 -18.707 -2.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.224 -15.237 -0.079 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.717 -16.301 -2.243 1.00 0.00 H new ATOM 379 N LYS A 25 0.293 -17.780 5.685 1.00 0.00 N ATOM 380 CA LYS A 25 0.446 -17.386 7.081 1.00 0.00 C ATOM 381 C LYS A 25 -0.261 -16.062 7.353 1.00 0.00 C ATOM 382 O LYS A 25 -0.424 -15.238 6.452 1.00 0.00 O ATOM 383 CB LYS A 25 1.929 -17.268 7.439 1.00 0.00 C ATOM 384 CG LYS A 25 2.608 -16.054 6.829 1.00 0.00 C ATOM 385 CD LYS A 25 3.811 -15.617 7.648 1.00 0.00 C ATOM 386 CE LYS A 25 3.418 -14.620 8.727 1.00 0.00 C ATOM 387 NZ LYS A 25 2.993 -15.299 9.982 1.00 0.00 N ATOM 0 H LYS A 25 0.360 -17.010 5.020 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.011 -18.156 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.030 -17.223 8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.447 -18.168 7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.924 -16.286 5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.895 -15.233 6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.275 -16.489 8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.556 -15.169 6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.261 -13.962 8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.606 -13.991 8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.966 -15.189 10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.228 -16.310 9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.487 -14.873 10.792 1.00 0.00 H new ATOM 401 N ARG A 26 -0.677 -15.864 8.599 1.00 0.00 N ATOM 402 CA ARG A 26 -1.365 -14.639 8.989 1.00 0.00 C ATOM 403 C ARG A 26 -0.368 -13.513 9.245 1.00 0.00 C ATOM 404 O ARG A 26 0.643 -13.706 9.918 1.00 0.00 O ATOM 405 CB ARG A 26 -2.210 -14.881 10.241 1.00 0.00 C ATOM 406 CG ARG A 26 -3.611 -15.388 9.942 1.00 0.00 C ATOM 407 CD ARG A 26 -4.141 -16.259 11.070 1.00 0.00 C ATOM 408 NE ARG A 26 -4.698 -15.464 12.161 1.00 0.00 N ATOM 409 CZ ARG A 26 -4.905 -15.937 13.385 1.00 0.00 C ATOM 410 NH1 ARG A 26 -4.601 -17.195 13.672 1.00 0.00 N ATOM 411 NH2 ARG A 26 -5.415 -15.151 14.324 1.00 0.00 N ATOM 0 H ARG A 26 -0.550 -16.536 9.356 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.019 -14.342 8.169 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.700 -15.603 10.879 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.282 -13.951 10.806 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.280 -14.542 9.789 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.602 -15.959 9.014 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.908 -16.928 10.681 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.336 -16.886 11.453 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.942 -14.492 11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.207 -17.801 12.952 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.761 -17.556 14.612 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.649 -14.182 14.107 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.573 -15.515 15.263 1.00 0.00 H new ATOM 425 N ASN A 27 -0.662 -12.335 8.701 1.00 0.00 N ATOM 426 CA ASN A 27 0.210 -11.178 8.869 1.00 0.00 C ATOM 427 C ASN A 27 -0.583 -9.879 8.753 1.00 0.00 C ATOM 428 O ASN A 27 -1.488 -9.765 7.927 1.00 0.00 O ATOM 429 CB ASN A 27 1.329 -11.201 7.827 1.00 0.00 C ATOM 430 CG ASN A 27 2.563 -10.449 8.288 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.487 -9.278 8.661 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.708 -11.121 8.263 1.00 0.00 N ATOM 0 H ASN A 27 -1.496 -12.157 8.141 1.00 0.00 H new ATOM 0 HA ASN A 27 0.650 -11.227 9.865 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.597 -12.235 7.608 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.966 -10.763 6.898 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.572 -10.668 8.561 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.724 -12.090 7.946 1.00 0.00 H new ATOM 439 N TRP A 28 -0.235 -8.904 9.584 1.00 0.00 N ATOM 440 CA TRP A 28 -0.914 -7.613 9.574 1.00 0.00 C ATOM 441 C TRP A 28 -0.143 -6.600 8.736 1.00 0.00 C ATOM 442 O TRP A 28 0.859 -6.041 9.185 1.00 0.00 O ATOM 443 CB TRP A 28 -1.081 -7.090 11.002 1.00 0.00 C ATOM 444 CG TRP A 28 -1.874 -5.821 11.081 1.00 0.00 C ATOM 445 CD1 TRP A 28 -3.220 -5.683 10.895 1.00 0.00 C ATOM 446 CD2 TRP A 28 -1.369 -4.512 11.364 1.00 0.00 C ATOM 447 NE1 TRP A 28 -3.582 -4.366 11.046 1.00 0.00 N ATOM 448 CE2 TRP A 28 -2.466 -3.627 11.335 1.00 0.00 C ATOM 449 CE3 TRP A 28 -0.099 -4.000 11.642 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -2.327 -2.262 11.572 1.00 0.00 C ATOM 451 CZ3 TRP A 28 0.037 -2.645 11.877 1.00 0.00 C ATOM 452 CH2 TRP A 28 -1.072 -1.789 11.841 1.00 0.00 C ATOM 0 H TRP A 28 0.513 -8.982 10.273 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.899 -7.752 9.128 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.570 -7.854 11.606 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.096 -6.922 11.437 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.900 -6.490 10.663 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.529 -3.998 10.957 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.761 -4.652 11.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.180 -1.600 11.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.014 -2.239 12.092 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.933 -0.735 12.029 1.00 0.00 H new ATOM 463 N PHE A 29 -0.615 -6.366 7.516 1.00 0.00 N ATOM 464 CA PHE A 29 0.031 -5.419 6.614 1.00 0.00 C ATOM 465 C PHE A 29 -0.437 -3.994 6.895 1.00 0.00 C ATOM 466 O PHE A 29 -1.635 -3.716 6.915 1.00 0.00 O ATOM 467 CB PHE A 29 -0.262 -5.787 5.158 1.00 0.00 C ATOM 468 CG PHE A 29 0.565 -6.933 4.651 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.233 -8.240 4.970 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.676 -6.704 3.855 1.00 0.00 C ATOM 471 CE1 PHE A 29 0.992 -9.297 4.505 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.439 -7.757 3.386 1.00 0.00 C ATOM 473 CZ PHE A 29 2.097 -9.055 3.713 1.00 0.00 C ATOM 0 H PHE A 29 -1.443 -6.819 7.129 1.00 0.00 H new ATOM 0 HA PHE A 29 1.106 -5.469 6.784 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.318 -6.041 5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.085 -4.915 4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.630 -8.435 5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.949 -5.691 3.598 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.721 -10.311 4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.301 -7.565 2.765 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.693 -9.879 3.350 1.00 0.00 H new ATOM 483 N ALA A 30 0.518 -3.096 7.112 1.00 0.00 N ATOM 484 CA ALA A 30 0.205 -1.700 7.390 1.00 0.00 C ATOM 485 C ALA A 30 0.976 -0.769 6.461 1.00 0.00 C ATOM 486 O ALA A 30 2.204 -0.833 6.379 1.00 0.00 O ATOM 487 CB ALA A 30 0.511 -1.370 8.844 1.00 0.00 C ATOM 0 H ALA A 30 1.515 -3.310 7.101 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.860 -1.549 7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.273 -0.324 9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.089 -2.006 9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.569 -1.544 9.042 1.00 0.00 H new ATOM 493 N LEU A 31 0.250 0.096 5.762 1.00 0.00 N ATOM 494 CA LEU A 31 0.866 1.041 4.837 1.00 0.00 C ATOM 495 C LEU A 31 1.133 2.378 5.522 1.00 0.00 C ATOM 496 O LEU A 31 0.284 2.896 6.246 1.00 0.00 O ATOM 497 CB LEU A 31 -0.033 1.251 3.617 1.00 0.00 C ATOM 498 CG LEU A 31 0.399 2.351 2.646 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.611 1.908 1.842 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.750 2.726 1.721 1.00 0.00 C ATOM 0 H LEU A 31 -0.766 0.163 5.818 1.00 0.00 H new ATOM 0 HA LEU A 31 1.819 0.624 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.091 0.311 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.040 1.478 3.967 1.00 0.00 H new ATOM 0 HG LEU A 31 0.676 3.232 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.904 2.704 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.437 1.690 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.362 1.012 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.425 3.510 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.058 1.850 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.591 3.087 2.313 1.00 0.00 H new ATOM 512 N TRP A 32 2.317 2.931 5.286 1.00 0.00 N ATOM 513 CA TRP A 32 2.696 4.208 5.878 1.00 0.00 C ATOM 514 C TRP A 32 2.649 5.325 4.841 1.00 0.00 C ATOM 515 O TRP A 32 3.076 5.143 3.700 1.00 0.00 O ATOM 516 CB TRP A 32 4.097 4.118 6.485 1.00 0.00 C ATOM 517 CG TRP A 32 4.234 3.024 7.501 1.00 0.00 C ATOM 518 CD1 TRP A 32 5.060 1.939 7.430 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.524 2.911 8.739 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.905 1.157 8.550 1.00 0.00 N ATOM 521 CE2 TRP A 32 3.969 1.732 9.368 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.557 3.691 9.378 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.479 1.316 10.603 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.070 3.277 10.604 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.532 2.099 11.206 1.00 0.00 C ATOM 0 H TRP A 32 3.031 2.515 4.689 1.00 0.00 H new ATOM 0 HA TRP A 32 1.980 4.440 6.667 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.821 3.956 5.687 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.345 5.071 6.952 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.735 1.727 6.614 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.406 0.289 8.741 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.196 4.601 8.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.833 0.408 11.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.321 3.871 11.106 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.133 1.803 12.165 1.00 0.00 H new ATOM 536 N LEU A 33 2.129 6.479 5.243 1.00 0.00 N ATOM 537 CA LEU A 33 2.027 7.626 4.347 1.00 0.00 C ATOM 538 C LEU A 33 3.374 7.933 3.700 1.00 0.00 C ATOM 539 O LEU A 33 3.436 8.524 2.622 1.00 0.00 O ATOM 540 CB LEU A 33 1.525 8.852 5.112 1.00 0.00 C ATOM 541 CG LEU A 33 0.160 8.709 5.786 1.00 0.00 C ATOM 542 CD1 LEU A 33 -0.575 10.041 5.792 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.671 7.643 5.087 1.00 0.00 C ATOM 0 H LEU A 33 1.771 6.646 6.184 1.00 0.00 H new ATOM 0 HA LEU A 33 1.314 7.379 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.260 9.105 5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.480 9.694 4.421 1.00 0.00 H new ATOM 0 HG LEU A 33 0.317 8.399 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.544 9.920 6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.013 10.779 6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.721 10.381 4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.639 7.555 5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.819 7.923 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.151 6.686 5.135 1.00 0.00 H new ATOM 555 N ASP A 34 4.450 7.526 4.365 1.00 0.00 N ATOM 556 CA ASP A 34 5.797 7.754 3.853 1.00 0.00 C ATOM 557 C ASP A 34 5.997 7.048 2.516 1.00 0.00 C ATOM 558 O ASP A 34 7.008 7.245 1.844 1.00 0.00 O ATOM 559 CB ASP A 34 6.838 7.267 4.862 1.00 0.00 C ATOM 560 CG ASP A 34 6.440 7.565 6.294 1.00 0.00 C ATOM 561 OD1 ASP A 34 6.534 8.742 6.704 1.00 0.00 O ATOM 562 OD2 ASP A 34 6.034 6.623 7.005 1.00 0.00 O ATOM 0 H ASP A 34 4.416 7.037 5.259 1.00 0.00 H new ATOM 0 HA ASP A 34 5.924 8.826 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.980 6.193 4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.796 7.741 4.648 1.00 0.00 H new ATOM 567 N GLY A 35 5.025 6.224 2.136 1.00 0.00 N ATOM 568 CA GLY A 35 5.114 5.500 0.882 1.00 0.00 C ATOM 569 C GLY A 35 5.864 4.190 1.020 1.00 0.00 C ATOM 570 O GLY A 35 6.575 3.772 0.105 1.00 0.00 O ATOM 0 H GLY A 35 4.177 6.045 2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.109 5.302 0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.613 6.124 0.140 1.00 0.00 H new ATOM 574 N THR A 36 5.708 3.539 2.169 1.00 0.00 N ATOM 575 CA THR A 36 6.377 2.270 2.425 1.00 0.00 C ATOM 576 C THR A 36 5.397 1.227 2.950 1.00 0.00 C ATOM 577 O THR A 36 4.402 1.563 3.594 1.00 0.00 O ATOM 578 CB THR A 36 7.525 2.435 3.440 1.00 0.00 C ATOM 579 OG1 THR A 36 7.071 3.181 4.575 1.00 0.00 O ATOM 580 CG2 THR A 36 8.712 3.142 2.804 1.00 0.00 C ATOM 0 H THR A 36 5.124 3.870 2.937 1.00 0.00 H new ATOM 0 HA THR A 36 6.788 1.932 1.474 1.00 0.00 H new ATOM 0 HB THR A 36 7.843 1.443 3.761 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.029 2.593 5.358 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.510 3.247 3.539 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.073 2.557 1.958 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.405 4.129 2.458 1.00 0.00 H new ATOM 588 N LEU A 37 5.683 -0.040 2.671 1.00 0.00 N ATOM 589 CA LEU A 37 4.827 -1.134 3.115 1.00 0.00 C ATOM 590 C LEU A 37 5.590 -2.087 4.030 1.00 0.00 C ATOM 591 O LEU A 37 6.558 -2.722 3.612 1.00 0.00 O ATOM 592 CB LEU A 37 4.275 -1.898 1.911 1.00 0.00 C ATOM 593 CG LEU A 37 2.939 -2.610 2.122 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.814 -1.600 2.287 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.646 -3.552 0.963 1.00 0.00 C ATOM 0 H LEU A 37 6.502 -0.335 2.139 1.00 0.00 H new ATOM 0 HA LEU A 37 3.997 -0.706 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.164 -1.199 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.014 -2.639 1.606 1.00 0.00 H new ATOM 0 HG LEU A 37 3.006 -3.200 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.871 -2.127 2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.017 -0.967 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.746 -0.981 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.691 -4.050 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.600 -2.983 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.437 -4.299 0.892 1.00 0.00 H new ATOM 607 N GLY A 38 5.147 -2.183 5.279 1.00 0.00 N ATOM 608 CA GLY A 38 5.798 -3.062 6.233 1.00 0.00 C ATOM 609 C GLY A 38 4.831 -4.028 6.886 1.00 0.00 C ATOM 610 O GLY A 38 3.749 -3.634 7.322 1.00 0.00 O ATOM 0 H GLY A 38 4.348 -1.667 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.582 -3.625 5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.283 -2.462 7.003 1.00 0.00 H new ATOM 614 N TYR A 39 5.218 -5.297 6.952 1.00 0.00 N ATOM 615 CA TYR A 39 4.375 -6.323 7.553 1.00 0.00 C ATOM 616 C TYR A 39 5.068 -6.965 8.751 1.00 0.00 C ATOM 617 O TYR A 39 6.153 -7.534 8.624 1.00 0.00 O ATOM 618 CB TYR A 39 4.024 -7.394 6.519 1.00 0.00 C ATOM 619 CG TYR A 39 5.224 -7.938 5.778 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.691 -7.320 4.624 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.892 -9.068 6.232 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.787 -7.814 3.943 1.00 0.00 C ATOM 623 CE2 TYR A 39 6.990 -9.568 5.558 1.00 0.00 C ATOM 624 CZ TYR A 39 7.433 -8.937 4.414 1.00 0.00 C ATOM 625 OH TYR A 39 8.526 -9.432 3.740 1.00 0.00 O ATOM 0 H TYR A 39 6.111 -5.640 6.596 1.00 0.00 H new ATOM 0 HA TYR A 39 3.458 -5.847 7.899 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.513 -8.217 7.020 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.322 -6.975 5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.189 -6.439 4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.547 -9.564 7.127 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.136 -7.323 3.047 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.498 -10.448 5.925 1.00 0.00 H new ATOM 0 HH TYR A 39 8.864 -10.226 4.204 1.00 0.00 H new ATOM 635 N TYR A 40 4.434 -6.870 9.914 1.00 0.00 N ATOM 636 CA TYR A 40 4.989 -7.439 11.137 1.00 0.00 C ATOM 637 C TYR A 40 4.185 -8.655 11.585 1.00 0.00 C ATOM 638 O TYR A 40 3.119 -8.945 11.041 1.00 0.00 O ATOM 639 CB TYR A 40 5.009 -6.389 12.249 1.00 0.00 C ATOM 640 CG TYR A 40 5.699 -5.103 11.855 1.00 0.00 C ATOM 641 CD1 TYR A 40 5.161 -4.274 10.878 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.890 -4.717 12.459 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.789 -3.098 10.515 1.00 0.00 C ATOM 644 CE2 TYR A 40 7.523 -3.542 12.103 1.00 0.00 C ATOM 645 CZ TYR A 40 6.969 -2.736 11.130 1.00 0.00 C ATOM 646 OH TYR A 40 7.597 -1.566 10.771 1.00 0.00 O ATOM 0 H TYR A 40 3.535 -6.404 10.036 1.00 0.00 H new ATOM 0 HA TYR A 40 6.010 -7.758 10.929 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.984 -6.166 12.545 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.509 -6.807 13.123 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.237 -4.554 10.394 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.328 -5.346 13.220 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.358 -2.465 9.753 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.447 -3.256 12.584 1.00 0.00 H new ATOM 0 HH TYR A 40 8.415 -1.458 11.300 1.00 0.00 H new ATOM 656 N HIS A 41 4.704 -9.365 12.582 1.00 0.00 N ATOM 657 CA HIS A 41 4.035 -10.550 13.106 1.00 0.00 C ATOM 658 C HIS A 41 2.615 -10.220 13.554 1.00 0.00 C ATOM 659 O HIS A 41 1.656 -10.878 13.149 1.00 0.00 O ATOM 660 CB HIS A 41 4.828 -11.134 14.276 1.00 0.00 C ATOM 661 CG HIS A 41 6.008 -11.953 13.850 1.00 0.00 C ATOM 662 ND1 HIS A 41 6.434 -13.072 14.535 1.00 0.00 N ATOM 663 CD2 HIS A 41 6.852 -11.811 12.802 1.00 0.00 C ATOM 664 CE1 HIS A 41 7.490 -13.581 13.927 1.00 0.00 C ATOM 665 NE2 HIS A 41 7.764 -12.835 12.872 1.00 0.00 N ATOM 0 H HIS A 41 5.586 -9.140 13.043 1.00 0.00 H new ATOM 0 HA HIS A 41 3.982 -11.289 12.307 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.172 -10.320 14.913 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.165 -11.753 14.880 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.815 -11.036 12.050 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.037 -14.458 14.239 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.529 -12.994 12.216 1.00 0.00 H new ATOM 674 N ASP A 42 2.487 -9.196 14.391 1.00 0.00 N ATOM 675 CA ASP A 42 1.183 -8.778 14.894 1.00 0.00 C ATOM 676 C ASP A 42 0.980 -7.279 14.696 1.00 0.00 C ATOM 677 O ASP A 42 1.897 -6.568 14.285 1.00 0.00 O ATOM 678 CB ASP A 42 1.046 -9.132 16.375 1.00 0.00 C ATOM 679 CG ASP A 42 1.590 -10.511 16.693 1.00 0.00 C ATOM 680 OD1 ASP A 42 0.839 -11.497 16.535 1.00 0.00 O ATOM 681 OD2 ASP A 42 2.767 -10.605 17.099 1.00 0.00 O ATOM 0 H ASP A 42 3.270 -8.640 14.735 1.00 0.00 H new ATOM 0 HA ASP A 42 0.416 -9.309 14.330 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.574 -8.389 16.973 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.005 -9.084 16.661 1.00 0.00 H new ATOM 686 N GLU A 43 -0.227 -6.806 14.990 1.00 0.00 N ATOM 687 CA GLU A 43 -0.550 -5.392 14.842 1.00 0.00 C ATOM 688 C GLU A 43 0.458 -4.523 15.587 1.00 0.00 C ATOM 689 O GLU A 43 0.898 -3.489 15.083 1.00 0.00 O ATOM 690 CB GLU A 43 -1.962 -5.112 15.359 1.00 0.00 C ATOM 691 CG GLU A 43 -3.059 -5.659 14.461 1.00 0.00 C ATOM 692 CD GLU A 43 -4.391 -5.781 15.176 1.00 0.00 C ATOM 693 OE1 GLU A 43 -4.978 -4.734 15.520 1.00 0.00 O ATOM 694 OE2 GLU A 43 -4.847 -6.924 15.389 1.00 0.00 O ATOM 0 H GLU A 43 -0.997 -7.381 15.332 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.503 -5.144 13.782 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.068 -5.546 16.353 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.094 -4.035 15.465 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.174 -5.007 13.595 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.761 -6.638 14.085 1.00 0.00 H new ATOM 701 N THR A 44 0.821 -4.949 16.793 1.00 0.00 N ATOM 702 CA THR A 44 1.776 -4.211 17.610 1.00 0.00 C ATOM 703 C THR A 44 2.972 -3.755 16.781 1.00 0.00 C ATOM 704 O THR A 44 3.492 -2.657 16.977 1.00 0.00 O ATOM 705 CB THR A 44 2.279 -5.060 18.793 1.00 0.00 C ATOM 706 OG1 THR A 44 2.741 -6.330 18.322 1.00 0.00 O ATOM 707 CG2 THR A 44 1.175 -5.265 19.819 1.00 0.00 C ATOM 0 H THR A 44 0.467 -5.802 17.226 1.00 0.00 H new ATOM 0 HA THR A 44 1.251 -3.338 17.997 1.00 0.00 H new ATOM 0 HB THR A 44 3.102 -4.528 19.270 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.335 -7.044 18.856 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.553 -5.867 20.645 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.845 -4.297 20.197 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.334 -5.778 19.351 1.00 0.00 H new ATOM 715 N ALA A 45 3.402 -4.605 15.855 1.00 0.00 N ATOM 716 CA ALA A 45 4.535 -4.288 14.995 1.00 0.00 C ATOM 717 C ALA A 45 5.812 -4.117 15.810 1.00 0.00 C ATOM 718 O ALA A 45 6.538 -3.137 15.644 1.00 0.00 O ATOM 719 CB ALA A 45 4.250 -3.030 14.188 1.00 0.00 C ATOM 0 H ALA A 45 2.983 -5.519 15.681 1.00 0.00 H new ATOM 0 HA ALA A 45 4.682 -5.122 14.308 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.105 -2.805 13.550 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.367 -3.187 13.569 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.074 -2.195 14.866 1.00 0.00 H new ATOM 725 N GLN A 46 6.080 -5.076 16.690 1.00 0.00 N ATOM 726 CA GLN A 46 7.270 -5.030 17.532 1.00 0.00 C ATOM 727 C GLN A 46 8.474 -5.619 16.805 1.00 0.00 C ATOM 728 O GLN A 46 9.598 -5.138 16.955 1.00 0.00 O ATOM 729 CB GLN A 46 7.026 -5.789 18.838 1.00 0.00 C ATOM 730 CG GLN A 46 5.949 -5.166 19.711 1.00 0.00 C ATOM 731 CD GLN A 46 5.636 -6.002 20.937 1.00 0.00 C ATOM 732 OE1 GLN A 46 6.485 -6.188 21.809 1.00 0.00 O ATOM 733 NE2 GLN A 46 4.412 -6.511 21.009 1.00 0.00 N ATOM 0 H GLN A 46 5.489 -5.894 16.839 1.00 0.00 H new ATOM 0 HA GLN A 46 7.482 -3.986 17.761 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.744 -6.816 18.605 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.958 -5.835 19.402 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.271 -4.173 20.025 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.040 -5.036 19.123 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.740 -6.331 20.263 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.143 -7.082 21.810 1.00 0.00 H new ATOM 742 N ASP A 47 8.233 -6.662 16.019 1.00 0.00 N ATOM 743 CA ASP A 47 9.298 -7.316 15.268 1.00 0.00 C ATOM 744 C ASP A 47 9.215 -6.962 13.786 1.00 0.00 C ATOM 745 O ASP A 47 8.329 -7.435 13.074 1.00 0.00 O ATOM 746 CB ASP A 47 9.220 -8.833 15.447 1.00 0.00 C ATOM 747 CG ASP A 47 9.942 -9.306 16.693 1.00 0.00 C ATOM 748 OD1 ASP A 47 9.340 -9.249 17.786 1.00 0.00 O ATOM 749 OD2 ASP A 47 11.109 -9.734 16.576 1.00 0.00 O ATOM 0 H ASP A 47 7.309 -7.073 15.885 1.00 0.00 H new ATOM 0 HA ASP A 47 10.253 -6.960 15.655 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.174 -9.137 15.499 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.651 -9.322 14.573 1.00 0.00 H new ATOM 754 N GLU A 48 10.142 -6.126 13.330 1.00 0.00 N ATOM 755 CA GLU A 48 10.172 -5.708 11.933 1.00 0.00 C ATOM 756 C GLU A 48 10.705 -6.825 11.041 1.00 0.00 C ATOM 757 O GLU A 48 11.865 -7.221 11.153 1.00 0.00 O ATOM 758 CB GLU A 48 11.035 -4.455 11.771 1.00 0.00 C ATOM 759 CG GLU A 48 10.963 -3.841 10.383 1.00 0.00 C ATOM 760 CD GLU A 48 12.112 -2.891 10.105 1.00 0.00 C ATOM 761 OE1 GLU A 48 12.417 -2.057 10.982 1.00 0.00 O ATOM 762 OE2 GLU A 48 12.705 -2.983 9.010 1.00 0.00 O ATOM 0 H GLU A 48 10.882 -5.725 13.907 1.00 0.00 H new ATOM 0 HA GLU A 48 9.151 -5.479 11.627 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.723 -3.712 12.504 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.072 -4.707 11.994 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.965 -4.636 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.020 -3.306 10.275 1.00 0.00 H new ATOM 769 N GLU A 49 9.850 -7.328 10.157 1.00 0.00 N ATOM 770 CA GLU A 49 10.235 -8.401 9.247 1.00 0.00 C ATOM 771 C GLU A 49 10.952 -7.843 8.021 1.00 0.00 C ATOM 772 O GLU A 49 12.102 -8.188 7.751 1.00 0.00 O ATOM 773 CB GLU A 49 9.003 -9.198 8.813 1.00 0.00 C ATOM 774 CG GLU A 49 8.590 -10.269 9.809 1.00 0.00 C ATOM 775 CD GLU A 49 7.291 -10.952 9.425 1.00 0.00 C ATOM 776 OE1 GLU A 49 6.246 -10.268 9.405 1.00 0.00 O ATOM 777 OE2 GLU A 49 7.319 -12.168 9.146 1.00 0.00 O ATOM 0 H GLU A 49 8.887 -7.010 10.051 1.00 0.00 H new ATOM 0 HA GLU A 49 10.919 -9.064 9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.170 -8.511 8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.205 -9.667 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.381 -11.016 9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.482 -9.820 10.796 1.00 0.00 H new ATOM 784 N ASP A 50 10.263 -6.980 7.282 1.00 0.00 N ATOM 785 CA ASP A 50 10.832 -6.374 6.085 1.00 0.00 C ATOM 786 C ASP A 50 10.086 -5.095 5.716 1.00 0.00 C ATOM 787 O ASP A 50 9.028 -4.801 6.271 1.00 0.00 O ATOM 788 CB ASP A 50 10.788 -7.360 4.917 1.00 0.00 C ATOM 789 CG ASP A 50 11.877 -8.411 5.005 1.00 0.00 C ATOM 790 OD1 ASP A 50 13.046 -8.080 4.716 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.561 -9.564 5.363 1.00 0.00 O ATOM 0 H ASP A 50 9.309 -6.685 7.492 1.00 0.00 H new ATOM 0 HA ASP A 50 11.871 -6.120 6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.815 -7.850 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.890 -6.813 3.980 1.00 0.00 H new ATOM 796 N ARG A 51 10.646 -4.340 4.777 1.00 0.00 N ATOM 797 CA ARG A 51 10.035 -3.092 4.335 1.00 0.00 C ATOM 798 C ARG A 51 10.206 -2.905 2.831 1.00 0.00 C ATOM 799 O ARG A 51 11.328 -2.841 2.326 1.00 0.00 O ATOM 800 CB ARG A 51 10.650 -1.906 5.081 1.00 0.00 C ATOM 801 CG ARG A 51 9.699 -0.732 5.248 1.00 0.00 C ATOM 802 CD ARG A 51 10.194 0.239 6.308 1.00 0.00 C ATOM 803 NE ARG A 51 9.531 1.537 6.214 1.00 0.00 N ATOM 804 CZ ARG A 51 9.816 2.567 7.004 1.00 0.00 C ATOM 805 NH1 ARG A 51 10.747 2.451 7.940 1.00 0.00 N ATOM 806 NH2 ARG A 51 9.169 3.716 6.857 1.00 0.00 N ATOM 0 H ARG A 51 11.522 -4.570 4.307 1.00 0.00 H new ATOM 0 HA ARG A 51 8.969 -3.140 4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.980 -2.238 6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.537 -1.570 4.544 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.592 -0.211 4.297 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.710 -1.099 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.021 -0.185 7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.270 0.373 6.202 1.00 0.00 H new ATOM 0 HE ARG A 51 8.810 1.660 5.503 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.247 1.569 8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.964 3.243 8.545 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.452 3.809 6.137 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.388 4.506 7.464 1.00 0.00 H new ATOM 820 N VAL A 52 9.087 -2.818 2.119 1.00 0.00 N ATOM 821 CA VAL A 52 9.113 -2.638 0.672 1.00 0.00 C ATOM 822 C VAL A 52 8.569 -1.269 0.279 1.00 0.00 C ATOM 823 O VAL A 52 7.507 -0.854 0.743 1.00 0.00 O ATOM 824 CB VAL A 52 8.295 -3.728 -0.044 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.911 -5.099 0.190 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.847 -3.699 0.421 1.00 0.00 C ATOM 0 H VAL A 52 8.151 -2.869 2.521 1.00 0.00 H new ATOM 0 HA VAL A 52 10.155 -2.714 0.362 1.00 0.00 H new ATOM 0 HB VAL A 52 8.313 -3.526 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.319 -5.856 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.930 -5.111 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.926 -5.314 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.283 -4.476 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.806 -3.875 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.412 -2.725 0.196 1.00 0.00 H new ATOM 836 N VAL A 53 9.305 -0.570 -0.580 1.00 0.00 N ATOM 837 CA VAL A 53 8.896 0.752 -1.038 1.00 0.00 C ATOM 838 C VAL A 53 7.613 0.677 -1.859 1.00 0.00 C ATOM 839 O VAL A 53 7.450 -0.213 -2.694 1.00 0.00 O ATOM 840 CB VAL A 53 9.996 1.418 -1.885 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.547 2.791 -2.361 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.291 1.516 -1.093 1.00 0.00 C ATOM 0 H VAL A 53 10.188 -0.898 -0.972 1.00 0.00 H new ATOM 0 HA VAL A 53 8.719 1.355 -0.147 1.00 0.00 H new ATOM 0 HB VAL A 53 10.179 0.799 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.338 3.246 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.647 2.689 -2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.334 3.423 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.058 1.989 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.125 2.113 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.620 0.517 -0.808 1.00 0.00 H new ATOM 852 N ILE A 54 6.706 1.618 -1.617 1.00 0.00 N ATOM 853 CA ILE A 54 5.439 1.659 -2.335 1.00 0.00 C ATOM 854 C ILE A 54 5.427 2.783 -3.365 1.00 0.00 C ATOM 855 O ILE A 54 4.947 2.608 -4.486 1.00 0.00 O ATOM 856 CB ILE A 54 4.252 1.848 -1.372 1.00 0.00 C ATOM 857 CG1 ILE A 54 4.092 0.617 -0.477 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.973 2.112 -2.152 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.930 -0.674 -1.249 1.00 0.00 C ATOM 0 H ILE A 54 6.826 2.362 -0.929 1.00 0.00 H new ATOM 0 HA ILE A 54 5.334 0.701 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 54 4.452 2.712 -0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.963 0.535 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.224 0.757 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.144 2.243 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.092 3.015 -2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.766 1.267 -2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.822 -1.504 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.043 -0.612 -1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.808 -0.837 -1.873 1.00 0.00 H new ATOM 871 N HIS A 55 5.960 3.938 -2.979 1.00 0.00 N ATOM 872 CA HIS A 55 6.014 5.091 -3.870 1.00 0.00 C ATOM 873 C HIS A 55 6.709 4.734 -5.180 1.00 0.00 C ATOM 874 O HIS A 55 7.873 4.331 -5.187 1.00 0.00 O ATOM 875 CB HIS A 55 6.741 6.253 -3.193 1.00 0.00 C ATOM 876 CG HIS A 55 6.471 7.582 -3.829 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.433 8.561 -3.964 1.00 0.00 N ATOM 878 CD2 HIS A 55 5.340 8.090 -4.370 1.00 0.00 C ATOM 879 CE1 HIS A 55 6.904 9.615 -4.559 1.00 0.00 C ATOM 880 NE2 HIS A 55 5.635 9.355 -4.816 1.00 0.00 N ATOM 0 H HIS A 55 6.361 4.100 -2.055 1.00 0.00 H new ATOM 0 HA HIS A 55 4.991 5.394 -4.093 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.445 6.294 -2.145 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.814 6.061 -3.214 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.383 7.593 -4.438 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.421 10.533 -4.795 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.980 9.991 -5.272 1.00 0.00 H new ATOM 889 N PHE A 56 5.990 4.884 -6.287 1.00 0.00 N ATOM 890 CA PHE A 56 6.537 4.575 -7.603 1.00 0.00 C ATOM 891 C PHE A 56 7.422 3.333 -7.546 1.00 0.00 C ATOM 892 O PHE A 56 8.536 3.327 -8.068 1.00 0.00 O ATOM 893 CB PHE A 56 7.341 5.763 -8.136 1.00 0.00 C ATOM 894 CG PHE A 56 6.487 6.932 -8.537 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.552 6.808 -9.552 1.00 0.00 C ATOM 896 CD2 PHE A 56 6.619 8.155 -7.899 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.766 7.883 -9.924 1.00 0.00 C ATOM 898 CE2 PHE A 56 5.836 9.233 -8.266 1.00 0.00 C ATOM 899 CZ PHE A 56 4.907 9.096 -9.279 1.00 0.00 C ATOM 0 H PHE A 56 5.026 5.218 -6.299 1.00 0.00 H new ATOM 0 HA PHE A 56 5.704 4.376 -8.278 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.048 6.085 -7.372 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.927 5.439 -8.996 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.436 5.861 -10.058 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.343 8.267 -7.105 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.042 7.774 -10.718 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.950 10.181 -7.762 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.292 9.936 -9.566 1.00 0.00 H new ATOM 909 N ASN A 57 6.917 2.283 -6.907 1.00 0.00 N ATOM 910 CA ASN A 57 7.661 1.035 -6.780 1.00 0.00 C ATOM 911 C ASN A 57 6.849 -0.140 -7.320 1.00 0.00 C ATOM 912 O ASN A 57 7.398 -1.065 -7.918 1.00 0.00 O ATOM 913 CB ASN A 57 8.031 0.784 -5.317 1.00 0.00 C ATOM 914 CG ASN A 57 9.323 0.002 -5.174 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.382 0.446 -5.616 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.239 -1.169 -4.553 1.00 0.00 N ATOM 0 H ASN A 57 5.996 2.271 -6.469 1.00 0.00 H new ATOM 0 HA ASN A 57 8.574 1.124 -7.369 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.128 1.739 -4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.223 0.239 -4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.075 -1.740 -4.426 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.339 -1.497 -4.203 1.00 0.00 H new ATOM 923 N VAL A 58 5.538 -0.095 -7.103 1.00 0.00 N ATOM 924 CA VAL A 58 4.650 -1.154 -7.569 1.00 0.00 C ATOM 925 C VAL A 58 4.522 -1.136 -9.088 1.00 0.00 C ATOM 926 O VAL A 58 4.014 -0.176 -9.666 1.00 0.00 O ATOM 927 CB VAL A 58 3.248 -1.024 -6.945 1.00 0.00 C ATOM 928 CG1 VAL A 58 2.318 -2.095 -7.495 1.00 0.00 C ATOM 929 CG2 VAL A 58 3.331 -1.107 -5.428 1.00 0.00 C ATOM 0 H VAL A 58 5.068 0.663 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 58 5.093 -2.100 -7.257 1.00 0.00 H new ATOM 0 HB VAL A 58 2.839 -0.049 -7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.332 -1.988 -7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.235 -1.985 -8.576 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.719 -3.081 -7.260 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.332 -1.013 -5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.760 -2.067 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.961 -0.301 -5.053 1.00 0.00 H new ATOM 939 N ARG A 59 4.987 -2.204 -9.728 1.00 0.00 N ATOM 940 CA ARG A 59 4.925 -2.310 -11.180 1.00 0.00 C ATOM 941 C ARG A 59 3.534 -2.743 -11.635 1.00 0.00 C ATOM 942 O ARG A 59 2.965 -2.164 -12.561 1.00 0.00 O ATOM 943 CB ARG A 59 5.971 -3.307 -11.685 1.00 0.00 C ATOM 944 CG ARG A 59 6.342 -3.113 -13.146 1.00 0.00 C ATOM 945 CD ARG A 59 7.421 -2.054 -13.310 1.00 0.00 C ATOM 946 NE ARG A 59 7.791 -1.862 -14.710 1.00 0.00 N ATOM 947 CZ ARG A 59 8.891 -1.226 -15.099 1.00 0.00 C ATOM 948 NH1 ARG A 59 9.724 -0.725 -14.199 1.00 0.00 N ATOM 949 NH2 ARG A 59 9.158 -1.092 -16.392 1.00 0.00 N ATOM 0 H ARG A 59 5.410 -3.007 -9.264 1.00 0.00 H new ATOM 0 HA ARG A 59 5.137 -1.327 -11.600 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.870 -3.217 -11.076 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.592 -4.320 -11.547 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.691 -4.058 -13.562 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.457 -2.823 -13.712 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.068 -1.110 -12.896 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.303 -2.343 -12.738 1.00 0.00 H new ATOM 0 HE ARG A 59 7.171 -2.237 -15.428 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.522 -0.827 -13.204 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.568 -0.237 -14.501 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.519 -1.477 -17.087 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.002 -0.604 -16.690 1.00 0.00 H new ATOM 963 N ASP A 60 2.994 -3.763 -10.979 1.00 0.00 N ATOM 964 CA ASP A 60 1.669 -4.273 -11.315 1.00 0.00 C ATOM 965 C ASP A 60 1.033 -4.966 -10.114 1.00 0.00 C ATOM 966 O ASP A 60 1.716 -5.304 -9.147 1.00 0.00 O ATOM 967 CB ASP A 60 1.757 -5.244 -12.493 1.00 0.00 C ATOM 968 CG ASP A 60 2.433 -4.628 -13.702 1.00 0.00 C ATOM 969 OD1 ASP A 60 3.678 -4.685 -13.780 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.716 -4.089 -14.571 1.00 0.00 O ATOM 0 H ASP A 60 3.453 -4.254 -10.211 1.00 0.00 H new ATOM 0 HA ASP A 60 1.042 -3.428 -11.598 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.307 -6.133 -12.187 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.754 -5.569 -12.768 1.00 0.00 H new ATOM 975 N ILE A 61 -0.278 -5.173 -10.183 1.00 0.00 N ATOM 976 CA ILE A 61 -1.005 -5.826 -9.102 1.00 0.00 C ATOM 977 C ILE A 61 -2.175 -6.643 -9.641 1.00 0.00 C ATOM 978 O ILE A 61 -2.910 -6.191 -10.518 1.00 0.00 O ATOM 979 CB ILE A 61 -1.536 -4.801 -8.082 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.373 -4.125 -7.353 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.469 -5.478 -7.088 1.00 0.00 C ATOM 982 CD1 ILE A 61 -0.789 -2.921 -6.537 1.00 0.00 C ATOM 0 H ILE A 61 -0.858 -4.898 -10.976 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.300 -6.491 -8.604 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.099 -4.036 -8.617 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.105 -4.852 -6.696 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.374 -3.817 -8.085 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.836 -4.741 -6.374 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.312 -5.918 -7.621 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.928 -6.261 -6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.086 -2.493 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.240 -2.176 -7.192 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.513 -3.226 -5.782 1.00 0.00 H new ATOM 994 N LYS A 62 -2.342 -7.849 -9.108 1.00 0.00 N ATOM 995 CA LYS A 62 -3.424 -8.729 -9.532 1.00 0.00 C ATOM 996 C LYS A 62 -4.265 -9.171 -8.339 1.00 0.00 C ATOM 997 O LYS A 62 -3.736 -9.451 -7.263 1.00 0.00 O ATOM 998 CB LYS A 62 -2.859 -9.955 -10.253 1.00 0.00 C ATOM 999 CG LYS A 62 -2.131 -9.620 -11.543 1.00 0.00 C ATOM 1000 CD LYS A 62 -1.440 -10.841 -12.127 1.00 0.00 C ATOM 1001 CE LYS A 62 -0.315 -10.447 -13.072 1.00 0.00 C ATOM 1002 NZ LYS A 62 0.852 -9.883 -12.339 1.00 0.00 N ATOM 0 H LYS A 62 -1.742 -8.239 -8.382 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.063 -8.173 -10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.174 -10.476 -9.584 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.674 -10.644 -10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.840 -9.220 -12.268 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.394 -8.840 -11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.040 -11.455 -11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.168 -11.452 -12.661 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.002 -11.320 -13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.683 -9.713 -13.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.693 -9.911 -12.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.651 -8.898 -12.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.029 -10.446 -11.482 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.578 -9.233 -8.537 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.492 -9.643 -7.478 1.00 0.00 C ATOM 1018 C VAL A 63 -7.527 -10.634 -7.998 1.00 0.00 C ATOM 1019 O VAL A 63 -8.177 -10.393 -9.015 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.221 -8.432 -6.864 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.113 -8.873 -5.713 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.218 -7.386 -6.402 1.00 0.00 C ATOM 0 H VAL A 63 -6.032 -9.004 -9.421 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.888 -10.123 -6.708 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.853 -7.983 -7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.620 -8.005 -5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.854 -9.584 -6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.505 -9.347 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.750 -6.538 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.559 -7.821 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.626 -7.049 -7.253 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.675 -11.752 -7.294 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.633 -12.764 -7.700 1.00 0.00 C ATOM 1034 C GLY A 64 -8.208 -13.492 -8.959 1.00 0.00 C ATOM 1035 O GLY A 64 -7.075 -13.961 -9.060 1.00 0.00 O ATOM 0 H GLY A 64 -7.148 -11.975 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.760 -13.485 -6.892 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.604 -12.296 -7.865 1.00 0.00 H new ATOM 1039 N GLN A 65 -9.120 -13.588 -9.922 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.833 -14.267 -11.180 1.00 0.00 C ATOM 1041 C GLN A 65 -7.468 -13.856 -11.722 1.00 0.00 C ATOM 1042 O GLN A 65 -6.666 -14.702 -12.114 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.919 -13.955 -12.211 1.00 0.00 C ATOM 1044 CG GLN A 65 -11.209 -14.730 -11.989 1.00 0.00 C ATOM 1045 CD GLN A 65 -11.002 -16.231 -12.028 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -10.402 -16.763 -12.962 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -11.499 -16.923 -11.009 1.00 0.00 N ATOM 0 H GLN A 65 -10.063 -13.204 -9.855 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.820 -15.340 -10.990 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.137 -12.887 -12.185 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.538 -14.178 -13.207 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.635 -14.451 -11.025 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.934 -14.447 -12.752 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.989 -16.441 -10.256 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.390 -17.937 -10.980 1.00 0.00 H new ATOM 1056 N GLU A 66 -7.213 -12.551 -11.741 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.945 -12.029 -12.236 1.00 0.00 C ATOM 1058 C GLU A 66 -4.781 -12.906 -11.785 1.00 0.00 C ATOM 1059 O GLU A 66 -3.951 -13.320 -12.595 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.735 -10.593 -11.750 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.857 -9.647 -12.141 1.00 0.00 C ATOM 1062 CD GLU A 66 -6.438 -8.191 -12.087 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -5.409 -7.846 -12.706 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -7.138 -7.396 -11.426 1.00 0.00 O ATOM 0 H GLU A 66 -7.867 -11.837 -11.420 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.980 -12.035 -13.325 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.636 -10.597 -10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.796 -10.216 -12.154 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.195 -9.887 -13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.706 -9.802 -11.475 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.728 -13.185 -10.487 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.665 -14.012 -9.926 1.00 0.00 C ATOM 1073 C CYS A 67 -3.539 -15.326 -10.690 1.00 0.00 C ATOM 1074 O CYS A 67 -4.540 -15.941 -11.055 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.935 -14.292 -8.447 1.00 0.00 C ATOM 1076 SG CYS A 67 -3.798 -12.836 -7.384 1.00 0.00 S ATOM 0 H CYS A 67 -5.408 -12.851 -9.804 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.726 -13.467 -10.019 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.936 -14.711 -8.344 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.235 -15.051 -8.098 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.413 -13.200 -6.197 1.00 0.00 H new ATOM 1082 N GLN A 68 -2.302 -15.749 -10.929 1.00 0.00 N ATOM 1083 CA GLN A 68 -2.045 -16.990 -11.651 1.00 0.00 C ATOM 1084 C GLN A 68 -0.967 -17.813 -10.954 1.00 0.00 C ATOM 1085 O GLN A 68 -0.088 -17.266 -10.287 1.00 0.00 O ATOM 1086 CB GLN A 68 -1.622 -16.688 -13.090 1.00 0.00 C ATOM 1087 CG GLN A 68 -1.276 -17.930 -13.896 1.00 0.00 C ATOM 1088 CD GLN A 68 -2.484 -18.803 -14.170 1.00 0.00 C ATOM 1089 OE1 GLN A 68 -3.147 -19.273 -13.245 1.00 0.00 O ATOM 1090 NE2 GLN A 68 -2.777 -19.025 -15.446 1.00 0.00 N ATOM 0 H GLN A 68 -1.462 -15.251 -10.634 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.967 -17.571 -11.664 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.428 -16.152 -13.592 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.758 -16.023 -13.074 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.827 -17.630 -14.843 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.527 -18.511 -13.358 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.200 -18.615 -16.181 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.579 -19.605 -15.692 1.00 0.00 H new ATOM 1099 N ASP A 69 -1.041 -19.130 -11.112 1.00 0.00 N ATOM 1100 CA ASP A 69 -0.071 -20.029 -10.498 1.00 0.00 C ATOM 1101 C ASP A 69 -0.137 -19.943 -8.977 1.00 0.00 C ATOM 1102 O ASP A 69 0.877 -20.079 -8.292 1.00 0.00 O ATOM 1103 CB ASP A 69 1.342 -19.695 -10.979 1.00 0.00 C ATOM 1104 CG ASP A 69 2.248 -20.910 -11.003 1.00 0.00 C ATOM 1105 OD1 ASP A 69 1.817 -21.962 -11.520 1.00 0.00 O ATOM 1106 OD2 ASP A 69 3.389 -20.809 -10.505 1.00 0.00 O ATOM 0 H ASP A 69 -1.763 -19.599 -11.660 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.317 -21.048 -10.797 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.290 -19.265 -11.979 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.774 -18.936 -10.327 1.00 0.00 H new ATOM 1111 N VAL A 70 -1.338 -19.717 -8.454 1.00 0.00 N ATOM 1112 CA VAL A 70 -1.538 -19.613 -7.013 1.00 0.00 C ATOM 1113 C VAL A 70 -2.862 -20.241 -6.595 1.00 0.00 C ATOM 1114 O VAL A 70 -3.871 -20.102 -7.286 1.00 0.00 O ATOM 1115 CB VAL A 70 -1.508 -18.145 -6.547 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -1.695 -18.060 -5.040 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -0.207 -17.479 -6.969 1.00 0.00 C ATOM 0 H VAL A 70 -2.188 -19.602 -9.007 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.718 -20.153 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.333 -17.614 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.671 -17.016 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.655 -18.498 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.893 -18.605 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.203 -16.443 -6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.635 -18.009 -6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.119 -17.507 -8.055 1.00 0.00 H new ATOM 1127 N GLN A 71 -2.852 -20.931 -5.459 1.00 0.00 N ATOM 1128 CA GLN A 71 -4.053 -21.581 -4.949 1.00 0.00 C ATOM 1129 C GLN A 71 -4.418 -21.044 -3.569 1.00 0.00 C ATOM 1130 O GLN A 71 -3.582 -20.957 -2.669 1.00 0.00 O ATOM 1131 CB GLN A 71 -3.851 -23.095 -4.884 1.00 0.00 C ATOM 1132 CG GLN A 71 -4.015 -23.790 -6.226 1.00 0.00 C ATOM 1133 CD GLN A 71 -3.263 -23.090 -7.341 1.00 0.00 C ATOM 1134 OE1 GLN A 71 -2.104 -22.709 -7.180 1.00 0.00 O ATOM 1135 NE2 GLN A 71 -3.921 -22.917 -8.481 1.00 0.00 N ATOM 0 H GLN A 71 -2.025 -21.054 -4.874 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.873 -21.361 -5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.854 -23.304 -4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.564 -23.518 -4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.662 -24.818 -6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.074 -23.836 -6.480 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.881 -23.249 -8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.466 -22.452 -9.267 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.695 -20.675 -3.396 1.00 0.00 N ATOM 1145 CA PRO A 72 -6.200 -20.141 -2.127 1.00 0.00 C ATOM 1146 C PRO A 72 -6.255 -21.201 -1.033 1.00 0.00 C ATOM 1147 O PRO A 72 -6.524 -22.375 -1.286 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.610 -19.662 -2.480 1.00 0.00 C ATOM 1149 CG PRO A 72 -8.010 -20.491 -3.651 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.746 -20.751 -4.424 1.00 0.00 C ATOM 0 HA PRO A 72 -5.556 -19.357 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.296 -19.800 -1.644 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.617 -18.600 -2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.470 -21.425 -3.329 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.744 -19.970 -4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.765 -21.728 -4.908 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.595 -20.009 -5.208 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.995 -20.780 0.214 1.00 0.00 N ATOM 1159 CA PRO A 73 -6.010 -21.678 1.372 1.00 0.00 C ATOM 1160 C PRO A 73 -7.418 -22.151 1.721 1.00 0.00 C ATOM 1161 O PRO A 73 -8.402 -21.646 1.183 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.443 -20.812 2.500 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.743 -19.412 2.091 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.667 -19.394 0.589 1.00 0.00 C ATOM 0 HA PRO A 73 -5.441 -22.589 1.188 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.908 -21.053 3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.371 -20.969 2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.732 -19.108 2.435 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.026 -18.716 2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.373 -18.684 0.159 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.675 -19.107 0.240 1.00 0.00 H new ATOM 1172 N GLU A 74 -7.504 -23.123 2.624 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.792 -23.663 3.043 1.00 0.00 C ATOM 1174 C GLU A 74 -9.662 -22.575 3.664 1.00 0.00 C ATOM 1175 O GLU A 74 -9.220 -21.838 4.545 1.00 0.00 O ATOM 1176 CB GLU A 74 -8.590 -24.804 4.042 1.00 0.00 C ATOM 1177 CG GLU A 74 -9.776 -25.750 4.133 1.00 0.00 C ATOM 1178 CD GLU A 74 -9.996 -26.535 2.855 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -9.006 -27.063 2.306 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -11.156 -26.620 2.402 1.00 0.00 O ATOM 0 H GLU A 74 -6.698 -23.552 3.079 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.301 -24.049 2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.704 -25.372 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.396 -24.382 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.620 -26.444 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.675 -25.178 4.363 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.904 -22.480 3.199 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.817 -21.480 3.719 1.00 0.00 C ATOM 1189 C GLY A 75 -11.866 -20.234 2.856 1.00 0.00 C ATOM 1190 O GLY A 75 -12.931 -19.844 2.377 1.00 0.00 O ATOM 0 H GLY A 75 -11.294 -23.078 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.817 -21.908 3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.514 -21.206 4.730 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.710 -19.608 2.658 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.626 -18.398 1.849 1.00 0.00 C ATOM 1196 C ARG A 76 -11.297 -18.602 0.494 1.00 0.00 C ATOM 1197 O ARG A 76 -11.884 -19.652 0.232 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.164 -17.992 1.651 1.00 0.00 C ATOM 1199 CG ARG A 76 -8.634 -17.073 2.739 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.235 -17.410 4.095 1.00 0.00 C ATOM 1201 NE ARG A 76 -10.464 -16.663 4.350 1.00 0.00 N ATOM 1202 CZ ARG A 76 -11.354 -17.006 5.275 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -11.152 -18.078 6.028 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -12.448 -16.276 5.448 1.00 0.00 N ATOM 0 H ARG A 76 -9.820 -19.919 3.047 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.149 -17.601 2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.548 -18.891 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.061 -17.496 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.548 -17.156 2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.863 -16.038 2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.444 -18.479 4.143 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.509 -17.191 4.878 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.649 -15.833 3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.312 -18.642 5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.837 -18.339 6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.607 -15.450 4.871 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.130 -16.540 6.158 1.00 0.00 H new ATOM 1218 N SER A 77 -11.206 -17.591 -0.364 1.00 0.00 N ATOM 1219 CA SER A 77 -11.808 -17.657 -1.690 1.00 0.00 C ATOM 1220 C SER A 77 -10.770 -17.372 -2.772 1.00 0.00 C ATOM 1221 O SER A 77 -9.655 -16.942 -2.480 1.00 0.00 O ATOM 1222 CB SER A 77 -12.963 -16.660 -1.800 1.00 0.00 C ATOM 1223 OG SER A 77 -13.982 -16.953 -0.860 1.00 0.00 O ATOM 0 H SER A 77 -10.721 -16.716 -0.164 1.00 0.00 H new ATOM 0 HA SER A 77 -12.194 -18.666 -1.837 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.591 -15.649 -1.635 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.376 -16.687 -2.808 1.00 0.00 H new ATOM 0 HG SER A 77 -14.707 -16.300 -0.950 1.00 0.00 H new ATOM 1229 N ARG A 78 -11.147 -17.616 -4.023 1.00 0.00 N ATOM 1230 CA ARG A 78 -10.250 -17.388 -5.149 1.00 0.00 C ATOM 1231 C ARG A 78 -10.068 -15.894 -5.405 1.00 0.00 C ATOM 1232 O ARG A 78 -8.957 -15.429 -5.660 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.793 -18.069 -6.407 1.00 0.00 C ATOM 1234 CG ARG A 78 -10.329 -19.507 -6.569 1.00 0.00 C ATOM 1235 CD ARG A 78 -10.304 -19.923 -8.032 1.00 0.00 C ATOM 1236 NE ARG A 78 -9.972 -21.336 -8.193 1.00 0.00 N ATOM 1237 CZ ARG A 78 -9.885 -21.940 -9.373 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -10.106 -21.259 -10.488 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -9.578 -23.230 -9.438 1.00 0.00 N ATOM 0 H ARG A 78 -12.067 -17.971 -4.282 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.280 -17.818 -4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.882 -18.049 -6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.485 -17.496 -7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.333 -19.620 -6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.992 -20.169 -6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.277 -19.726 -8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.575 -19.316 -8.569 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.797 -21.889 -7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.344 -20.268 -10.442 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.038 -21.726 -11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.409 -23.758 -8.582 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.511 -23.693 -10.344 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.165 -15.149 -5.335 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.127 -13.709 -5.559 1.00 0.00 C ATOM 1255 C ASP A 79 -10.227 -13.024 -4.535 1.00 0.00 C ATOM 1256 O ASP A 79 -9.576 -12.024 -4.836 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.538 -13.122 -5.488 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.529 -13.897 -6.334 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.972 -14.977 -5.890 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -13.864 -13.422 -7.439 1.00 0.00 O ATOM 0 H ASP A 79 -12.092 -15.519 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.718 -13.532 -6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.875 -13.117 -4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.514 -12.084 -5.820 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.196 -13.569 -3.323 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.373 -12.997 -2.273 1.00 0.00 C ATOM 1267 C GLY A 80 -7.917 -12.880 -2.676 1.00 0.00 C ATOM 1268 O GLY A 80 -7.237 -11.923 -2.304 1.00 0.00 O ATOM 0 H GLY A 80 -10.726 -14.396 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.755 -12.010 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.450 -13.614 -1.378 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.435 -13.857 -3.436 1.00 0.00 N ATOM 1273 CA LEU A 81 -6.048 -13.861 -3.889 1.00 0.00 C ATOM 1274 C LEU A 81 -5.591 -12.453 -4.256 1.00 0.00 C ATOM 1275 O LEU A 81 -6.359 -11.664 -4.807 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.887 -14.792 -5.093 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.538 -16.246 -4.774 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.350 -16.742 -3.588 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.774 -17.130 -5.991 1.00 0.00 C ATOM 0 H LEU A 81 -7.984 -14.657 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.425 -14.223 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.815 -14.779 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.109 -14.386 -5.740 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.481 -16.297 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.088 -17.779 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.132 -16.127 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.413 -16.677 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.520 -18.161 -5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.822 -17.074 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.148 -16.789 -6.816 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.336 -12.146 -3.948 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.775 -10.833 -4.247 1.00 0.00 C ATOM 1293 C LEU A 82 -2.265 -10.919 -4.446 1.00 0.00 C ATOM 1294 O LEU A 82 -1.523 -11.255 -3.522 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.097 -9.850 -3.120 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.204 -8.611 -3.034 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -3.606 -7.590 -4.088 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.273 -8.000 -1.643 1.00 0.00 C ATOM 0 H LEU A 82 -3.688 -12.788 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.225 -10.475 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.130 -9.521 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.036 -10.383 -2.171 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.174 -8.914 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.960 -6.715 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.504 -8.031 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.642 -7.291 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.632 -7.120 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.301 -7.711 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.936 -8.731 -0.908 1.00 0.00 H new ATOM 1310 N THR A 83 -1.814 -10.611 -5.658 1.00 0.00 N ATOM 1311 CA THR A 83 -0.393 -10.652 -5.979 1.00 0.00 C ATOM 1312 C THR A 83 0.120 -9.274 -6.380 1.00 0.00 C ATOM 1313 O THR A 83 -0.392 -8.657 -7.315 1.00 0.00 O ATOM 1314 CB THR A 83 -0.103 -11.647 -7.118 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.709 -12.912 -6.830 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.396 -11.829 -7.309 1.00 0.00 C ATOM 0 H THR A 83 -2.413 -10.330 -6.434 1.00 0.00 H new ATOM 0 HA THR A 83 0.125 -10.981 -5.078 1.00 0.00 H new ATOM 0 HB THR A 83 -0.525 -11.244 -8.039 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.674 -12.857 -6.994 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.576 -12.536 -8.119 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.850 -10.870 -7.557 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.836 -12.212 -6.388 1.00 0.00 H new ATOM 1324 N VAL A 84 1.136 -8.795 -5.669 1.00 0.00 N ATOM 1325 CA VAL A 84 1.720 -7.490 -5.952 1.00 0.00 C ATOM 1326 C VAL A 84 3.081 -7.631 -6.625 1.00 0.00 C ATOM 1327 O VAL A 84 3.857 -8.527 -6.296 1.00 0.00 O ATOM 1328 CB VAL A 84 1.879 -6.655 -4.668 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.476 -5.293 -4.987 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.541 -6.507 -3.960 1.00 0.00 C ATOM 0 H VAL A 84 1.572 -9.292 -4.892 1.00 0.00 H new ATOM 0 HA VAL A 84 1.035 -6.977 -6.627 1.00 0.00 H new ATOM 0 HB VAL A 84 2.563 -7.177 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.581 -4.717 -4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.456 -5.424 -5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.820 -4.760 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.672 -5.914 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.167 -6.008 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.158 -7.493 -3.696 1.00 0.00 H new ATOM 1340 N ASN A 85 3.363 -6.739 -7.570 1.00 0.00 N ATOM 1341 CA ASN A 85 4.631 -6.765 -8.290 1.00 0.00 C ATOM 1342 C ASN A 85 5.475 -5.540 -7.948 1.00 0.00 C ATOM 1343 O ASN A 85 4.995 -4.407 -8.001 1.00 0.00 O ATOM 1344 CB ASN A 85 4.384 -6.823 -9.799 1.00 0.00 C ATOM 1345 CG ASN A 85 4.131 -8.235 -10.289 1.00 0.00 C ATOM 1346 OD1 ASN A 85 4.907 -8.780 -11.073 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.039 -8.835 -9.827 1.00 0.00 N ATOM 0 H ASN A 85 2.731 -5.990 -7.854 1.00 0.00 H new ATOM 0 HA ASN A 85 5.176 -7.658 -7.984 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.528 -6.196 -10.049 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.246 -6.409 -10.322 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.816 -9.786 -10.121 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.424 -8.345 -9.178 1.00 0.00 H new ATOM 1354 N LEU A 86 6.735 -5.776 -7.600 1.00 0.00 N ATOM 1355 CA LEU A 86 7.648 -4.692 -7.250 1.00 0.00 C ATOM 1356 C LEU A 86 8.531 -4.320 -8.436 1.00 0.00 C ATOM 1357 O LEU A 86 8.692 -5.103 -9.373 1.00 0.00 O ATOM 1358 CB LEU A 86 8.518 -5.096 -6.058 1.00 0.00 C ATOM 1359 CG LEU A 86 7.786 -5.296 -4.730 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.713 -5.920 -3.699 1.00 0.00 C ATOM 1361 CD2 LEU A 86 7.234 -3.972 -4.222 1.00 0.00 C ATOM 0 H LEU A 86 7.148 -6.707 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 86 7.052 -3.821 -6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.035 -6.023 -6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.283 -4.333 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 86 6.950 -5.976 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.175 -6.055 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.060 -6.888 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.569 -5.265 -3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.716 -4.133 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.054 -3.269 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.536 -3.564 -4.953 1.00 0.00 H new ATOM 1373 N ARG A 87 9.103 -3.122 -8.389 1.00 0.00 N ATOM 1374 CA ARG A 87 9.971 -2.646 -9.459 1.00 0.00 C ATOM 1375 C ARG A 87 11.413 -3.089 -9.227 1.00 0.00 C ATOM 1376 O ARG A 87 12.228 -3.088 -10.148 1.00 0.00 O ATOM 1377 CB ARG A 87 9.904 -1.121 -9.560 1.00 0.00 C ATOM 1378 CG ARG A 87 10.497 -0.405 -8.357 1.00 0.00 C ATOM 1379 CD ARG A 87 10.791 1.054 -8.667 1.00 0.00 C ATOM 1380 NE ARG A 87 12.132 1.237 -9.216 1.00 0.00 N ATOM 1381 CZ ARG A 87 13.240 1.165 -8.488 1.00 0.00 C ATOM 1382 NH1 ARG A 87 13.168 0.915 -7.188 1.00 0.00 N ATOM 1383 NH2 ARG A 87 14.424 1.344 -9.060 1.00 0.00 N ATOM 0 H ARG A 87 8.981 -2.462 -7.621 1.00 0.00 H new ATOM 0 HA ARG A 87 9.622 -3.080 -10.396 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.431 -0.801 -10.459 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.863 -0.818 -9.676 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.805 -0.467 -7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.416 -0.905 -8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.054 1.429 -9.377 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.688 1.646 -7.758 1.00 0.00 H new ATOM 0 HE ARG A 87 12.222 1.431 -10.213 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.260 0.777 -6.745 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.021 0.860 -6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.483 1.537 -10.060 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.275 1.289 -8.500 1.00 0.00 H new ATOM 1397 N GLU A 88 11.719 -3.465 -7.989 1.00 0.00 N ATOM 1398 CA GLU A 88 13.063 -3.908 -7.636 1.00 0.00 C ATOM 1399 C GLU A 88 13.380 -5.252 -8.285 1.00 0.00 C ATOM 1400 O GLU A 88 14.463 -5.447 -8.836 1.00 0.00 O ATOM 1401 CB GLU A 88 13.205 -4.017 -6.116 1.00 0.00 C ATOM 1402 CG GLU A 88 12.271 -5.038 -5.489 1.00 0.00 C ATOM 1403 CD GLU A 88 12.886 -6.422 -5.411 1.00 0.00 C ATOM 1404 OE1 GLU A 88 13.809 -6.705 -6.203 1.00 0.00 O ATOM 1405 OE2 GLU A 88 12.446 -7.220 -4.558 1.00 0.00 O ATOM 0 H GLU A 88 11.055 -3.472 -7.215 1.00 0.00 H new ATOM 0 HA GLU A 88 13.772 -3.168 -8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.234 -4.282 -5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.014 -3.041 -5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.999 -4.708 -4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.350 -5.086 -6.069 1.00 0.00 H new ATOM 1412 N GLY A 89 12.428 -6.177 -8.215 1.00 0.00 N ATOM 1413 CA GLY A 89 12.625 -7.491 -8.799 1.00 0.00 C ATOM 1414 C GLY A 89 12.087 -8.602 -7.919 1.00 0.00 C ATOM 1415 O GLY A 89 12.824 -9.509 -7.533 1.00 0.00 O ATOM 0 H GLY A 89 11.523 -6.040 -7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.133 -7.531 -9.771 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.689 -7.652 -8.973 1.00 0.00 H new ATOM 1419 N SER A 90 10.798 -8.532 -7.601 1.00 0.00 N ATOM 1420 CA SER A 90 10.163 -9.537 -6.757 1.00 0.00 C ATOM 1421 C SER A 90 8.654 -9.322 -6.697 1.00 0.00 C ATOM 1422 O SER A 90 8.154 -8.253 -7.047 1.00 0.00 O ATOM 1423 CB SER A 90 10.753 -9.495 -5.346 1.00 0.00 C ATOM 1424 OG SER A 90 10.591 -10.740 -4.688 1.00 0.00 O ATOM 0 H SER A 90 10.173 -7.790 -7.915 1.00 0.00 H new ATOM 0 HA SER A 90 10.355 -10.517 -7.194 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.812 -9.243 -5.399 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.267 -8.709 -4.768 1.00 0.00 H new ATOM 0 HG SER A 90 10.978 -10.688 -3.789 1.00 0.00 H new ATOM 1430 N ARG A 91 7.934 -10.346 -6.251 1.00 0.00 N ATOM 1431 CA ARG A 91 6.482 -10.270 -6.145 1.00 0.00 C ATOM 1432 C ARG A 91 6.016 -10.675 -4.750 1.00 0.00 C ATOM 1433 O ARG A 91 6.750 -11.324 -4.003 1.00 0.00 O ATOM 1434 CB ARG A 91 5.826 -11.170 -7.195 1.00 0.00 C ATOM 1435 CG ARG A 91 6.215 -12.634 -7.071 1.00 0.00 C ATOM 1436 CD ARG A 91 5.740 -13.439 -8.270 1.00 0.00 C ATOM 1437 NE ARG A 91 6.716 -13.431 -9.357 1.00 0.00 N ATOM 1438 CZ ARG A 91 7.841 -14.137 -9.340 1.00 0.00 C ATOM 1439 NH1 ARG A 91 8.129 -14.906 -8.299 1.00 0.00 N ATOM 1440 NH2 ARG A 91 8.679 -14.077 -10.367 1.00 0.00 N ATOM 0 H ARG A 91 8.332 -11.238 -5.957 1.00 0.00 H new ATOM 0 HA ARG A 91 6.183 -9.237 -6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.743 -11.082 -7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.098 -10.813 -8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.298 -12.718 -6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.786 -13.050 -6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.548 -14.467 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.795 -13.031 -8.629 1.00 0.00 H new ATOM 0 HE ARG A 91 6.523 -12.851 -10.174 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.486 -14.956 -7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.994 -15.447 -8.288 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.460 -13.488 -11.171 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.543 -14.620 -10.353 1.00 0.00 H new ATOM 1454 N LEU A 92 4.793 -10.288 -4.404 1.00 0.00 N ATOM 1455 CA LEU A 92 4.229 -10.609 -3.098 1.00 0.00 C ATOM 1456 C LEU A 92 2.943 -11.417 -3.245 1.00 0.00 C ATOM 1457 O LEU A 92 1.999 -10.986 -3.907 1.00 0.00 O ATOM 1458 CB LEU A 92 3.952 -9.328 -2.310 1.00 0.00 C ATOM 1459 CG LEU A 92 5.150 -8.715 -1.584 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.996 -7.206 -1.479 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.310 -9.334 -0.203 1.00 0.00 C ATOM 0 H LEU A 92 4.173 -9.751 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 92 4.956 -11.212 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.548 -8.583 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.175 -9.538 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 92 6.049 -8.928 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.858 -6.788 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.931 -6.776 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.088 -6.971 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.167 -8.886 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.410 -9.152 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.468 -10.408 -0.302 1.00 0.00 H new ATOM 1473 N HIS A 93 2.914 -12.591 -2.621 1.00 0.00 N ATOM 1474 CA HIS A 93 1.743 -13.458 -2.679 1.00 0.00 C ATOM 1475 C HIS A 93 0.896 -13.313 -1.418 1.00 0.00 C ATOM 1476 O HIS A 93 1.296 -13.743 -0.336 1.00 0.00 O ATOM 1477 CB HIS A 93 2.169 -14.916 -2.856 1.00 0.00 C ATOM 1478 CG HIS A 93 2.440 -15.292 -4.280 1.00 0.00 C ATOM 1479 ND1 HIS A 93 3.670 -15.733 -4.721 1.00 0.00 N ATOM 1480 CD2 HIS A 93 1.630 -15.294 -5.364 1.00 0.00 C ATOM 1481 CE1 HIS A 93 3.605 -15.988 -6.016 1.00 0.00 C ATOM 1482 NE2 HIS A 93 2.378 -15.730 -6.430 1.00 0.00 N ATOM 0 H HIS A 93 3.688 -12.963 -2.070 1.00 0.00 H new ATOM 0 HA HIS A 93 1.141 -13.157 -3.536 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.066 -15.098 -2.264 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.388 -15.565 -2.460 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.589 -15.006 -5.387 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.417 -16.346 -6.631 1.00 0.00 H new ATOM 0 HE2 HIS A 93 2.040 -15.837 -7.387 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.276 -12.704 -1.566 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.179 -12.501 -0.439 1.00 0.00 C ATOM 1493 C LEU A 94 -2.601 -12.923 -0.797 1.00 0.00 C ATOM 1494 O LEU A 94 -2.895 -13.227 -1.954 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.165 -11.034 -0.005 1.00 0.00 C ATOM 1496 CG LEU A 94 0.208 -10.441 0.311 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.120 -8.928 0.441 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.775 -11.056 1.583 1.00 0.00 C ATOM 0 H LEU A 94 -0.622 -12.343 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.832 -13.121 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.623 -10.438 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.795 -10.931 0.878 1.00 0.00 H new ATOM 0 HG LEU A 94 0.882 -10.675 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.107 -8.524 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.241 -8.503 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.569 -8.671 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.753 -10.622 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.102 -10.854 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.877 -12.133 1.452 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.477 -12.938 0.200 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.869 -13.321 -0.010 1.00 0.00 C ATOM 1512 C CYS A 95 -5.785 -12.608 0.978 1.00 0.00 C ATOM 1513 O CYS A 95 -5.574 -12.666 2.189 1.00 0.00 O ATOM 1514 CB CYS A 95 -5.029 -14.836 0.130 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.721 -15.425 -0.116 1.00 0.00 S ATOM 0 H CYS A 95 -3.249 -12.689 1.163 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.153 -13.024 -1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.376 -15.328 -0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.692 -15.136 1.122 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.915 -16.497 0.593 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.802 -11.932 0.453 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.751 -11.207 1.289 1.00 0.00 C ATOM 1523 C ALA A 96 -8.992 -12.049 1.568 1.00 0.00 C ATOM 1524 O ALA A 96 -9.345 -12.928 0.783 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.139 -9.893 0.628 1.00 0.00 C ATOM 0 H ALA A 96 -6.990 -11.871 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.268 -10.993 2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.848 -9.362 1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.249 -9.280 0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.599 -10.094 -0.340 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.648 -11.772 2.691 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.849 -12.506 3.072 1.00 0.00 C ATOM 1533 C GLU A 97 -11.816 -12.616 1.897 1.00 0.00 C ATOM 1534 O GLU A 97 -12.216 -13.713 1.507 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.539 -11.820 4.253 1.00 0.00 C ATOM 1536 CG GLU A 97 -10.753 -11.905 5.551 1.00 0.00 C ATOM 1537 CD GLU A 97 -11.074 -13.156 6.345 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -12.209 -13.260 6.855 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -10.190 -14.031 6.458 1.00 0.00 O ATOM 0 H GLU A 97 -9.369 -11.046 3.351 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.551 -13.511 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.705 -10.771 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.520 -12.271 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.686 -11.884 5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.968 -11.027 6.160 1.00 0.00 H new ATOM 1546 N THR A 98 -12.190 -11.470 1.337 1.00 0.00 N ATOM 1547 CA THR A 98 -13.111 -11.436 0.208 1.00 0.00 C ATOM 1548 C THR A 98 -12.590 -10.527 -0.900 1.00 0.00 C ATOM 1549 O THR A 98 -11.576 -9.849 -0.734 1.00 0.00 O ATOM 1550 CB THR A 98 -14.509 -10.952 0.638 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.415 -9.656 1.240 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.141 -11.928 1.619 1.00 0.00 C ATOM 0 H THR A 98 -11.869 -10.553 1.647 1.00 0.00 H new ATOM 0 HA THR A 98 -13.187 -12.456 -0.168 1.00 0.00 H new ATOM 0 HB THR A 98 -15.139 -10.895 -0.250 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.308 -9.355 1.509 1.00 0.00 H new ATOM 0 HG21 THR A 98 -16.127 -11.565 1.909 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.238 -12.906 1.148 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.511 -12.013 2.505 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.290 -10.518 -2.029 1.00 0.00 N ATOM 1561 CA ARG A 99 -12.897 -9.692 -3.165 1.00 0.00 C ATOM 1562 C ARG A 99 -12.907 -8.212 -2.791 1.00 0.00 C ATOM 1563 O ARG A 99 -12.026 -7.454 -3.195 1.00 0.00 O ATOM 1564 CB ARG A 99 -13.835 -9.936 -4.349 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.281 -9.561 -4.068 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.183 -9.903 -5.243 1.00 0.00 C ATOM 1567 NE ARG A 99 -17.527 -9.355 -5.079 1.00 0.00 N ATOM 1568 CZ ARG A 99 -18.599 -9.842 -5.692 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -18.486 -10.883 -6.506 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -19.789 -9.289 -5.492 1.00 0.00 N ATOM 0 H ARG A 99 -14.132 -11.073 -2.182 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.882 -9.970 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.480 -9.364 -5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.789 -10.989 -4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.627 -10.085 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.347 -8.494 -3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.743 -9.516 -6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.244 -10.986 -5.350 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.649 -8.554 -4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.574 -11.312 -6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -19.311 -11.255 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.881 -8.489 -4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -20.612 -9.664 -5.964 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.910 -7.810 -2.017 1.00 0.00 N ATOM 1585 CA ASP A 100 -14.035 -6.422 -1.588 1.00 0.00 C ATOM 1586 C ASP A 100 -12.760 -5.950 -0.897 1.00 0.00 C ATOM 1587 O ASP A 100 -12.162 -4.949 -1.292 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.229 -6.263 -0.646 1.00 0.00 C ATOM 1589 CG ASP A 100 -15.759 -4.843 -0.618 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -14.942 -3.903 -0.706 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -16.991 -4.671 -0.506 1.00 0.00 O ATOM 0 H ASP A 100 -14.648 -8.426 -1.674 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.196 -5.807 -2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -16.026 -6.939 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.935 -6.558 0.361 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.349 -6.677 0.137 1.00 0.00 N ATOM 1597 CA ASP A 101 -11.145 -6.332 0.883 1.00 0.00 C ATOM 1598 C ASP A 101 -9.922 -6.334 -0.028 1.00 0.00 C ATOM 1599 O ASP A 101 -9.107 -5.412 0.009 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.937 -7.314 2.038 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.712 -6.919 3.280 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -12.940 -7.147 3.312 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -11.091 -6.382 4.221 1.00 0.00 O ATOM 0 H ASP A 101 -12.832 -7.508 0.477 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.273 -5.328 1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.245 -8.311 1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.875 -7.369 2.278 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.799 -7.376 -0.844 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.676 -7.497 -1.765 1.00 0.00 C ATOM 1610 C ALA A 102 -8.560 -6.263 -2.654 1.00 0.00 C ATOM 1611 O ALA A 102 -7.499 -5.645 -2.738 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.823 -8.750 -2.615 1.00 0.00 C ATOM 0 H ALA A 102 -10.464 -8.149 -0.886 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.762 -7.576 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.977 -8.827 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.849 -9.627 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.748 -8.694 -3.188 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.657 -5.912 -3.317 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.677 -4.752 -4.199 1.00 0.00 C ATOM 1620 C ILE A 103 -9.159 -3.509 -3.485 1.00 0.00 C ATOM 1621 O ILE A 103 -8.346 -2.762 -4.028 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.096 -4.472 -4.728 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.633 -5.691 -5.481 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.093 -3.245 -5.628 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.139 -5.819 -5.427 1.00 0.00 C ATOM 0 H ILE A 103 -10.543 -6.414 -3.260 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.023 -4.984 -5.040 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.752 -4.275 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.319 -5.632 -6.523 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.185 -6.592 -5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.103 -3.060 -5.994 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.748 -2.380 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.426 -3.415 -6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.449 -6.705 -5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.459 -5.910 -4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.595 -4.935 -5.871 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.633 -3.294 -2.262 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.214 -2.144 -1.471 1.00 0.00 C ATOM 1639 C ALA A 104 -7.700 -1.971 -1.512 1.00 0.00 C ATOM 1640 O ALA A 104 -7.194 -0.953 -1.985 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.693 -2.289 -0.034 1.00 0.00 C ATOM 0 H ALA A 104 -10.308 -3.902 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.666 -1.252 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.373 -1.423 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.781 -2.354 -0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.269 -3.194 0.401 1.00 0.00 H new ATOM 1647 N TRP A 105 -6.982 -2.971 -1.013 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.524 -2.929 -0.992 1.00 0.00 C ATOM 1649 C TRP A 105 -4.969 -2.600 -2.374 1.00 0.00 C ATOM 1650 O TRP A 105 -4.048 -1.795 -2.509 1.00 0.00 O ATOM 1651 CB TRP A 105 -4.962 -4.266 -0.508 1.00 0.00 C ATOM 1652 CG TRP A 105 -4.891 -4.374 0.986 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.572 -5.255 1.777 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.096 -3.573 1.866 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.248 -5.049 3.096 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.345 -4.023 3.178 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.198 -2.519 1.675 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.727 -3.455 4.289 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.586 -1.957 2.779 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.852 -2.426 4.072 1.00 0.00 C ATOM 0 H TRP A 105 -7.385 -3.820 -0.618 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.218 -2.143 -0.302 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.583 -5.074 -0.895 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -3.964 -4.404 -0.923 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.263 -6.003 1.418 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.620 -5.575 3.887 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -2.986 -2.150 0.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.931 -3.814 5.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.891 -1.142 2.643 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.356 -1.966 4.914 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.535 -3.229 -3.399 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.098 -3.003 -4.771 1.00 0.00 C ATOM 1673 C LYS A 106 -5.133 -1.517 -5.115 1.00 0.00 C ATOM 1674 O LYS A 106 -4.186 -0.980 -5.692 1.00 0.00 O ATOM 1675 CB LYS A 106 -5.984 -3.783 -5.745 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.423 -3.854 -7.155 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.529 -3.967 -8.190 1.00 0.00 C ATOM 1678 CE LYS A 106 -6.088 -3.421 -9.540 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.811 -4.074 -10.666 1.00 0.00 N ATOM 0 H LYS A 106 -6.298 -3.900 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.071 -3.355 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.122 -4.796 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -6.970 -3.319 -5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -4.826 -2.964 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.756 -4.712 -7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.823 -5.011 -8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.408 -3.422 -7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.263 -2.346 -9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.015 -3.573 -9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.482 -3.674 -11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.624 -5.097 -10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.833 -3.907 -10.566 1.00 0.00 H new ATOM 1693 N THR A 107 -6.229 -0.856 -4.756 1.00 0.00 N ATOM 1694 CA THR A 107 -6.386 0.567 -5.027 1.00 0.00 C ATOM 1695 C THR A 107 -5.491 1.402 -4.118 1.00 0.00 C ATOM 1696 O THR A 107 -4.868 2.367 -4.560 1.00 0.00 O ATOM 1697 CB THR A 107 -7.848 1.016 -4.841 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.713 0.218 -5.656 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.013 2.484 -5.204 1.00 0.00 C ATOM 0 H THR A 107 -7.021 -1.284 -4.277 1.00 0.00 H new ATOM 0 HA THR A 107 -6.094 0.725 -6.065 1.00 0.00 H new ATOM 0 HB THR A 107 -8.115 0.885 -3.792 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.641 0.509 -5.531 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.053 2.778 -5.065 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.375 3.091 -4.562 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.729 2.635 -6.245 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.431 1.024 -2.845 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.609 1.736 -1.874 1.00 0.00 C ATOM 1709 C ALA A 108 -3.137 1.704 -2.273 1.00 0.00 C ATOM 1710 O ALA A 108 -2.392 2.649 -2.010 1.00 0.00 O ATOM 1711 CB ALA A 108 -4.795 1.140 -0.487 1.00 0.00 C ATOM 0 H ALA A 108 -5.942 0.229 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.931 2.777 -1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.175 1.681 0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.842 1.220 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.501 0.090 -0.500 1.00 0.00 H new ATOM 1717 N LEU A 109 -2.724 0.612 -2.906 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.340 0.457 -3.340 1.00 0.00 C ATOM 1719 C LEU A 109 -1.096 1.193 -4.654 1.00 0.00 C ATOM 1720 O LEU A 109 -0.156 1.980 -4.770 1.00 0.00 O ATOM 1721 CB LEU A 109 -0.999 -1.025 -3.502 1.00 0.00 C ATOM 1722 CG LEU A 109 -0.940 -1.845 -2.213 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -0.980 -3.333 -2.525 1.00 0.00 C ATOM 1724 CD2 LEU A 109 0.309 -1.499 -1.417 1.00 0.00 C ATOM 0 H LEU A 109 -3.327 -0.179 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.695 0.891 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.738 -1.477 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.034 -1.103 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.812 -1.598 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.937 -3.901 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.904 -3.569 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.127 -3.597 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.334 -2.092 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.194 -1.717 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.296 -0.439 -1.161 1.00 0.00 H new ATOM 1736 N MET A 110 -1.949 0.934 -5.639 1.00 0.00 N ATOM 1737 CA MET A 110 -1.827 1.575 -6.943 1.00 0.00 C ATOM 1738 C MET A 110 -1.794 3.094 -6.801 1.00 0.00 C ATOM 1739 O MET A 110 -0.992 3.768 -7.447 1.00 0.00 O ATOM 1740 CB MET A 110 -2.988 1.161 -7.849 1.00 0.00 C ATOM 1741 CG MET A 110 -2.772 -0.175 -8.541 1.00 0.00 C ATOM 1742 SD MET A 110 -1.918 -0.010 -10.121 1.00 0.00 S ATOM 1743 CE MET A 110 -0.388 -0.872 -9.770 1.00 0.00 C ATOM 0 H MET A 110 -2.732 0.285 -5.559 1.00 0.00 H new ATOM 0 HA MET A 110 -0.890 1.249 -7.394 1.00 0.00 H new ATOM 0 HB2 MET A 110 -3.901 1.110 -7.256 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.141 1.932 -8.604 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.195 -0.829 -7.887 1.00 0.00 H new ATOM 0 HG3 MET A 110 -3.737 -0.656 -8.702 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.250 -0.856 -10.654 1.00 0.00 H new ATOM 0 HE2 MET A 110 0.125 -0.380 -8.944 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.606 -1.905 -9.498 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.670 3.624 -5.954 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.740 5.063 -5.730 1.00 0.00 C ATOM 1755 C GLU A 111 -1.424 5.591 -5.165 1.00 0.00 C ATOM 1756 O GLU A 111 -0.713 6.348 -5.824 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.888 5.397 -4.775 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.210 5.655 -5.479 1.00 0.00 C ATOM 1759 CD GLU A 111 -6.317 6.043 -4.519 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -6.775 5.165 -3.757 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -6.726 7.222 -4.528 1.00 0.00 O ATOM 0 H GLU A 111 -3.341 3.079 -5.412 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.923 5.546 -6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.015 4.574 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.619 6.277 -4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.077 6.449 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.506 4.760 -6.027 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.109 5.185 -3.939 1.00 0.00 N ATOM 1769 CA ALA A 112 0.121 5.614 -3.286 1.00 0.00 C ATOM 1770 C ALA A 112 1.325 5.427 -4.203 1.00 0.00 C ATOM 1771 O ALA A 112 2.248 6.240 -4.205 1.00 0.00 O ATOM 1772 CB ALA A 112 0.322 4.851 -1.985 1.00 0.00 C ATOM 0 H ALA A 112 -1.689 4.560 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 112 0.031 6.677 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.245 5.182 -1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.519 5.041 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.385 3.783 -2.195 1.00 0.00 H new ATOM 1778 N ASN A 113 1.308 4.349 -4.980 1.00 0.00 N ATOM 1779 CA ASN A 113 2.400 4.054 -5.901 1.00 0.00 C ATOM 1780 C ASN A 113 2.535 5.150 -6.953 1.00 0.00 C ATOM 1781 O ASN A 113 3.644 5.546 -7.313 1.00 0.00 O ATOM 1782 CB ASN A 113 2.169 2.703 -6.582 1.00 0.00 C ATOM 1783 CG ASN A 113 2.805 2.634 -7.958 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.996 2.898 -8.117 1.00 0.00 O ATOM 1785 ND2 ASN A 113 2.010 2.276 -8.959 1.00 0.00 N ATOM 0 H ASN A 113 0.551 3.666 -4.990 1.00 0.00 H new ATOM 0 HA ASN A 113 3.325 4.011 -5.327 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.576 1.909 -5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.098 2.522 -6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.381 2.211 -9.907 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.028 2.066 -8.780 1.00 0.00 H new ATOM 1792 N SER A 114 1.399 5.637 -7.443 1.00 0.00 N ATOM 1793 CA SER A 114 1.391 6.685 -8.456 1.00 0.00 C ATOM 1794 C SER A 114 0.758 7.962 -7.911 1.00 0.00 C ATOM 1795 O SER A 114 -0.120 8.553 -8.541 1.00 0.00 O ATOM 1796 CB SER A 114 0.631 6.217 -9.699 1.00 0.00 C ATOM 1797 OG SER A 114 1.326 5.171 -10.356 1.00 0.00 O ATOM 0 H SER A 114 0.473 5.322 -7.155 1.00 0.00 H new ATOM 0 HA SER A 114 2.424 6.899 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 114 -0.364 5.874 -9.414 1.00 0.00 H new ATOM 0 HB3 SER A 114 0.496 7.054 -10.383 1.00 0.00 H new ATOM 0 HG SER A 114 0.820 4.888 -11.146 1.00 0.00 H new ATOM 1803 N THR A 115 1.210 8.384 -6.734 1.00 0.00 N ATOM 1804 CA THR A 115 0.689 9.589 -6.102 1.00 0.00 C ATOM 1805 C THR A 115 1.577 10.031 -4.945 1.00 0.00 C ATOM 1806 O THR A 115 1.668 9.368 -3.912 1.00 0.00 O ATOM 1807 CB THR A 115 -0.745 9.375 -5.581 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.618 9.050 -6.669 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.254 10.620 -4.870 1.00 0.00 C ATOM 0 H THR A 115 1.937 7.908 -6.199 1.00 0.00 H new ATOM 0 HA THR A 115 0.678 10.367 -6.866 1.00 0.00 H new ATOM 0 HB THR A 115 -0.730 8.550 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.174 9.257 -7.518 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.268 10.445 -4.511 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.604 10.848 -4.025 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.255 11.461 -5.564 1.00 0.00 H new ATOM 1817 N PRO A 116 2.248 11.180 -5.118 1.00 0.00 N ATOM 1818 CA PRO A 116 3.140 11.737 -4.098 1.00 0.00 C ATOM 1819 C PRO A 116 2.379 12.252 -2.881 1.00 0.00 C ATOM 1820 O PRO A 116 1.176 12.030 -2.750 1.00 0.00 O ATOM 1821 CB PRO A 116 3.832 12.894 -4.824 1.00 0.00 C ATOM 1822 CG PRO A 116 2.880 13.288 -5.900 1.00 0.00 C ATOM 1823 CD PRO A 116 2.186 12.023 -6.324 1.00 0.00 C ATOM 0 HA PRO A 116 3.829 10.988 -3.707 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.030 13.725 -4.147 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.792 12.584 -5.238 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.162 14.023 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.406 13.744 -6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.157 12.212 -6.630 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.688 11.553 -7.169 1.00 0.00 H new ATOM 1831 N ALA A 117 3.089 12.940 -1.992 1.00 0.00 N ATOM 1832 CA ALA A 117 2.479 13.487 -0.787 1.00 0.00 C ATOM 1833 C ALA A 117 3.417 14.471 -0.095 1.00 0.00 C ATOM 1834 O ALA A 117 4.614 14.530 -0.381 1.00 0.00 O ATOM 1835 CB ALA A 117 2.092 12.366 0.165 1.00 0.00 C ATOM 0 H ALA A 117 4.087 13.131 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 117 1.579 14.027 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.638 12.790 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.379 11.703 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.982 11.801 0.442 1.00 0.00 H new ATOM 1841 N PRO A 118 2.865 15.262 0.836 1.00 0.00 N ATOM 1842 CA PRO A 118 3.635 16.257 1.587 1.00 0.00 C ATOM 1843 C PRO A 118 4.609 15.616 2.570 1.00 0.00 C ATOM 1844 O PRO A 118 5.320 16.310 3.296 1.00 0.00 O ATOM 1845 CB PRO A 118 2.559 17.045 2.339 1.00 0.00 C ATOM 1846 CG PRO A 118 1.416 16.099 2.466 1.00 0.00 C ATOM 1847 CD PRO A 118 1.445 15.245 1.228 1.00 0.00 C ATOM 0 HA PRO A 118 4.254 16.871 0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 118 2.916 17.368 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 118 2.271 17.943 1.792 1.00 0.00 H new ATOM 0 HG2 PRO A 118 1.513 15.488 3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 118 0.471 16.637 2.547 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.096 14.232 1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.807 15.652 0.444 1.00 0.00 H new ATOM 1855 N ALA A 119 4.636 14.287 2.587 1.00 0.00 N ATOM 1856 CA ALA A 119 5.525 13.553 3.478 1.00 0.00 C ATOM 1857 C ALA A 119 6.910 14.189 3.519 1.00 0.00 C ATOM 1858 O ALA A 119 7.337 14.704 4.551 1.00 0.00 O ATOM 1859 CB ALA A 119 5.623 12.098 3.045 1.00 0.00 C ATOM 0 H ALA A 119 4.052 13.697 1.994 1.00 0.00 H new ATOM 0 HA ALA A 119 5.106 13.594 4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 119 6.290 11.562 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.633 11.642 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 119 6.015 12.046 2.029 1.00 0.00 H new ATOM 1865 N GLY A 120 7.608 14.148 2.388 1.00 0.00 N ATOM 1866 CA GLY A 120 8.939 14.724 2.317 1.00 0.00 C ATOM 1867 C GLY A 120 9.866 14.173 3.382 1.00 0.00 C ATOM 1868 O GLY A 120 9.956 14.721 4.480 1.00 0.00 O ATOM 0 H GLY A 120 7.276 13.727 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.364 14.528 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 120 8.869 15.806 2.425 1.00 0.00 H new ATOM 1872 N ALA A 121 10.557 13.084 3.058 1.00 0.00 N ATOM 1873 CA ALA A 121 11.482 12.460 3.995 1.00 0.00 C ATOM 1874 C ALA A 121 12.495 11.584 3.265 1.00 0.00 C ATOM 1875 O ALA A 121 12.421 11.414 2.048 1.00 0.00 O ATOM 1876 CB ALA A 121 10.718 11.640 5.024 1.00 0.00 C ATOM 0 H ALA A 121 10.493 12.616 2.154 1.00 0.00 H new ATOM 0 HA ALA A 121 12.028 13.251 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.422 11.180 5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 121 10.038 12.290 5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 121 10.146 10.862 4.518 1.00 0.00 H new ATOM 1882 N THR A 122 13.442 11.031 4.016 1.00 0.00 N ATOM 1883 CA THR A 122 14.471 10.174 3.440 1.00 0.00 C ATOM 1884 C THR A 122 14.921 9.110 4.435 1.00 0.00 C ATOM 1885 O THR A 122 15.183 9.407 5.601 1.00 0.00 O ATOM 1886 CB THR A 122 15.697 10.993 2.992 1.00 0.00 C ATOM 1887 OG1 THR A 122 15.296 12.005 2.062 1.00 0.00 O ATOM 1888 CG2 THR A 122 16.743 10.093 2.351 1.00 0.00 C ATOM 0 H THR A 122 13.518 11.161 5.025 1.00 0.00 H new ATOM 0 HA THR A 122 14.029 9.689 2.570 1.00 0.00 H new ATOM 0 HB THR A 122 16.135 11.463 3.873 1.00 0.00 H new ATOM 0 HG1 THR A 122 16.080 12.522 1.783 1.00 0.00 H new ATOM 0 HG21 THR A 122 17.599 10.693 2.043 1.00 0.00 H new ATOM 0 HG22 THR A 122 17.067 9.341 3.071 1.00 0.00 H new ATOM 0 HG23 THR A 122 16.313 9.599 1.480 1.00 0.00 H new ATOM 1896 N VAL A 123 15.010 7.869 3.967 1.00 0.00 N ATOM 1897 CA VAL A 123 15.430 6.761 4.816 1.00 0.00 C ATOM 1898 C VAL A 123 15.657 5.496 3.995 1.00 0.00 C ATOM 1899 O VAL A 123 14.872 5.150 3.112 1.00 0.00 O ATOM 1900 CB VAL A 123 14.390 6.468 5.913 1.00 0.00 C ATOM 1901 CG1 VAL A 123 13.096 5.957 5.300 1.00 0.00 C ATOM 1902 CG2 VAL A 123 14.944 5.470 6.919 1.00 0.00 C ATOM 0 H VAL A 123 14.797 7.606 3.005 1.00 0.00 H new ATOM 0 HA VAL A 123 16.367 7.060 5.286 1.00 0.00 H new ATOM 0 HB VAL A 123 14.172 7.397 6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.373 5.756 6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 123 12.692 6.710 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 123 13.293 5.039 4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.196 5.274 7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 123 15.192 4.539 6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 123 15.841 5.880 7.382 1.00 0.00 H new ATOM 1912 N PRO A 124 16.756 4.787 4.293 1.00 0.00 N ATOM 1913 CA PRO A 124 17.111 3.548 3.595 1.00 0.00 C ATOM 1914 C PRO A 124 16.162 2.402 3.928 1.00 0.00 C ATOM 1915 O PRO A 124 15.806 2.196 5.088 1.00 0.00 O ATOM 1916 CB PRO A 124 18.520 3.242 4.109 1.00 0.00 C ATOM 1917 CG PRO A 124 18.589 3.906 5.441 1.00 0.00 C ATOM 1918 CD PRO A 124 17.736 5.139 5.333 1.00 0.00 C ATOM 0 HA PRO A 124 17.052 3.660 2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 124 18.686 2.168 4.193 1.00 0.00 H new ATOM 0 HB3 PRO A 124 19.281 3.631 3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 124 18.222 3.245 6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 124 19.617 4.164 5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 124 17.250 5.375 6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 124 18.325 6.012 5.051 1.00 0.00 H new ATOM 1926 N SER A 125 15.757 1.658 2.904 1.00 0.00 N ATOM 1927 CA SER A 125 14.846 0.534 3.089 1.00 0.00 C ATOM 1928 C SER A 125 15.582 -0.793 2.932 1.00 0.00 C ATOM 1929 O SER A 125 15.660 -1.348 1.837 1.00 0.00 O ATOM 1930 CB SER A 125 13.695 0.613 2.084 1.00 0.00 C ATOM 1931 OG SER A 125 14.180 0.650 0.754 1.00 0.00 O ATOM 0 H SER A 125 16.045 1.813 1.938 1.00 0.00 H new ATOM 0 HA SER A 125 14.442 0.588 4.100 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.038 -0.247 2.211 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.097 1.503 2.281 1.00 0.00 H new ATOM 0 HG SER A 125 14.793 -0.101 0.608 1.00 0.00 H new ATOM 1937 N GLY A 126 16.122 -1.297 4.038 1.00 0.00 N ATOM 1938 CA GLY A 126 16.845 -2.555 4.004 1.00 0.00 C ATOM 1939 C GLY A 126 17.799 -2.643 2.829 1.00 0.00 C ATOM 1940 O GLY A 126 17.482 -3.215 1.786 1.00 0.00 O ATOM 0 H GLY A 126 16.072 -0.856 4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.404 -2.674 4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.133 -3.379 3.953 1.00 0.00 H new ATOM 1944 N PRO A 127 18.999 -2.065 2.991 1.00 0.00 N ATOM 1945 CA PRO A 127 20.026 -2.067 1.946 1.00 0.00 C ATOM 1946 C PRO A 127 20.616 -3.454 1.715 1.00 0.00 C ATOM 1947 O PRO A 127 21.479 -3.637 0.856 1.00 0.00 O ATOM 1948 CB PRO A 127 21.093 -1.117 2.495 1.00 0.00 C ATOM 1949 CG PRO A 127 20.916 -1.163 3.974 1.00 0.00 C ATOM 1950 CD PRO A 127 19.445 -1.367 4.208 1.00 0.00 C ATOM 0 HA PRO A 127 19.624 -1.765 0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 127 22.094 -1.437 2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 127 20.958 -0.106 2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 127 21.497 -1.975 4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 127 21.260 -0.238 4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 127 19.259 -1.961 5.103 1.00 0.00 H new ATOM 0 HD3 PRO A 127 18.924 -0.419 4.341 1.00 0.00 H new ATOM 1958 N SER A 128 20.146 -4.428 2.486 1.00 0.00 N ATOM 1959 CA SER A 128 20.629 -5.799 2.368 1.00 0.00 C ATOM 1960 C SER A 128 20.682 -6.232 0.906 1.00 0.00 C ATOM 1961 O SER A 128 21.750 -6.537 0.375 1.00 0.00 O ATOM 1962 CB SER A 128 19.731 -6.750 3.161 1.00 0.00 C ATOM 1963 OG SER A 128 20.050 -8.102 2.884 1.00 0.00 O ATOM 0 H SER A 128 19.430 -4.294 3.200 1.00 0.00 H new ATOM 0 HA SER A 128 21.638 -5.838 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 128 19.845 -6.558 4.228 1.00 0.00 H new ATOM 0 HB3 SER A 128 18.687 -6.561 2.912 1.00 0.00 H new ATOM 0 HG SER A 128 19.463 -8.690 3.404 1.00 0.00 H new ATOM 1969 N SER A 129 19.521 -6.256 0.260 1.00 0.00 N ATOM 1970 CA SER A 129 19.432 -6.655 -1.140 1.00 0.00 C ATOM 1971 C SER A 129 19.639 -5.456 -2.060 1.00 0.00 C ATOM 1972 O SER A 129 18.700 -4.722 -2.364 1.00 0.00 O ATOM 1973 CB SER A 129 18.075 -7.301 -1.423 1.00 0.00 C ATOM 1974 OG SER A 129 18.038 -7.861 -2.724 1.00 0.00 O ATOM 0 H SER A 129 18.628 -6.004 0.684 1.00 0.00 H new ATOM 0 HA SER A 129 20.220 -7.382 -1.336 1.00 0.00 H new ATOM 0 HB2 SER A 129 17.877 -8.077 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 129 17.286 -6.556 -1.322 1.00 0.00 H new ATOM 0 HG SER A 129 17.161 -8.269 -2.880 1.00 0.00 H new ATOM 1980 N GLY A 130 20.879 -5.264 -2.502 1.00 0.00 N ATOM 1981 CA GLY A 130 21.189 -4.153 -3.383 1.00 0.00 C ATOM 1982 C GLY A 130 21.487 -4.603 -4.800 1.00 0.00 C ATOM 1983 O GLY A 130 22.524 -4.253 -5.364 1.00 0.00 O ATOM 0 H GLY A 130 21.674 -5.858 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 130 20.350 -3.457 -3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 130 22.048 -3.610 -2.989 1.00 0.00 H new TER 1987 GLY A 130