USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 885 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 97 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 59 SER OG : rot -179:sc= 1.06 USER MOD Set 2.2: A 94 HIS : no HE2:sc= -0.652! C(o=0.41!,f=-9.7!) USER MOD Set 3.1: A 52 HIS : no HE2:sc= 0.521 K(o=-1,f=-6.5!) USER MOD Set 3.2: A 77 ASN : amide:sc= -1.57 K(o=-1,f=-3.2!) USER MOD Set 4.1: A 70 LYS NZ :NH3+ -166:sc= 1.22 (180deg=-0.0228) USER MOD Set 4.2: A 75 TYR OH : rot 30:sc= 1.06 USER MOD Set 5.1: A 39 ASN : amide:sc= -1.36 X(o=-1.2,f=-1.1) USER MOD Set 5.2: A 47 THR OG1 : rot 101:sc= 0.149 USER MOD Set 6.1: A 23 THR OG1 : rot -29:sc= 1.59 USER MOD Set 6.2: A 74 HIS : no HE2:sc= -0.939 K(o=0.65,f=-1.7) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.2 (180deg=-0.895) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.0294 (180deg=-0.0889) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 1.18 (180deg=1.08) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.23 K(o=-0.23,f=-3.4!) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 1.18 (180deg=1.06) USER MOD Single : A 26 THR OG1 : rot 19:sc= 0.755 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -159:sc= 1.23 USER MOD Single : A 34 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 150:sc= -1.57! USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.13) USER MOD Single : A 60 SER OG : rot 11:sc= 0.573 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc=0.000822 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -2.01! C(o=-2!,f=-3.5!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -30:sc= 0.159 USER MOD Single : A 87 HIS : no HD1:sc= -1.03 K(o=-1,f=-2.9!) USER MOD Single : A 89 HIS : no HD1:sc= -4.97! C(o=-5!,f=-4.6!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.668 -8.163 11.715 1.00 0.00 N ATOM 2 CA MET A 1 -10.197 -8.647 10.397 1.00 0.00 C ATOM 3 C MET A 1 -9.353 -7.585 9.721 1.00 0.00 C ATOM 4 O MET A 1 -9.593 -6.398 9.899 1.00 0.00 O ATOM 5 CB MET A 1 -11.385 -8.999 9.494 1.00 0.00 C ATOM 6 CG MET A 1 -12.198 -10.186 9.973 1.00 0.00 C ATOM 7 SD MET A 1 -11.268 -11.729 9.923 1.00 0.00 S ATOM 8 CE MET A 1 -10.910 -11.849 8.172 1.00 0.00 C ATOM 0 H1 MET A 1 -10.316 -8.794 12.463 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.312 -7.200 11.879 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.708 -8.155 11.730 1.00 0.00 H new ATOM 0 HA MET A 1 -9.596 -9.542 10.560 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.040 -8.131 9.419 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.015 -9.207 8.490 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.536 -10.003 10.993 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.090 -10.284 9.355 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.666 -12.881 7.920 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.782 -11.533 7.600 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.064 -11.206 7.929 1.00 0.00 H new ATOM 20 N TYR A 2 -8.361 -8.018 8.960 1.00 0.00 N ATOM 21 CA TYR A 2 -7.504 -7.104 8.219 1.00 0.00 C ATOM 22 C TYR A 2 -7.996 -6.945 6.789 1.00 0.00 C ATOM 23 O TYR A 2 -9.065 -7.437 6.429 1.00 0.00 O ATOM 24 CB TYR A 2 -6.068 -7.618 8.200 1.00 0.00 C ATOM 25 CG TYR A 2 -5.284 -7.352 9.465 1.00 0.00 C ATOM 26 CD1 TYR A 2 -5.634 -7.948 10.668 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.183 -6.503 9.448 1.00 0.00 C ATOM 28 CE1 TYR A 2 -4.913 -7.702 11.819 1.00 0.00 C ATOM 29 CE2 TYR A 2 -3.457 -6.255 10.593 1.00 0.00 C ATOM 30 CZ TYR A 2 -3.824 -6.854 11.775 1.00 0.00 C ATOM 31 OH TYR A 2 -3.092 -6.610 12.913 1.00 0.00 O ATOM 0 H TYR A 2 -8.128 -9.003 8.838 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.537 -6.136 8.719 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -6.084 -8.693 8.018 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.544 -7.160 7.361 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.483 -8.614 10.704 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -3.892 -6.030 8.522 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -5.199 -8.170 12.749 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.604 -5.593 10.562 1.00 0.00 H new ATOM 0 HH TYR A 2 -2.360 -5.992 12.705 1.00 0.00 H new ATOM 41 N LEU A 3 -7.200 -6.268 5.974 1.00 0.00 N ATOM 42 CA LEU A 3 -7.527 -6.069 4.573 1.00 0.00 C ATOM 43 C LEU A 3 -6.554 -6.847 3.699 1.00 0.00 C ATOM 44 O LEU A 3 -5.343 -6.637 3.767 1.00 0.00 O ATOM 45 CB LEU A 3 -7.480 -4.581 4.216 1.00 0.00 C ATOM 46 CG LEU A 3 -8.427 -3.689 5.022 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.290 -2.238 4.588 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.868 -4.157 4.871 1.00 0.00 C ATOM 0 H LEU A 3 -6.318 -5.845 6.263 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.538 -6.435 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.460 -4.222 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.714 -4.470 3.157 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.153 -3.763 6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.971 -1.618 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.265 -1.905 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.536 -2.150 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.524 -3.509 5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.156 -4.116 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.958 -5.182 5.232 1.00 0.00 H new ATOM 60 N ARG A 4 -7.091 -7.756 2.896 1.00 0.00 N ATOM 61 CA ARG A 4 -6.286 -8.565 1.988 1.00 0.00 C ATOM 62 C ARG A 4 -5.673 -7.699 0.886 1.00 0.00 C ATOM 63 O ARG A 4 -6.127 -6.578 0.652 1.00 0.00 O ATOM 64 CB ARG A 4 -7.147 -9.679 1.383 1.00 0.00 C ATOM 65 CG ARG A 4 -7.392 -10.848 2.323 1.00 0.00 C ATOM 66 CD ARG A 4 -8.405 -11.825 1.743 1.00 0.00 C ATOM 67 NE ARG A 4 -9.773 -11.321 1.859 1.00 0.00 N ATOM 68 CZ ARG A 4 -10.455 -10.763 0.859 1.00 0.00 C ATOM 69 NH1 ARG A 4 -9.902 -10.633 -0.336 1.00 0.00 N ATOM 70 NH2 ARG A 4 -11.691 -10.326 1.061 1.00 0.00 N ATOM 0 H ARG A 4 -8.091 -7.953 2.855 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.470 -9.016 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.107 -9.260 1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.663 -10.048 0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.452 -11.366 2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.751 -10.476 3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.173 -12.009 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.325 -12.781 2.260 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.235 -11.402 2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.949 -10.961 -0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.428 -10.205 -1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -12.120 -10.417 1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -12.212 -9.899 0.295 1.00 0.00 H new ATOM 84 N PRO A 5 -4.629 -8.208 0.200 1.00 0.00 N ATOM 85 CA PRO A 5 -3.923 -7.469 -0.857 1.00 0.00 C ATOM 86 C PRO A 5 -4.877 -6.911 -1.914 1.00 0.00 C ATOM 87 O PRO A 5 -4.797 -5.738 -2.280 1.00 0.00 O ATOM 88 CB PRO A 5 -2.982 -8.521 -1.475 1.00 0.00 C ATOM 89 CG PRO A 5 -3.452 -9.834 -0.948 1.00 0.00 C ATOM 90 CD PRO A 5 -4.045 -9.541 0.395 1.00 0.00 C ATOM 0 HA PRO A 5 -3.400 -6.599 -0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.027 -8.496 -2.564 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.946 -8.334 -1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.191 -10.281 -1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.627 -10.541 -0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.798 -10.277 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.290 -9.542 1.181 1.00 0.00 H new ATOM 98 N ASP A 6 -5.783 -7.760 -2.387 1.00 0.00 N ATOM 99 CA ASP A 6 -6.771 -7.362 -3.389 1.00 0.00 C ATOM 100 C ASP A 6 -7.661 -6.234 -2.866 1.00 0.00 C ATOM 101 O ASP A 6 -8.023 -5.322 -3.608 1.00 0.00 O ATOM 102 CB ASP A 6 -7.629 -8.563 -3.803 1.00 0.00 C ATOM 103 CG ASP A 6 -8.359 -9.187 -2.630 1.00 0.00 C ATOM 104 OD1 ASP A 6 -7.735 -9.993 -1.904 1.00 0.00 O ATOM 105 OD2 ASP A 6 -9.551 -8.872 -2.426 1.00 0.00 O ATOM 0 H ASP A 6 -5.855 -8.734 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.233 -6.995 -4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.355 -8.246 -4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.994 -9.314 -4.273 1.00 0.00 H new ATOM 110 N GLU A 7 -7.987 -6.291 -1.579 1.00 0.00 N ATOM 111 CA GLU A 7 -8.844 -5.291 -0.952 1.00 0.00 C ATOM 112 C GLU A 7 -8.144 -3.935 -0.941 1.00 0.00 C ATOM 113 O GLU A 7 -8.741 -2.902 -1.268 1.00 0.00 O ATOM 114 CB GLU A 7 -9.189 -5.727 0.477 1.00 0.00 C ATOM 115 CG GLU A 7 -10.300 -4.916 1.113 1.00 0.00 C ATOM 116 CD GLU A 7 -11.599 -5.019 0.345 1.00 0.00 C ATOM 117 OE1 GLU A 7 -12.257 -6.080 0.417 1.00 0.00 O ATOM 118 OE2 GLU A 7 -11.962 -4.049 -0.346 1.00 0.00 O ATOM 0 H GLU A 7 -7.668 -7.025 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.767 -5.200 -1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.479 -6.778 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.295 -5.650 1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.457 -5.259 2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.996 -3.871 1.170 1.00 0.00 H new ATOM 125 N VAL A 8 -6.866 -3.955 -0.582 1.00 0.00 N ATOM 126 CA VAL A 8 -6.045 -2.754 -0.585 1.00 0.00 C ATOM 127 C VAL A 8 -5.982 -2.161 -1.988 1.00 0.00 C ATOM 128 O VAL A 8 -6.103 -0.948 -2.167 1.00 0.00 O ATOM 129 CB VAL A 8 -4.614 -3.056 -0.084 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.757 -1.798 -0.086 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.659 -3.669 1.307 1.00 0.00 C ATOM 0 H VAL A 8 -6.374 -4.797 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.504 -2.034 0.092 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.159 -3.773 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.756 -2.039 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.695 -1.401 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.205 -1.051 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.644 -3.876 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.137 -2.973 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.228 -4.598 1.277 1.00 0.00 H new ATOM 141 N ALA A 9 -5.824 -3.033 -2.978 1.00 0.00 N ATOM 142 CA ALA A 9 -5.774 -2.615 -4.371 1.00 0.00 C ATOM 143 C ALA A 9 -7.065 -1.908 -4.777 1.00 0.00 C ATOM 144 O ALA A 9 -7.027 -0.910 -5.491 1.00 0.00 O ATOM 145 CB ALA A 9 -5.517 -3.810 -5.274 1.00 0.00 C ATOM 0 H ALA A 9 -5.728 -4.039 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.952 -1.909 -4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.482 -3.481 -6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.565 -4.270 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.319 -4.538 -5.151 1.00 0.00 H new ATOM 151 N ARG A 10 -8.202 -2.420 -4.301 1.00 0.00 N ATOM 152 CA ARG A 10 -9.504 -1.817 -4.596 1.00 0.00 C ATOM 153 C ARG A 10 -9.530 -0.355 -4.159 1.00 0.00 C ATOM 154 O ARG A 10 -9.981 0.524 -4.896 1.00 0.00 O ATOM 155 CB ARG A 10 -10.632 -2.569 -3.883 1.00 0.00 C ATOM 156 CG ARG A 10 -10.725 -4.041 -4.240 1.00 0.00 C ATOM 157 CD ARG A 10 -11.840 -4.723 -3.462 1.00 0.00 C ATOM 158 NE ARG A 10 -13.165 -4.252 -3.870 1.00 0.00 N ATOM 159 CZ ARG A 10 -14.255 -4.323 -3.101 1.00 0.00 C ATOM 160 NH1 ARG A 10 -14.157 -4.718 -1.839 1.00 0.00 N ATOM 161 NH2 ARG A 10 -15.440 -3.969 -3.589 1.00 0.00 N ATOM 0 H ARG A 10 -8.248 -3.250 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.657 -1.880 -5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.490 -2.477 -2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.581 -2.089 -4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.905 -4.148 -5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.775 -4.531 -4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.778 -5.801 -3.610 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.703 -4.539 -2.396 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.262 -3.844 -4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.247 -4.969 -1.452 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.992 -4.771 -1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.518 -3.643 -4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.271 -4.024 -3.000 1.00 0.00 H new ATOM 175 N VAL A 11 -9.043 -0.103 -2.952 1.00 0.00 N ATOM 176 CA VAL A 11 -8.998 1.251 -2.419 1.00 0.00 C ATOM 177 C VAL A 11 -8.019 2.112 -3.219 1.00 0.00 C ATOM 178 O VAL A 11 -8.281 3.287 -3.483 1.00 0.00 O ATOM 179 CB VAL A 11 -8.608 1.255 -0.923 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.640 2.667 -0.359 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.533 0.343 -0.130 1.00 0.00 C ATOM 0 H VAL A 11 -8.674 -0.817 -2.324 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.998 1.674 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.589 0.877 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.362 2.644 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.936 3.294 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.645 3.077 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.245 0.357 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.561 0.692 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.457 -0.675 -0.513 1.00 0.00 H new ATOM 191 N LEU A 12 -6.895 1.521 -3.608 1.00 0.00 N ATOM 192 CA LEU A 12 -5.914 2.207 -4.445 1.00 0.00 C ATOM 193 C LEU A 12 -6.516 2.613 -5.793 1.00 0.00 C ATOM 194 O LEU A 12 -6.240 3.700 -6.301 1.00 0.00 O ATOM 195 CB LEU A 12 -4.679 1.327 -4.645 1.00 0.00 C ATOM 196 CG LEU A 12 -3.893 1.021 -3.367 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.734 0.088 -3.664 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.386 2.307 -2.730 1.00 0.00 C ATOM 0 H LEU A 12 -6.639 0.566 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.613 3.120 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.991 0.385 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.013 1.816 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.564 0.527 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.187 -0.118 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.115 -0.846 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.065 0.557 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.830 2.069 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.733 2.827 -3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.232 2.947 -2.480 1.00 0.00 H new ATOM 210 N GLU A 13 -7.342 1.739 -6.365 1.00 0.00 N ATOM 211 CA GLU A 13 -8.048 2.035 -7.607 1.00 0.00 C ATOM 212 C GLU A 13 -8.899 3.296 -7.452 1.00 0.00 C ATOM 213 O GLU A 13 -8.945 4.143 -8.345 1.00 0.00 O ATOM 214 CB GLU A 13 -8.935 0.851 -7.994 1.00 0.00 C ATOM 215 CG GLU A 13 -8.167 -0.422 -8.319 1.00 0.00 C ATOM 216 CD GLU A 13 -7.347 -0.312 -9.587 1.00 0.00 C ATOM 217 OE1 GLU A 13 -7.950 -0.247 -10.681 1.00 0.00 O ATOM 218 OE2 GLU A 13 -6.102 -0.318 -9.502 1.00 0.00 O ATOM 0 H GLU A 13 -7.539 0.814 -5.983 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.314 2.207 -8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.626 0.647 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.537 1.130 -8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.507 -0.664 -7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.871 -1.249 -8.419 1.00 0.00 H new ATOM 225 N LYS A 14 -9.561 3.406 -6.301 1.00 0.00 N ATOM 226 CA LYS A 14 -10.362 4.582 -5.960 1.00 0.00 C ATOM 227 C LYS A 14 -9.503 5.837 -5.978 1.00 0.00 C ATOM 228 O LYS A 14 -9.893 6.878 -6.509 1.00 0.00 O ATOM 229 CB LYS A 14 -10.947 4.413 -4.562 1.00 0.00 C ATOM 230 CG LYS A 14 -11.941 5.498 -4.174 1.00 0.00 C ATOM 231 CD LYS A 14 -12.424 5.327 -2.742 1.00 0.00 C ATOM 232 CE LYS A 14 -13.336 6.469 -2.317 1.00 0.00 C ATOM 233 NZ LYS A 14 -12.605 7.758 -2.185 1.00 0.00 N ATOM 0 H LYS A 14 -9.558 2.685 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.160 4.680 -6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.440 3.443 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.133 4.403 -3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.475 6.477 -4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.794 5.471 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.957 4.381 -2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.566 5.277 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.137 6.582 -3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.805 6.221 -1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.228 8.468 -1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.765 7.621 -1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.309 8.087 -3.126 1.00 0.00 H new ATOM 247 N ALA A 15 -8.335 5.711 -5.369 1.00 0.00 N ATOM 248 CA ALA A 15 -7.384 6.816 -5.247 1.00 0.00 C ATOM 249 C ALA A 15 -6.746 7.187 -6.592 1.00 0.00 C ATOM 250 O ALA A 15 -5.955 8.131 -6.673 1.00 0.00 O ATOM 251 CB ALA A 15 -6.310 6.465 -4.227 1.00 0.00 C ATOM 0 H ALA A 15 -8.015 4.841 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.938 7.691 -4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.605 7.292 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.774 6.282 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.780 5.569 -4.550 1.00 0.00 H new ATOM 257 N GLY A 16 -7.080 6.443 -7.640 1.00 0.00 N ATOM 258 CA GLY A 16 -6.584 6.761 -8.966 1.00 0.00 C ATOM 259 C GLY A 16 -5.220 6.164 -9.240 1.00 0.00 C ATOM 260 O GLY A 16 -4.394 6.768 -9.927 1.00 0.00 O ATOM 0 H GLY A 16 -7.686 5.624 -7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.292 6.397 -9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.531 7.844 -9.079 1.00 0.00 H new ATOM 264 N PHE A 17 -4.980 4.981 -8.697 1.00 0.00 N ATOM 265 CA PHE A 17 -3.704 4.301 -8.873 1.00 0.00 C ATOM 266 C PHE A 17 -3.693 3.413 -10.114 1.00 0.00 C ATOM 267 O PHE A 17 -4.738 3.115 -10.692 1.00 0.00 O ATOM 268 CB PHE A 17 -3.388 3.450 -7.651 1.00 0.00 C ATOM 269 CG PHE A 17 -2.662 4.185 -6.560 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.358 4.933 -5.626 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.281 4.125 -6.469 1.00 0.00 C ATOM 272 CE1 PHE A 17 -2.693 5.606 -4.620 1.00 0.00 C ATOM 273 CE2 PHE A 17 -0.610 4.796 -5.466 1.00 0.00 C ATOM 274 CZ PHE A 17 -1.316 5.539 -4.541 1.00 0.00 C ATOM 0 H PHE A 17 -5.654 4.469 -8.128 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.946 5.074 -9.000 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.320 3.052 -7.248 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.785 2.597 -7.962 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.435 4.991 -5.685 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.723 3.547 -7.191 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.249 6.184 -3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.467 4.740 -5.405 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.793 6.067 -3.757 1.00 0.00 H new ATOM 284 N THR A 18 -2.493 2.998 -10.506 1.00 0.00 N ATOM 285 CA THR A 18 -2.297 2.090 -11.629 1.00 0.00 C ATOM 286 C THR A 18 -1.105 1.179 -11.349 1.00 0.00 C ATOM 287 O THR A 18 -0.140 1.605 -10.722 1.00 0.00 O ATOM 288 CB THR A 18 -2.047 2.863 -12.940 1.00 0.00 C ATOM 289 OG1 THR A 18 -1.174 3.973 -12.682 1.00 0.00 O ATOM 290 CG2 THR A 18 -3.350 3.362 -13.551 1.00 0.00 C ATOM 0 H THR A 18 -1.626 3.284 -10.051 1.00 0.00 H new ATOM 0 HA THR A 18 -3.205 1.498 -11.746 1.00 0.00 H new ATOM 0 HB THR A 18 -1.582 2.182 -13.653 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.014 4.464 -13.515 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.136 3.902 -14.473 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.998 2.513 -13.770 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.850 4.028 -12.848 1.00 0.00 H new ATOM 298 N VAL A 19 -1.164 -0.063 -11.801 1.00 0.00 N ATOM 299 CA VAL A 19 -0.078 -1.010 -11.559 1.00 0.00 C ATOM 300 C VAL A 19 1.084 -0.769 -12.534 1.00 0.00 C ATOM 301 O VAL A 19 0.901 -0.781 -13.752 1.00 0.00 O ATOM 302 CB VAL A 19 -0.576 -2.483 -11.659 1.00 0.00 C ATOM 303 CG1 VAL A 19 -1.151 -2.788 -13.034 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.538 -3.463 -11.327 1.00 0.00 C ATOM 0 H VAL A 19 -1.946 -0.441 -12.335 1.00 0.00 H new ATOM 0 HA VAL A 19 0.282 -0.845 -10.543 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.373 -2.602 -10.925 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.488 -3.824 -13.066 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.994 -2.126 -13.231 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.383 -2.633 -13.792 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.161 -4.483 -11.405 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.363 -3.327 -12.026 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.890 -3.283 -10.311 1.00 0.00 H new ATOM 314 N ASP A 20 2.282 -0.526 -12.003 1.00 0.00 N ATOM 315 CA ASP A 20 3.455 -0.324 -12.855 1.00 0.00 C ATOM 316 C ASP A 20 4.134 -1.648 -13.122 1.00 0.00 C ATOM 317 O ASP A 20 4.666 -1.878 -14.208 1.00 0.00 O ATOM 318 CB ASP A 20 4.473 0.650 -12.241 1.00 0.00 C ATOM 319 CG ASP A 20 5.139 0.134 -10.983 1.00 0.00 C ATOM 320 OD1 ASP A 20 4.504 0.179 -9.917 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.307 -0.303 -11.065 1.00 0.00 O ATOM 0 H ASP A 20 2.466 -0.465 -11.002 1.00 0.00 H new ATOM 0 HA ASP A 20 3.096 0.115 -13.786 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.241 0.871 -12.982 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.970 1.590 -12.014 1.00 0.00 H new ATOM 326 N VAL A 21 4.102 -2.525 -12.140 1.00 0.00 N ATOM 327 CA VAL A 21 4.750 -3.806 -12.270 1.00 0.00 C ATOM 328 C VAL A 21 3.918 -4.906 -11.617 1.00 0.00 C ATOM 329 O VAL A 21 3.455 -4.769 -10.489 1.00 0.00 O ATOM 330 CB VAL A 21 6.177 -3.766 -11.674 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.161 -3.556 -10.164 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.943 -5.016 -12.046 1.00 0.00 C ATOM 0 H VAL A 21 3.634 -2.371 -11.247 1.00 0.00 H new ATOM 0 HA VAL A 21 4.835 -4.034 -13.333 1.00 0.00 H new ATOM 0 HB VAL A 21 6.690 -2.907 -12.106 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.184 -3.535 -9.789 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.670 -2.611 -9.933 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.617 -4.373 -9.689 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.944 -4.970 -11.618 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.422 -5.891 -11.657 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.015 -5.089 -13.131 1.00 0.00 H new ATOM 342 N VAL A 22 3.701 -5.987 -12.342 1.00 0.00 N ATOM 343 CA VAL A 22 2.911 -7.090 -11.824 1.00 0.00 C ATOM 344 C VAL A 22 3.767 -8.346 -11.677 1.00 0.00 C ATOM 345 O VAL A 22 4.294 -8.882 -12.654 1.00 0.00 O ATOM 346 CB VAL A 22 1.670 -7.365 -12.710 1.00 0.00 C ATOM 347 CG1 VAL A 22 2.062 -7.581 -14.166 1.00 0.00 C ATOM 348 CG2 VAL A 22 0.878 -8.552 -12.181 1.00 0.00 C ATOM 0 H VAL A 22 4.058 -6.126 -13.287 1.00 0.00 H new ATOM 0 HA VAL A 22 2.551 -6.804 -10.836 1.00 0.00 H new ATOM 0 HB VAL A 22 1.032 -6.482 -12.667 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.168 -7.771 -14.759 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.565 -6.691 -14.543 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.734 -8.436 -14.239 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.012 -8.725 -12.820 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.511 -9.440 -12.179 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.544 -8.343 -11.165 1.00 0.00 H new ATOM 358 N THR A 23 3.938 -8.788 -10.441 1.00 0.00 N ATOM 359 CA THR A 23 4.705 -9.989 -10.165 1.00 0.00 C ATOM 360 C THR A 23 3.923 -10.897 -9.230 1.00 0.00 C ATOM 361 O THR A 23 3.063 -10.426 -8.485 1.00 0.00 O ATOM 362 CB THR A 23 6.080 -9.660 -9.532 1.00 0.00 C ATOM 363 OG1 THR A 23 5.910 -9.006 -8.265 1.00 0.00 O ATOM 364 CG2 THR A 23 6.907 -8.771 -10.451 1.00 0.00 C ATOM 0 H THR A 23 3.555 -8.331 -9.613 1.00 0.00 H new ATOM 0 HA THR A 23 4.882 -10.493 -11.115 1.00 0.00 H new ATOM 0 HB THR A 23 6.608 -10.602 -9.384 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.068 -8.505 -8.266 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.867 -8.556 -9.982 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.073 -9.282 -11.399 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.374 -7.838 -10.631 1.00 0.00 H new ATOM 372 N ASN A 24 4.221 -12.191 -9.265 1.00 0.00 N ATOM 373 CA ASN A 24 3.549 -13.165 -8.400 1.00 0.00 C ATOM 374 C ASN A 24 3.753 -12.812 -6.933 1.00 0.00 C ATOM 375 O ASN A 24 2.981 -13.223 -6.068 1.00 0.00 O ATOM 376 CB ASN A 24 4.085 -14.580 -8.650 1.00 0.00 C ATOM 377 CG ASN A 24 3.866 -15.073 -10.068 1.00 0.00 C ATOM 378 OD1 ASN A 24 3.868 -14.295 -11.023 1.00 0.00 O ATOM 379 ND2 ASN A 24 3.681 -16.375 -10.214 1.00 0.00 N ATOM 0 H ASN A 24 4.925 -12.595 -9.883 1.00 0.00 H new ATOM 0 HA ASN A 24 2.486 -13.135 -8.637 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.152 -14.599 -8.429 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.603 -15.269 -7.957 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.533 -16.768 -11.144 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.686 -16.986 -9.397 1.00 0.00 H new ATOM 386 N LYS A 25 4.797 -12.037 -6.674 1.00 0.00 N ATOM 387 CA LYS A 25 5.188 -11.677 -5.322 1.00 0.00 C ATOM 388 C LYS A 25 4.446 -10.427 -4.844 1.00 0.00 C ATOM 389 O LYS A 25 4.084 -10.313 -3.672 1.00 0.00 O ATOM 390 CB LYS A 25 6.699 -11.428 -5.286 1.00 0.00 C ATOM 391 CG LYS A 25 7.517 -12.567 -5.884 1.00 0.00 C ATOM 392 CD LYS A 25 7.616 -13.747 -4.935 1.00 0.00 C ATOM 393 CE LYS A 25 8.578 -13.454 -3.796 1.00 0.00 C ATOM 394 NZ LYS A 25 8.538 -14.507 -2.746 1.00 0.00 N ATOM 0 H LYS A 25 5.396 -11.641 -7.398 1.00 0.00 H new ATOM 0 HA LYS A 25 4.927 -12.498 -4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.921 -10.509 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.009 -11.272 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.061 -12.890 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.518 -12.209 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.630 -13.977 -4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.951 -14.629 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.591 -13.373 -4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.331 -12.490 -3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.290 -14.331 -2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.614 -14.488 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.682 -15.439 -3.184 1.00 0.00 H new ATOM 408 N THR A 26 4.198 -9.494 -5.760 1.00 0.00 N ATOM 409 CA THR A 26 3.658 -8.196 -5.380 1.00 0.00 C ATOM 410 C THR A 26 3.176 -7.401 -6.596 1.00 0.00 C ATOM 411 O THR A 26 3.666 -7.587 -7.716 1.00 0.00 O ATOM 412 CB THR A 26 4.722 -7.373 -4.609 1.00 0.00 C ATOM 413 OG1 THR A 26 4.176 -6.129 -4.158 1.00 0.00 O ATOM 414 CG2 THR A 26 5.945 -7.102 -5.476 1.00 0.00 C ATOM 0 H THR A 26 4.361 -9.612 -6.760 1.00 0.00 H new ATOM 0 HA THR A 26 2.799 -8.380 -4.734 1.00 0.00 H new ATOM 0 HB THR A 26 5.026 -7.966 -3.746 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.197 -6.181 -4.160 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.673 -6.523 -4.908 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.392 -8.048 -5.781 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.646 -6.540 -6.361 1.00 0.00 H new ATOM 422 N TYR A 27 2.198 -6.535 -6.364 1.00 0.00 N ATOM 423 CA TYR A 27 1.720 -5.607 -7.378 1.00 0.00 C ATOM 424 C TYR A 27 2.331 -4.235 -7.149 1.00 0.00 C ATOM 425 O TYR A 27 2.048 -3.592 -6.143 1.00 0.00 O ATOM 426 CB TYR A 27 0.197 -5.466 -7.325 1.00 0.00 C ATOM 427 CG TYR A 27 -0.575 -6.711 -7.687 1.00 0.00 C ATOM 428 CD1 TYR A 27 -0.828 -7.025 -9.015 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.074 -7.555 -6.705 1.00 0.00 C ATOM 430 CE1 TYR A 27 -1.554 -8.147 -9.355 1.00 0.00 C ATOM 431 CE2 TYR A 27 -1.799 -8.682 -7.036 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.038 -8.973 -8.364 1.00 0.00 C ATOM 433 OH TYR A 27 -2.762 -10.095 -8.697 1.00 0.00 O ATOM 0 H TYR A 27 1.715 -6.457 -5.469 1.00 0.00 H new ATOM 0 HA TYR A 27 2.012 -6.001 -8.351 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.089 -5.160 -6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.102 -4.663 -7.999 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.450 -6.380 -9.795 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.892 -7.326 -5.665 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.742 -8.377 -10.393 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.177 -9.332 -6.261 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.027 -10.567 -7.880 1.00 0.00 H new ATOM 443 N GLY A 28 3.169 -3.792 -8.066 1.00 0.00 N ATOM 444 CA GLY A 28 3.684 -2.444 -7.990 1.00 0.00 C ATOM 445 C GLY A 28 2.618 -1.454 -8.385 1.00 0.00 C ATOM 446 O GLY A 28 2.047 -1.556 -9.467 1.00 0.00 O ATOM 0 H GLY A 28 3.502 -4.338 -8.860 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.027 -2.235 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.548 -2.340 -8.646 1.00 0.00 H new ATOM 450 N TYR A 29 2.339 -0.511 -7.515 1.00 0.00 N ATOM 451 CA TYR A 29 1.241 0.405 -7.723 1.00 0.00 C ATOM 452 C TYR A 29 1.733 1.845 -7.796 1.00 0.00 C ATOM 453 O TYR A 29 2.138 2.437 -6.795 1.00 0.00 O ATOM 454 CB TYR A 29 0.212 0.210 -6.614 1.00 0.00 C ATOM 455 CG TYR A 29 -1.058 -0.458 -7.095 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.064 -1.797 -7.480 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.247 0.251 -7.181 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.221 -2.407 -7.929 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.406 -0.351 -7.629 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.390 -1.677 -8.002 1.00 0.00 C ATOM 461 OH TYR A 29 -4.544 -2.272 -8.453 1.00 0.00 O ATOM 0 H TYR A 29 2.860 -0.358 -6.652 1.00 0.00 H new ATOM 0 HA TYR A 29 0.766 0.192 -8.681 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.653 -0.391 -5.819 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.036 1.179 -6.181 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.149 -2.368 -7.427 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.267 1.292 -6.893 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.210 -3.447 -8.220 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.323 0.216 -7.687 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.168 -1.583 -8.762 1.00 0.00 H new ATOM 471 N ARG A 30 1.696 2.397 -8.998 1.00 0.00 N ATOM 472 CA ARG A 30 2.232 3.720 -9.257 1.00 0.00 C ATOM 473 C ARG A 30 1.114 4.748 -9.381 1.00 0.00 C ATOM 474 O ARG A 30 -0.025 4.416 -9.726 1.00 0.00 O ATOM 475 CB ARG A 30 3.049 3.716 -10.552 1.00 0.00 C ATOM 476 CG ARG A 30 2.191 3.734 -11.810 1.00 0.00 C ATOM 477 CD ARG A 30 3.029 3.759 -13.077 1.00 0.00 C ATOM 478 NE ARG A 30 2.230 4.152 -14.237 1.00 0.00 N ATOM 479 CZ ARG A 30 1.479 3.313 -14.958 1.00 0.00 C ATOM 480 NH1 ARG A 30 1.422 2.023 -14.652 1.00 0.00 N ATOM 481 NH2 ARG A 30 0.780 3.770 -15.987 1.00 0.00 N ATOM 0 H ARG A 30 1.295 1.941 -9.818 1.00 0.00 H new ATOM 0 HA ARG A 30 2.872 3.989 -8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.709 4.584 -10.559 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.686 2.831 -10.568 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.546 2.855 -11.820 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.539 4.607 -11.790 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.859 4.454 -12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.462 2.773 -13.248 1.00 0.00 H new ATOM 0 HE ARG A 30 2.247 5.133 -14.515 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.954 1.663 -13.860 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.846 1.392 -15.209 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.815 4.760 -16.228 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.207 3.131 -16.538 1.00 0.00 H new ATOM 495 N ARG A 31 1.451 5.993 -9.099 1.00 0.00 N ATOM 496 CA ARG A 31 0.564 7.116 -9.337 1.00 0.00 C ATOM 497 C ARG A 31 1.389 8.397 -9.339 1.00 0.00 C ATOM 498 O ARG A 31 1.593 9.024 -8.296 1.00 0.00 O ATOM 499 CB ARG A 31 -0.533 7.179 -8.275 1.00 0.00 C ATOM 500 CG ARG A 31 -1.633 8.171 -8.591 1.00 0.00 C ATOM 501 CD ARG A 31 -2.641 8.242 -7.460 1.00 0.00 C ATOM 502 NE ARG A 31 -2.017 8.692 -6.217 1.00 0.00 N ATOM 503 CZ ARG A 31 -2.634 9.429 -5.295 1.00 0.00 C ATOM 504 NH1 ARG A 31 -3.911 9.755 -5.445 1.00 0.00 N ATOM 505 NH2 ARG A 31 -1.976 9.823 -4.210 1.00 0.00 N ATOM 0 H ARG A 31 2.351 6.254 -8.697 1.00 0.00 H new ATOM 0 HA ARG A 31 0.074 6.995 -10.303 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.972 6.188 -8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.084 7.441 -7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.201 9.157 -8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.136 7.881 -9.514 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.447 8.923 -7.732 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.090 7.260 -7.309 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.048 8.425 -6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.424 9.441 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.380 10.320 -4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.998 9.561 -4.083 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.448 10.387 -3.504 1.00 0.00 H new ATOM 519 N GLY A 32 1.899 8.755 -10.507 1.00 0.00 N ATOM 520 CA GLY A 32 2.836 9.856 -10.596 1.00 0.00 C ATOM 521 C GLY A 32 4.196 9.433 -10.085 1.00 0.00 C ATOM 522 O GLY A 32 4.732 8.416 -10.521 1.00 0.00 O ATOM 0 H GLY A 32 1.681 8.303 -11.395 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.917 10.190 -11.630 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.469 10.702 -10.015 1.00 0.00 H new ATOM 526 N GLU A 33 4.753 10.192 -9.154 1.00 0.00 N ATOM 527 CA GLU A 33 5.990 9.793 -8.497 1.00 0.00 C ATOM 528 C GLU A 33 5.680 9.095 -7.180 1.00 0.00 C ATOM 529 O GLU A 33 6.576 8.782 -6.396 1.00 0.00 O ATOM 530 CB GLU A 33 6.912 10.991 -8.249 1.00 0.00 C ATOM 531 CG GLU A 33 7.454 11.635 -9.517 1.00 0.00 C ATOM 532 CD GLU A 33 6.558 12.732 -10.048 1.00 0.00 C ATOM 533 OE1 GLU A 33 5.646 12.438 -10.846 1.00 0.00 O ATOM 534 OE2 GLU A 33 6.760 13.903 -9.666 1.00 0.00 O ATOM 0 H GLU A 33 4.371 11.083 -8.837 1.00 0.00 H new ATOM 0 HA GLU A 33 6.511 9.103 -9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.367 11.742 -7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.751 10.668 -7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.443 12.046 -9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.577 10.870 -10.284 1.00 0.00 H new ATOM 541 N ASN A 34 4.402 8.848 -6.943 1.00 0.00 N ATOM 542 CA ASN A 34 3.971 8.156 -5.740 1.00 0.00 C ATOM 543 C ASN A 34 3.914 6.660 -6.014 1.00 0.00 C ATOM 544 O ASN A 34 2.966 6.172 -6.631 1.00 0.00 O ATOM 545 CB ASN A 34 2.597 8.659 -5.273 1.00 0.00 C ATOM 546 CG ASN A 34 2.536 10.169 -5.095 1.00 0.00 C ATOM 547 OD1 ASN A 34 3.658 10.784 -4.746 1.00 0.00 O flip ATOM 548 ND2 ASN A 34 1.481 10.779 -5.270 1.00 0.00 N flip ATOM 0 H ASN A 34 3.644 9.117 -7.570 1.00 0.00 H new ATOM 0 HA ASN A 34 4.689 8.358 -4.945 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.841 8.355 -5.997 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.344 8.178 -4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.637 10.272 -5.538 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.451 11.791 -5.147 1.00 0.00 H new ATOM 555 N TYR A 35 4.945 5.947 -5.590 1.00 0.00 N ATOM 556 CA TYR A 35 5.034 4.515 -5.840 1.00 0.00 C ATOM 557 C TYR A 35 4.821 3.718 -4.561 1.00 0.00 C ATOM 558 O TYR A 35 5.507 3.933 -3.558 1.00 0.00 O ATOM 559 CB TYR A 35 6.394 4.154 -6.446 1.00 0.00 C ATOM 560 CG TYR A 35 6.658 4.782 -7.797 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.061 4.280 -8.945 1.00 0.00 C ATOM 562 CD2 TYR A 35 7.510 5.872 -7.924 1.00 0.00 C ATOM 563 CE1 TYR A 35 6.304 4.845 -10.183 1.00 0.00 C ATOM 564 CE2 TYR A 35 7.759 6.442 -9.158 1.00 0.00 C ATOM 565 CZ TYR A 35 7.154 5.925 -10.282 1.00 0.00 C ATOM 566 OH TYR A 35 7.404 6.485 -11.514 1.00 0.00 O ATOM 0 H TYR A 35 5.733 6.335 -5.071 1.00 0.00 H new ATOM 0 HA TYR A 35 4.246 4.258 -6.548 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.180 4.461 -5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.460 3.070 -6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.395 3.433 -8.870 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.985 6.280 -7.044 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.831 4.443 -11.067 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.425 7.289 -9.241 1.00 0.00 H new ATOM 0 HH TYR A 35 8.023 7.238 -11.412 1.00 0.00 H new ATOM 576 N VAL A 36 3.855 2.812 -4.599 1.00 0.00 N ATOM 577 CA VAL A 36 3.626 1.872 -3.513 1.00 0.00 C ATOM 578 C VAL A 36 3.591 0.454 -4.075 1.00 0.00 C ATOM 579 O VAL A 36 3.602 0.266 -5.289 1.00 0.00 O ATOM 580 CB VAL A 36 2.315 2.159 -2.740 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.361 3.536 -2.091 1.00 0.00 C ATOM 582 CG2 VAL A 36 1.100 2.038 -3.647 1.00 0.00 C ATOM 0 H VAL A 36 3.209 2.708 -5.382 1.00 0.00 H new ATOM 0 HA VAL A 36 4.446 1.985 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 36 2.224 1.409 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.430 3.716 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.197 3.582 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.489 4.297 -2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.196 2.245 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.184 2.754 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.048 1.028 -4.053 1.00 0.00 H new ATOM 592 N TYR A 37 3.568 -0.538 -3.205 1.00 0.00 N ATOM 593 CA TYR A 37 3.572 -1.928 -3.639 1.00 0.00 C ATOM 594 C TYR A 37 2.569 -2.738 -2.830 1.00 0.00 C ATOM 595 O TYR A 37 2.493 -2.611 -1.611 1.00 0.00 O ATOM 596 CB TYR A 37 4.975 -2.528 -3.496 1.00 0.00 C ATOM 597 CG TYR A 37 6.001 -1.896 -4.411 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.216 -2.395 -5.688 1.00 0.00 C ATOM 599 CD2 TYR A 37 6.748 -0.797 -4.001 1.00 0.00 C ATOM 600 CE1 TYR A 37 7.146 -1.820 -6.531 1.00 0.00 C ATOM 601 CE2 TYR A 37 7.679 -0.215 -4.840 1.00 0.00 C ATOM 602 CZ TYR A 37 7.872 -0.731 -6.104 1.00 0.00 C ATOM 603 OH TYR A 37 8.795 -0.153 -6.948 1.00 0.00 O ATOM 0 H TYR A 37 3.546 -0.410 -2.193 1.00 0.00 H new ATOM 0 HA TYR A 37 3.283 -1.963 -4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.305 -2.417 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.926 -3.597 -3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.646 -3.247 -6.028 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.598 -0.392 -3.011 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.303 -2.223 -7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.252 0.638 -4.508 1.00 0.00 H new ATOM 0 HH TYR A 37 8.867 0.804 -6.748 1.00 0.00 H new ATOM 613 N VAL A 38 1.783 -3.545 -3.511 1.00 0.00 N ATOM 614 CA VAL A 38 0.808 -4.396 -2.852 1.00 0.00 C ATOM 615 C VAL A 38 1.357 -5.806 -2.722 1.00 0.00 C ATOM 616 O VAL A 38 1.546 -6.501 -3.722 1.00 0.00 O ATOM 617 CB VAL A 38 -0.524 -4.444 -3.625 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.559 -5.273 -2.876 1.00 0.00 C ATOM 619 CG2 VAL A 38 -1.045 -3.041 -3.883 1.00 0.00 C ATOM 0 H VAL A 38 1.799 -3.631 -4.527 1.00 0.00 H new ATOM 0 HA VAL A 38 0.617 -3.972 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.339 -4.923 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.490 -5.291 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.190 -6.291 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.739 -4.831 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.986 -3.097 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.207 -2.533 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.316 -2.485 -4.472 1.00 0.00 H new ATOM 629 N ASN A 39 1.633 -6.218 -1.497 1.00 0.00 N ATOM 630 CA ASN A 39 2.170 -7.545 -1.240 1.00 0.00 C ATOM 631 C ASN A 39 1.138 -8.605 -1.604 1.00 0.00 C ATOM 632 O ASN A 39 0.144 -8.782 -0.904 1.00 0.00 O ATOM 633 CB ASN A 39 2.568 -7.681 0.233 1.00 0.00 C ATOM 634 CG ASN A 39 3.252 -8.999 0.560 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.100 -9.531 1.661 1.00 0.00 O ATOM 636 ND2 ASN A 39 4.033 -9.527 -0.376 1.00 0.00 N ATOM 0 H ASN A 39 1.494 -5.651 -0.661 1.00 0.00 H new ATOM 0 HA ASN A 39 3.058 -7.689 -1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.234 -6.860 0.498 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.677 -7.581 0.852 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.529 -10.399 -0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.136 -9.060 -1.277 1.00 0.00 H new ATOM 643 N ARG A 40 1.372 -9.298 -2.712 1.00 0.00 N ATOM 644 CA ARG A 40 0.438 -10.306 -3.194 1.00 0.00 C ATOM 645 C ARG A 40 0.516 -11.547 -2.315 1.00 0.00 C ATOM 646 O ARG A 40 -0.407 -12.354 -2.266 1.00 0.00 O ATOM 647 CB ARG A 40 0.748 -10.663 -4.650 1.00 0.00 C ATOM 648 CG ARG A 40 -0.274 -11.589 -5.290 1.00 0.00 C ATOM 649 CD ARG A 40 0.131 -11.967 -6.701 1.00 0.00 C ATOM 650 NE ARG A 40 -0.849 -12.848 -7.335 1.00 0.00 N ATOM 651 CZ ARG A 40 -0.602 -14.108 -7.679 1.00 0.00 C ATOM 652 NH1 ARG A 40 0.566 -14.665 -7.383 1.00 0.00 N ATOM 653 NH2 ARG A 40 -1.534 -14.813 -8.303 1.00 0.00 N ATOM 0 H ARG A 40 2.202 -9.180 -3.293 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.574 -9.904 -3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.807 -9.745 -5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.730 -11.134 -4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.379 -12.490 -4.686 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.249 -11.101 -5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.247 -11.063 -7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.102 -12.461 -6.679 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.778 -12.473 -7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.278 -14.126 -6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.752 -15.632 -7.649 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.436 -14.389 -8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.349 -15.780 -8.569 1.00 0.00 H new ATOM 667 N GLU A 41 1.627 -11.674 -1.607 1.00 0.00 N ATOM 668 CA GLU A 41 1.853 -12.801 -0.717 1.00 0.00 C ATOM 669 C GLU A 41 1.257 -12.530 0.662 1.00 0.00 C ATOM 670 O GLU A 41 1.468 -13.300 1.602 1.00 0.00 O ATOM 671 CB GLU A 41 3.353 -13.056 -0.582 1.00 0.00 C ATOM 672 CG GLU A 41 4.068 -13.257 -1.908 1.00 0.00 C ATOM 673 CD GLU A 41 5.572 -13.217 -1.758 1.00 0.00 C ATOM 674 OE1 GLU A 41 6.146 -12.107 -1.794 1.00 0.00 O ATOM 675 OE2 GLU A 41 6.190 -14.284 -1.585 1.00 0.00 O ATOM 0 H GLU A 41 2.394 -11.002 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 41 1.366 -13.679 -1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.808 -12.215 -0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.507 -13.938 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.773 -14.215 -2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.754 -12.484 -2.609 1.00 0.00 H new ATOM 682 N ALA A 42 0.507 -11.438 0.786 1.00 0.00 N ATOM 683 CA ALA A 42 -0.084 -11.067 2.061 1.00 0.00 C ATOM 684 C ALA A 42 -1.343 -11.877 2.332 1.00 0.00 C ATOM 685 O ALA A 42 -2.443 -11.334 2.406 1.00 0.00 O ATOM 686 CB ALA A 42 -0.386 -9.578 2.104 1.00 0.00 C ATOM 0 H ALA A 42 0.297 -10.799 0.020 1.00 0.00 H new ATOM 0 HA ALA A 42 0.640 -11.291 2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.828 -9.324 3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.538 -9.015 1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.085 -9.325 1.307 1.00 0.00 H new ATOM 692 N ARG A 43 -1.167 -13.182 2.476 1.00 0.00 N ATOM 693 CA ARG A 43 -2.267 -14.079 2.791 1.00 0.00 C ATOM 694 C ARG A 43 -2.781 -13.801 4.198 1.00 0.00 C ATOM 695 O ARG A 43 -3.935 -14.078 4.514 1.00 0.00 O ATOM 696 CB ARG A 43 -1.813 -15.536 2.668 1.00 0.00 C ATOM 697 CG ARG A 43 -2.602 -16.341 1.643 1.00 0.00 C ATOM 698 CD ARG A 43 -4.051 -16.525 2.069 1.00 0.00 C ATOM 699 NE ARG A 43 -4.830 -17.256 1.072 1.00 0.00 N ATOM 700 CZ ARG A 43 -5.846 -18.064 1.368 1.00 0.00 C ATOM 701 NH1 ARG A 43 -6.191 -18.269 2.631 1.00 0.00 N ATOM 702 NH2 ARG A 43 -6.516 -18.665 0.394 1.00 0.00 N ATOM 0 H ARG A 43 -0.264 -13.646 2.378 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.077 -13.907 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.757 -15.556 2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.902 -16.018 3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.567 -15.835 0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.135 -17.317 1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.084 -17.061 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.505 -15.549 2.238 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.580 -17.140 0.090 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.677 -17.807 3.381 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.970 -18.889 2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.252 -18.508 -0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.295 -19.285 0.618 1.00 0.00 H new ATOM 716 N MET A 44 -1.912 -13.246 5.035 1.00 0.00 N ATOM 717 CA MET A 44 -2.292 -12.867 6.390 1.00 0.00 C ATOM 718 C MET A 44 -3.031 -11.534 6.390 1.00 0.00 C ATOM 719 O MET A 44 -3.788 -11.232 7.314 1.00 0.00 O ATOM 720 CB MET A 44 -1.057 -12.766 7.289 1.00 0.00 C ATOM 721 CG MET A 44 -0.315 -14.080 7.469 1.00 0.00 C ATOM 722 SD MET A 44 1.103 -13.929 8.577 1.00 0.00 S ATOM 723 CE MET A 44 1.726 -15.611 8.550 1.00 0.00 C ATOM 0 H MET A 44 -0.940 -13.049 4.799 1.00 0.00 H new ATOM 0 HA MET A 44 -2.954 -13.640 6.779 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.373 -12.029 6.868 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.362 -12.396 8.268 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.001 -14.830 7.863 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.024 -14.438 6.497 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.606 -15.683 9.189 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.956 -16.290 8.915 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.995 -15.883 7.529 1.00 0.00 H new ATOM 733 N GLY A 45 -2.797 -10.736 5.351 1.00 0.00 N ATOM 734 CA GLY A 45 -3.424 -9.426 5.246 1.00 0.00 C ATOM 735 C GLY A 45 -2.804 -8.407 6.185 1.00 0.00 C ATOM 736 O GLY A 45 -3.307 -7.294 6.328 1.00 0.00 O ATOM 0 H GLY A 45 -2.180 -10.974 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.340 -9.068 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.488 -9.517 5.466 1.00 0.00 H new ATOM 740 N ARG A 46 -1.700 -8.784 6.814 1.00 0.00 N ATOM 741 CA ARG A 46 -1.057 -7.933 7.806 1.00 0.00 C ATOM 742 C ARG A 46 0.168 -7.237 7.210 1.00 0.00 C ATOM 743 O ARG A 46 0.767 -6.366 7.833 1.00 0.00 O ATOM 744 CB ARG A 46 -0.660 -8.775 9.025 1.00 0.00 C ATOM 745 CG ARG A 46 -0.196 -7.960 10.221 1.00 0.00 C ATOM 746 CD ARG A 46 0.211 -8.857 11.377 1.00 0.00 C ATOM 747 NE ARG A 46 0.718 -8.091 12.513 1.00 0.00 N ATOM 748 CZ ARG A 46 1.810 -8.415 13.202 1.00 0.00 C ATOM 749 NH1 ARG A 46 2.496 -9.509 12.893 1.00 0.00 N ATOM 750 NH2 ARG A 46 2.209 -7.644 14.205 1.00 0.00 N ATOM 0 H ARG A 46 -1.230 -9.675 6.655 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.760 -7.162 8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.512 -9.385 9.324 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.137 -9.460 8.735 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.647 -7.332 9.931 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.996 -7.292 10.541 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.646 -9.451 11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.977 -9.556 11.041 1.00 0.00 H new ATOM 0 HE ARG A 46 0.204 -7.257 12.796 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.187 -10.105 12.125 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.332 -9.753 13.424 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.680 -6.806 14.446 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.045 -7.889 14.735 1.00 0.00 H new ATOM 764 N THR A 47 0.529 -7.628 5.997 1.00 0.00 N ATOM 765 CA THR A 47 1.689 -7.059 5.323 1.00 0.00 C ATOM 766 C THR A 47 1.327 -6.613 3.911 1.00 0.00 C ATOM 767 O THR A 47 2.189 -6.526 3.040 1.00 0.00 O ATOM 768 CB THR A 47 2.834 -8.086 5.246 1.00 0.00 C ATOM 769 OG1 THR A 47 2.338 -9.333 4.731 1.00 0.00 O ATOM 770 CG2 THR A 47 3.465 -8.308 6.614 1.00 0.00 C ATOM 0 H THR A 47 0.035 -8.339 5.457 1.00 0.00 H new ATOM 0 HA THR A 47 2.016 -6.196 5.903 1.00 0.00 H new ATOM 0 HB THR A 47 3.599 -7.693 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.579 -9.415 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.270 -9.038 6.529 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.867 -7.366 6.987 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.710 -8.680 7.307 1.00 0.00 H new ATOM 778 N ALA A 48 0.055 -6.297 3.708 1.00 0.00 N ATOM 779 CA ALA A 48 -0.478 -6.050 2.373 1.00 0.00 C ATOM 780 C ALA A 48 0.049 -4.757 1.756 1.00 0.00 C ATOM 781 O ALA A 48 0.588 -4.767 0.649 1.00 0.00 O ATOM 782 CB ALA A 48 -1.996 -6.030 2.415 1.00 0.00 C ATOM 0 H ALA A 48 -0.632 -6.205 4.456 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.137 -6.866 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.385 -5.845 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.363 -6.991 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.331 -5.239 3.086 1.00 0.00 H new ATOM 788 N LEU A 49 -0.105 -3.647 2.465 1.00 0.00 N ATOM 789 CA LEU A 49 0.240 -2.348 1.901 1.00 0.00 C ATOM 790 C LEU A 49 1.697 -1.994 2.156 1.00 0.00 C ATOM 791 O LEU A 49 2.098 -1.730 3.294 1.00 0.00 O ATOM 792 CB LEU A 49 -0.662 -1.244 2.461 1.00 0.00 C ATOM 793 CG LEU A 49 -0.366 0.162 1.926 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.632 0.233 0.429 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.193 1.199 2.668 1.00 0.00 C ATOM 0 H LEU A 49 -0.462 -3.618 3.420 1.00 0.00 H new ATOM 0 HA LEU A 49 0.085 -2.421 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.699 -1.492 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.566 -1.232 3.547 1.00 0.00 H new ATOM 0 HG LEU A 49 0.689 0.379 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.416 1.239 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.007 -0.483 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.677 -0.006 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.970 2.191 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.253 0.984 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.950 1.166 3.730 1.00 0.00 H new ATOM 807 N ILE A 50 2.486 -1.994 1.095 1.00 0.00 N ATOM 808 CA ILE A 50 3.869 -1.565 1.172 1.00 0.00 C ATOM 809 C ILE A 50 3.994 -0.163 0.590 1.00 0.00 C ATOM 810 O ILE A 50 3.583 0.081 -0.542 1.00 0.00 O ATOM 811 CB ILE A 50 4.816 -2.503 0.393 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.542 -3.977 0.722 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.259 -2.145 0.700 1.00 0.00 C ATOM 814 CD1 ILE A 50 4.668 -4.318 2.189 1.00 0.00 C ATOM 0 H ILE A 50 2.188 -2.289 0.165 1.00 0.00 H new ATOM 0 HA ILE A 50 4.158 -1.584 2.223 1.00 0.00 H new ATOM 0 HB ILE A 50 4.632 -2.368 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.537 -4.232 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.235 -4.599 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.924 -2.809 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.449 -1.113 0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.442 -2.255 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.459 -5.378 2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.680 -4.098 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.956 -3.725 2.763 1.00 0.00 H new ATOM 826 N ILE A 51 4.542 0.761 1.358 1.00 0.00 N ATOM 827 CA ILE A 51 4.736 2.121 0.871 1.00 0.00 C ATOM 828 C ILE A 51 6.218 2.416 0.710 1.00 0.00 C ATOM 829 O ILE A 51 7.068 1.656 1.184 1.00 0.00 O ATOM 830 CB ILE A 51 4.122 3.180 1.814 1.00 0.00 C ATOM 831 CG1 ILE A 51 4.897 3.236 3.130 1.00 0.00 C ATOM 832 CG2 ILE A 51 2.651 2.883 2.069 1.00 0.00 C ATOM 833 CD1 ILE A 51 4.440 4.333 4.066 1.00 0.00 C ATOM 0 H ILE A 51 4.859 0.600 2.314 1.00 0.00 H new ATOM 0 HA ILE A 51 4.226 2.182 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 51 4.193 4.154 1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.801 2.276 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.955 3.377 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.237 3.640 2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.108 2.895 1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.553 1.901 2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.038 4.307 4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.562 5.301 3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.390 4.183 4.317 1.00 0.00 H new ATOM 845 N HIS A 52 6.517 3.513 0.035 1.00 0.00 N ATOM 846 CA HIS A 52 7.884 3.995 -0.094 1.00 0.00 C ATOM 847 C HIS A 52 8.448 4.352 1.285 1.00 0.00 C ATOM 848 O HIS A 52 7.745 4.929 2.113 1.00 0.00 O ATOM 849 CB HIS A 52 7.909 5.226 -1.017 1.00 0.00 C ATOM 850 CG HIS A 52 9.263 5.854 -1.193 1.00 0.00 C ATOM 851 ND1 HIS A 52 9.822 6.706 -0.269 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.166 5.753 -2.195 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.004 7.104 -0.689 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.242 6.543 -1.859 1.00 0.00 N ATOM 0 H HIS A 52 5.824 4.093 -0.437 1.00 0.00 H new ATOM 0 HA HIS A 52 8.504 3.211 -0.529 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.528 4.936 -1.996 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.225 5.976 -0.618 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.386 6.987 0.609 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.062 5.162 -3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.667 7.776 -0.165 1.00 0.00 H new ATOM 863 N PRO A 53 9.716 3.981 1.554 1.00 0.00 N ATOM 864 CA PRO A 53 10.441 4.384 2.773 1.00 0.00 C ATOM 865 C PRO A 53 10.491 5.903 2.961 1.00 0.00 C ATOM 866 O PRO A 53 9.765 6.640 2.297 1.00 0.00 O ATOM 867 CB PRO A 53 11.856 3.833 2.557 1.00 0.00 C ATOM 868 CG PRO A 53 11.926 3.460 1.115 1.00 0.00 C ATOM 869 CD PRO A 53 10.532 3.092 0.718 1.00 0.00 C ATOM 0 HA PRO A 53 9.950 4.003 3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.610 4.580 2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.042 2.969 3.195 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.297 4.291 0.514 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.609 2.625 0.960 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.355 3.260 -0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.318 2.041 0.915 1.00 0.00 H new ATOM 877 N ARG A 54 11.334 6.368 3.884 1.00 0.00 N ATOM 878 CA ARG A 54 11.419 7.796 4.231 1.00 0.00 C ATOM 879 C ARG A 54 10.177 8.237 5.019 1.00 0.00 C ATOM 880 O ARG A 54 10.229 9.149 5.845 1.00 0.00 O ATOM 881 CB ARG A 54 11.598 8.662 2.972 1.00 0.00 C ATOM 882 CG ARG A 54 11.429 10.150 3.224 1.00 0.00 C ATOM 883 CD ARG A 54 11.629 10.971 1.958 1.00 0.00 C ATOM 884 NE ARG A 54 12.995 10.873 1.440 1.00 0.00 N ATOM 885 CZ ARG A 54 13.973 11.723 1.763 1.00 0.00 C ATOM 886 NH1 ARG A 54 13.761 12.695 2.645 1.00 0.00 N ATOM 887 NH2 ARG A 54 15.173 11.599 1.213 1.00 0.00 N ATOM 0 H ARG A 54 11.974 5.774 4.411 1.00 0.00 H new ATOM 0 HA ARG A 54 12.296 7.936 4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.590 8.483 2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.876 8.346 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.433 10.339 3.624 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.143 10.472 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.928 10.633 1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.396 12.015 2.165 1.00 0.00 H new ATOM 0 HE ARG A 54 13.212 10.112 0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.845 12.797 3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.515 13.339 2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.351 10.853 0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.918 12.250 1.462 1.00 0.00 H new ATOM 901 N LEU A 55 9.071 7.554 4.771 1.00 0.00 N ATOM 902 CA LEU A 55 7.793 7.876 5.377 1.00 0.00 C ATOM 903 C LEU A 55 7.543 7.065 6.637 1.00 0.00 C ATOM 904 O LEU A 55 6.411 7.006 7.103 1.00 0.00 O ATOM 905 CB LEU A 55 6.673 7.606 4.374 1.00 0.00 C ATOM 906 CG LEU A 55 6.537 8.641 3.262 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.673 8.100 2.134 1.00 0.00 C ATOM 908 CD2 LEU A 55 5.939 9.919 3.824 1.00 0.00 C ATOM 0 H LEU A 55 9.037 6.755 4.138 1.00 0.00 H new ATOM 0 HA LEU A 55 7.812 8.930 5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.840 6.629 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.728 7.550 4.914 1.00 0.00 H new ATOM 0 HG LEU A 55 7.525 8.859 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.587 8.852 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.131 7.199 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.681 7.861 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.843 10.657 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.955 9.707 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.589 10.312 4.606 1.00 0.00 H new ATOM 920 N LYS A 56 8.589 6.444 7.186 1.00 0.00 N ATOM 921 CA LYS A 56 8.439 5.641 8.401 1.00 0.00 C ATOM 922 C LYS A 56 7.721 6.412 9.480 1.00 0.00 C ATOM 923 O LYS A 56 6.653 6.014 9.948 1.00 0.00 O ATOM 924 CB LYS A 56 9.788 5.228 8.985 1.00 0.00 C ATOM 925 CG LYS A 56 10.130 3.759 8.843 1.00 0.00 C ATOM 926 CD LYS A 56 9.001 2.829 9.277 1.00 0.00 C ATOM 927 CE LYS A 56 8.797 2.832 10.786 1.00 0.00 C ATOM 928 NZ LYS A 56 9.935 2.209 11.513 1.00 0.00 N ATOM 0 H LYS A 56 9.538 6.480 6.814 1.00 0.00 H new ATOM 0 HA LYS A 56 7.870 4.761 8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.570 5.815 8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.802 5.487 10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.382 3.551 7.803 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.018 3.541 9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.076 3.132 8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.221 1.815 8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.667 3.858 11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.879 2.297 11.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.656 2.018 12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.197 1.316 11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.749 2.856 11.503 1.00 0.00 H new ATOM 942 N ASP A 57 8.318 7.527 9.856 1.00 0.00 N ATOM 943 CA ASP A 57 7.868 8.267 11.009 1.00 0.00 C ATOM 944 C ASP A 57 6.504 8.899 10.747 1.00 0.00 C ATOM 945 O ASP A 57 5.614 8.872 11.600 1.00 0.00 O ATOM 946 CB ASP A 57 8.890 9.342 11.382 1.00 0.00 C ATOM 947 CG ASP A 57 8.470 10.161 12.587 1.00 0.00 C ATOM 948 OD1 ASP A 57 7.806 11.203 12.401 1.00 0.00 O ATOM 949 OD2 ASP A 57 8.824 9.778 13.721 1.00 0.00 O ATOM 0 H ASP A 57 9.118 7.938 9.375 1.00 0.00 H new ATOM 0 HA ASP A 57 7.769 7.574 11.844 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.850 8.868 11.587 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.038 10.007 10.531 1.00 0.00 H new ATOM 954 N ARG A 58 6.349 9.464 9.553 1.00 0.00 N ATOM 955 CA ARG A 58 5.080 10.054 9.136 1.00 0.00 C ATOM 956 C ARG A 58 3.974 9.002 9.142 1.00 0.00 C ATOM 957 O ARG A 58 2.897 9.221 9.698 1.00 0.00 O ATOM 958 CB ARG A 58 5.218 10.672 7.738 1.00 0.00 C ATOM 959 CG ARG A 58 3.904 11.136 7.120 1.00 0.00 C ATOM 960 CD ARG A 58 3.259 12.266 7.909 1.00 0.00 C ATOM 961 NE ARG A 58 1.963 12.647 7.343 1.00 0.00 N ATOM 962 CZ ARG A 58 1.155 13.569 7.867 1.00 0.00 C ATOM 963 NH1 ARG A 58 1.518 14.236 8.955 1.00 0.00 N ATOM 964 NH2 ARG A 58 -0.014 13.828 7.291 1.00 0.00 N ATOM 0 H ARG A 58 7.090 9.526 8.854 1.00 0.00 H new ATOM 0 HA ARG A 58 4.813 10.840 9.843 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.898 11.522 7.796 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.678 9.940 7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.084 11.467 6.097 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.214 10.294 7.066 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.127 11.957 8.946 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.922 13.131 7.916 1.00 0.00 H new ATOM 0 HE ARG A 58 1.658 12.176 6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.418 14.044 9.394 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.897 14.941 9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.291 13.322 6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.634 14.533 7.690 1.00 0.00 H new ATOM 978 N SER A 59 4.247 7.866 8.516 1.00 0.00 N ATOM 979 CA SER A 59 3.280 6.785 8.435 1.00 0.00 C ATOM 980 C SER A 59 2.894 6.264 9.816 1.00 0.00 C ATOM 981 O SER A 59 1.714 6.066 10.083 1.00 0.00 O ATOM 982 CB SER A 59 3.817 5.648 7.562 1.00 0.00 C ATOM 983 OG SER A 59 3.020 4.479 7.679 1.00 0.00 O ATOM 0 H SER A 59 5.136 7.670 8.055 1.00 0.00 H new ATOM 0 HA SER A 59 2.378 7.187 7.973 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.843 5.969 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.843 5.420 7.851 1.00 0.00 H new ATOM 0 HG SER A 59 3.396 3.769 7.118 1.00 0.00 H new ATOM 989 N SER A 60 3.879 6.036 10.685 1.00 0.00 N ATOM 990 CA SER A 60 3.619 5.482 12.015 1.00 0.00 C ATOM 991 C SER A 60 2.704 6.384 12.846 1.00 0.00 C ATOM 992 O SER A 60 2.047 5.924 13.782 1.00 0.00 O ATOM 993 CB SER A 60 4.936 5.218 12.754 1.00 0.00 C ATOM 994 OG SER A 60 5.799 6.341 12.702 1.00 0.00 O ATOM 0 H SER A 60 4.863 6.226 10.493 1.00 0.00 H new ATOM 0 HA SER A 60 3.097 4.535 11.876 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.726 4.968 13.794 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.434 4.355 12.313 1.00 0.00 H new ATOM 0 HG SER A 60 5.309 7.114 12.352 1.00 0.00 H new ATOM 1000 N SER A 61 2.661 7.664 12.497 1.00 0.00 N ATOM 1001 CA SER A 61 1.798 8.621 13.177 1.00 0.00 C ATOM 1002 C SER A 61 0.334 8.377 12.803 1.00 0.00 C ATOM 1003 O SER A 61 -0.582 8.708 13.559 1.00 0.00 O ATOM 1004 CB SER A 61 2.223 10.048 12.809 1.00 0.00 C ATOM 1005 OG SER A 61 1.424 11.020 13.462 1.00 0.00 O ATOM 0 H SER A 61 3.218 8.065 11.742 1.00 0.00 H new ATOM 0 HA SER A 61 1.897 8.492 14.255 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.269 10.197 13.078 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.149 10.182 11.730 1.00 0.00 H new ATOM 0 HG SER A 61 1.724 11.917 13.205 1.00 0.00 H new ATOM 1011 N LEU A 62 0.126 7.763 11.647 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.213 7.495 11.143 1.00 0.00 C ATOM 1013 C LEU A 62 -1.525 6.002 11.201 1.00 0.00 C ATOM 1014 O LEU A 62 -2.393 5.558 11.956 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.331 7.987 9.699 1.00 0.00 C ATOM 1016 CG LEU A 62 -1.104 9.485 9.502 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -1.002 9.819 8.022 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -2.226 10.279 10.151 1.00 0.00 C ATOM 0 H LEU A 62 0.875 7.439 11.036 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.929 8.025 11.771 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.612 7.443 9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.323 7.734 9.326 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.164 9.759 9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.840 10.890 7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.166 9.274 7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.926 9.532 7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.051 11.345 10.003 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.178 10.001 9.698 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.255 10.061 11.219 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.793 5.236 10.407 1.00 0.00 N ATOM 1031 CA ALA A 63 -1.005 3.805 10.302 1.00 0.00 C ATOM 1032 C ALA A 63 0.226 3.053 10.786 1.00 0.00 C ATOM 1033 O ALA A 63 1.295 3.127 10.171 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.335 3.426 8.866 1.00 0.00 C ATOM 0 H ALA A 63 -0.038 5.590 9.820 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.848 3.527 10.934 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.492 2.349 8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.241 3.944 8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.509 3.712 8.215 1.00 0.00 H new ATOM 1040 N ASP A 64 0.066 2.343 11.893 1.00 0.00 N ATOM 1041 CA ASP A 64 1.167 1.630 12.525 1.00 0.00 C ATOM 1042 C ASP A 64 1.605 0.438 11.678 1.00 0.00 C ATOM 1043 O ASP A 64 0.773 -0.357 11.233 1.00 0.00 O ATOM 1044 CB ASP A 64 0.747 1.159 13.919 1.00 0.00 C ATOM 1045 CG ASP A 64 1.924 0.722 14.764 1.00 0.00 C ATOM 1046 OD1 ASP A 64 2.726 1.596 15.160 1.00 0.00 O ATOM 1047 OD2 ASP A 64 2.047 -0.487 15.047 1.00 0.00 O ATOM 0 H ASP A 64 -0.826 2.245 12.377 1.00 0.00 H new ATOM 0 HA ASP A 64 2.013 2.311 12.614 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.219 1.966 14.427 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.046 0.330 13.823 1.00 0.00 H new ATOM 1052 N PRO A 65 2.920 0.313 11.428 1.00 0.00 N ATOM 1053 CA PRO A 65 3.476 -0.784 10.634 1.00 0.00 C ATOM 1054 C PRO A 65 3.419 -2.116 11.370 1.00 0.00 C ATOM 1055 O PRO A 65 3.510 -2.168 12.597 1.00 0.00 O ATOM 1056 CB PRO A 65 4.929 -0.360 10.408 1.00 0.00 C ATOM 1057 CG PRO A 65 5.247 0.518 11.567 1.00 0.00 C ATOM 1058 CD PRO A 65 3.968 1.235 11.906 1.00 0.00 C ATOM 0 HA PRO A 65 2.917 -0.943 9.712 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.593 -1.224 10.371 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.045 0.172 9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.603 -0.068 12.415 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.037 1.226 11.315 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.883 1.419 12.977 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.907 2.204 11.410 1.00 0.00 H new ATOM 1066 N ALA A 66 3.267 -3.196 10.617 1.00 0.00 N ATOM 1067 CA ALA A 66 3.202 -4.525 11.203 1.00 0.00 C ATOM 1068 C ALA A 66 4.584 -4.986 11.642 1.00 0.00 C ATOM 1069 O ALA A 66 4.855 -5.124 12.836 1.00 0.00 O ATOM 1070 CB ALA A 66 2.603 -5.509 10.214 1.00 0.00 C ATOM 0 H ALA A 66 3.187 -3.177 9.600 1.00 0.00 H new ATOM 0 HA ALA A 66 2.560 -4.482 12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.561 -6.500 10.667 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.596 -5.189 9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.222 -5.546 9.317 1.00 0.00 H new ATOM 1076 N SER A 67 5.453 -5.227 10.673 1.00 0.00 N ATOM 1077 CA SER A 67 6.815 -5.614 10.952 1.00 0.00 C ATOM 1078 C SER A 67 7.641 -4.405 11.335 1.00 0.00 C ATOM 1079 O SER A 67 7.910 -4.141 12.508 1.00 0.00 O ATOM 1080 CB SER A 67 7.391 -6.337 9.727 1.00 0.00 C ATOM 1081 OG SER A 67 6.472 -7.297 9.231 1.00 0.00 O ATOM 0 H SER A 67 5.230 -5.159 9.680 1.00 0.00 H new ATOM 0 HA SER A 67 6.841 -6.298 11.800 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.623 -5.612 8.947 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.327 -6.827 9.995 1.00 0.00 H new ATOM 0 HG SER A 67 6.857 -7.745 8.449 1.00 0.00 H new ATOM 1087 N ASP A 68 7.973 -3.685 10.316 1.00 0.00 N ATOM 1088 CA ASP A 68 8.730 -2.437 10.377 1.00 0.00 C ATOM 1089 C ASP A 68 9.144 -2.081 8.965 1.00 0.00 C ATOM 1090 O ASP A 68 8.738 -1.064 8.409 1.00 0.00 O ATOM 1091 CB ASP A 68 9.995 -2.566 11.231 1.00 0.00 C ATOM 1092 CG ASP A 68 10.397 -1.246 11.858 1.00 0.00 C ATOM 1093 OD1 ASP A 68 10.795 -0.318 11.120 1.00 0.00 O ATOM 1094 OD2 ASP A 68 10.294 -1.126 13.096 1.00 0.00 O ATOM 0 H ASP A 68 7.721 -3.946 9.363 1.00 0.00 H new ATOM 0 HA ASP A 68 8.098 -1.673 10.830 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.828 -3.304 12.016 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.813 -2.937 10.613 1.00 0.00 H new ATOM 1099 N ILE A 69 9.939 -2.973 8.398 1.00 0.00 N ATOM 1100 CA ILE A 69 10.370 -2.894 7.014 1.00 0.00 C ATOM 1101 C ILE A 69 10.303 -4.284 6.392 1.00 0.00 C ATOM 1102 O ILE A 69 10.435 -5.287 7.093 1.00 0.00 O ATOM 1103 CB ILE A 69 11.807 -2.348 6.882 1.00 0.00 C ATOM 1104 CG1 ILE A 69 12.726 -3.029 7.898 1.00 0.00 C ATOM 1105 CG2 ILE A 69 11.829 -0.835 7.062 1.00 0.00 C ATOM 1106 CD1 ILE A 69 14.194 -2.762 7.661 1.00 0.00 C ATOM 0 H ILE A 69 10.308 -3.784 8.894 1.00 0.00 H new ATOM 0 HA ILE A 69 9.704 -2.204 6.496 1.00 0.00 H new ATOM 0 HB ILE A 69 12.172 -2.572 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.461 -2.690 8.899 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.552 -4.105 7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.852 -0.472 6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.205 -0.369 6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.446 -0.581 8.050 1.00 0.00 H new ATOM 0 HD11 ILE A 69 14.784 -3.276 8.419 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.475 -3.127 6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.383 -1.690 7.719 1.00 0.00 H new ATOM 1118 N LYS A 70 10.080 -4.341 5.097 1.00 0.00 N ATOM 1119 CA LYS A 70 9.949 -5.611 4.399 1.00 0.00 C ATOM 1120 C LYS A 70 10.911 -5.664 3.221 1.00 0.00 C ATOM 1121 O LYS A 70 10.774 -4.902 2.264 1.00 0.00 O ATOM 1122 CB LYS A 70 8.503 -5.801 3.927 1.00 0.00 C ATOM 1123 CG LYS A 70 8.215 -7.172 3.339 1.00 0.00 C ATOM 1124 CD LYS A 70 6.749 -7.301 2.956 1.00 0.00 C ATOM 1125 CE LYS A 70 6.400 -8.704 2.487 1.00 0.00 C ATOM 1126 NZ LYS A 70 7.129 -9.081 1.248 1.00 0.00 N ATOM 0 H LYS A 70 9.984 -3.520 4.499 1.00 0.00 H new ATOM 0 HA LYS A 70 10.200 -6.422 5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.832 -5.631 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.274 -5.042 3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.840 -7.334 2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.475 -7.944 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.127 -7.041 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.517 -6.587 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.636 -9.418 3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.327 -8.769 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.695 -9.931 0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.078 -8.299 0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.124 -9.277 1.477 1.00 0.00 H new ATOM 1140 N THR A 71 11.889 -6.552 3.307 1.00 0.00 N ATOM 1141 CA THR A 71 12.890 -6.684 2.266 1.00 0.00 C ATOM 1142 C THR A 71 12.421 -7.645 1.176 1.00 0.00 C ATOM 1143 O THR A 71 11.842 -8.696 1.462 1.00 0.00 O ATOM 1144 CB THR A 71 14.234 -7.151 2.852 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.045 -8.324 3.654 1.00 0.00 O ATOM 1146 CG2 THR A 71 14.859 -6.052 3.698 1.00 0.00 C ATOM 0 H THR A 71 12.009 -7.193 4.091 1.00 0.00 H new ATOM 0 HA THR A 71 13.035 -5.701 1.817 1.00 0.00 H new ATOM 0 HB THR A 71 14.904 -7.385 2.024 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.907 -8.613 4.020 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.809 -6.401 4.104 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.030 -5.170 3.080 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.187 -5.796 4.517 1.00 0.00 H new ATOM 1154 N CYS A 72 12.680 -7.265 -0.067 1.00 0.00 N ATOM 1155 CA CYS A 72 12.218 -7.997 -1.239 1.00 0.00 C ATOM 1156 C CYS A 72 12.593 -7.203 -2.477 1.00 0.00 C ATOM 1157 O CYS A 72 12.134 -6.072 -2.652 1.00 0.00 O ATOM 1158 CB CYS A 72 10.700 -8.207 -1.198 1.00 0.00 C ATOM 1159 SG CYS A 72 10.032 -9.123 -2.608 1.00 0.00 S ATOM 0 H CYS A 72 13.222 -6.431 -0.293 1.00 0.00 H new ATOM 0 HA CYS A 72 12.689 -8.980 -1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.444 -8.738 -0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.212 -7.233 -1.149 1.00 0.00 H new ATOM 0 HG CYS A 72 8.745 -9.247 -2.475 1.00 0.00 H new ATOM 1165 N ASP A 73 13.408 -7.792 -3.340 1.00 0.00 N ATOM 1166 CA ASP A 73 13.977 -7.072 -4.478 1.00 0.00 C ATOM 1167 C ASP A 73 12.964 -6.840 -5.599 1.00 0.00 C ATOM 1168 O ASP A 73 13.307 -6.863 -6.778 1.00 0.00 O ATOM 1169 CB ASP A 73 15.212 -7.797 -5.006 1.00 0.00 C ATOM 1170 CG ASP A 73 16.366 -7.719 -4.028 1.00 0.00 C ATOM 1171 OD1 ASP A 73 16.810 -6.590 -3.717 1.00 0.00 O ATOM 1172 OD2 ASP A 73 16.809 -8.781 -3.541 1.00 0.00 O ATOM 0 H ASP A 73 13.693 -8.769 -3.276 1.00 0.00 H new ATOM 0 HA ASP A 73 14.270 -6.087 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 73 14.967 -8.842 -5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 73 15.512 -7.360 -5.959 1.00 0.00 H new ATOM 1177 N HIS A 74 11.722 -6.596 -5.215 1.00 0.00 N ATOM 1178 CA HIS A 74 10.694 -6.174 -6.149 1.00 0.00 C ATOM 1179 C HIS A 74 10.254 -4.751 -5.822 1.00 0.00 C ATOM 1180 O HIS A 74 9.705 -4.054 -6.670 1.00 0.00 O ATOM 1181 CB HIS A 74 9.491 -7.123 -6.117 1.00 0.00 C ATOM 1182 CG HIS A 74 9.740 -8.454 -6.767 1.00 0.00 C ATOM 1183 ND1 HIS A 74 8.728 -9.248 -7.264 1.00 0.00 N ATOM 1184 CD2 HIS A 74 10.889 -9.136 -6.986 1.00 0.00 C ATOM 1185 CE1 HIS A 74 9.247 -10.360 -7.752 1.00 0.00 C ATOM 1186 NE2 HIS A 74 10.554 -10.315 -7.600 1.00 0.00 N ATOM 0 H HIS A 74 11.400 -6.685 -4.251 1.00 0.00 H new ATOM 0 HA HIS A 74 11.112 -6.201 -7.155 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.199 -7.287 -5.080 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.649 -6.641 -6.613 1.00 0.00 H new ATOM 0 HD1 HIS A 74 7.735 -9.013 -7.256 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.885 -8.811 -6.725 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.692 -11.171 -8.201 1.00 0.00 H new ATOM 1195 N TYR A 75 10.505 -4.322 -4.584 1.00 0.00 N ATOM 1196 CA TYR A 75 10.186 -2.959 -4.174 1.00 0.00 C ATOM 1197 C TYR A 75 11.433 -2.089 -4.282 1.00 0.00 C ATOM 1198 O TYR A 75 12.204 -1.997 -3.328 1.00 0.00 O ATOM 1199 CB TYR A 75 9.688 -2.891 -2.721 1.00 0.00 C ATOM 1200 CG TYR A 75 8.879 -4.077 -2.235 1.00 0.00 C ATOM 1201 CD1 TYR A 75 7.796 -4.570 -2.952 1.00 0.00 C ATOM 1202 CD2 TYR A 75 9.203 -4.695 -1.033 1.00 0.00 C ATOM 1203 CE1 TYR A 75 7.063 -5.647 -2.485 1.00 0.00 C ATOM 1204 CE2 TYR A 75 8.475 -5.768 -0.559 1.00 0.00 C ATOM 1205 CZ TYR A 75 7.406 -6.242 -1.288 1.00 0.00 C ATOM 1206 OH TYR A 75 6.681 -7.316 -0.818 1.00 0.00 O ATOM 0 H TYR A 75 10.926 -4.897 -3.854 1.00 0.00 H new ATOM 0 HA TYR A 75 9.394 -2.604 -4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.553 -2.775 -2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.081 -1.993 -2.609 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.522 -4.106 -3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.041 -4.329 -0.458 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.225 -6.021 -3.055 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.742 -6.233 0.378 1.00 0.00 H new ATOM 0 HH TYR A 75 6.317 -7.821 -1.575 1.00 0.00 H new ATOM 1216 N GLN A 76 11.651 -1.471 -5.435 1.00 0.00 N ATOM 1217 CA GLN A 76 12.854 -0.680 -5.643 1.00 0.00 C ATOM 1218 C GLN A 76 12.903 0.518 -4.698 1.00 0.00 C ATOM 1219 O GLN A 76 13.728 0.562 -3.785 1.00 0.00 O ATOM 1220 CB GLN A 76 12.964 -0.251 -7.116 1.00 0.00 C ATOM 1221 CG GLN A 76 11.750 0.486 -7.683 1.00 0.00 C ATOM 1222 CD GLN A 76 11.951 1.986 -7.799 1.00 0.00 C ATOM 1223 OE1 GLN A 76 13.071 2.465 -7.958 1.00 0.00 O ATOM 1224 NE2 GLN A 76 10.863 2.736 -7.733 1.00 0.00 N ATOM 0 H GLN A 76 11.017 -1.502 -6.233 1.00 0.00 H new ATOM 0 HA GLN A 76 13.719 -1.301 -5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.839 0.390 -7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.143 -1.139 -7.722 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.517 0.082 -8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.887 0.291 -7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.950 2.300 -7.600 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.937 3.750 -7.815 1.00 0.00 H new ATOM 1233 N ASN A 77 12.017 1.469 -4.935 1.00 0.00 N ATOM 1234 CA ASN A 77 11.865 2.680 -4.137 1.00 0.00 C ATOM 1235 C ASN A 77 13.080 3.616 -4.172 1.00 0.00 C ATOM 1236 O ASN A 77 12.909 4.811 -3.924 1.00 0.00 O ATOM 1237 CB ASN A 77 11.497 2.359 -2.685 1.00 0.00 C ATOM 1238 CG ASN A 77 10.099 1.792 -2.552 1.00 0.00 C ATOM 1239 OD1 ASN A 77 9.120 2.532 -2.554 1.00 0.00 O ATOM 1240 ND2 ASN A 77 10.000 0.484 -2.391 1.00 0.00 N ATOM 0 H ASN A 77 11.360 1.421 -5.714 1.00 0.00 H new ATOM 0 HA ASN A 77 11.044 3.218 -4.610 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.215 1.645 -2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.576 3.265 -2.085 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.084 0.054 -2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.839 -0.095 -2.396 1.00 0.00 H new ATOM 1247 N PHE A 78 14.273 3.067 -4.490 1.00 0.00 N ATOM 1248 CA PHE A 78 15.573 3.791 -4.536 1.00 0.00 C ATOM 1249 C PHE A 78 16.481 3.554 -3.302 1.00 0.00 C ATOM 1250 O PHE A 78 17.612 3.107 -3.477 1.00 0.00 O ATOM 1251 CB PHE A 78 15.407 5.300 -4.800 1.00 0.00 C ATOM 1252 CG PHE A 78 16.700 6.067 -4.827 1.00 0.00 C ATOM 1253 CD1 PHE A 78 17.541 5.997 -5.927 1.00 0.00 C ATOM 1254 CD2 PHE A 78 17.071 6.862 -3.753 1.00 0.00 C ATOM 1255 CE1 PHE A 78 18.729 6.705 -5.954 1.00 0.00 C ATOM 1256 CE2 PHE A 78 18.257 7.572 -3.775 1.00 0.00 C ATOM 1257 CZ PHE A 78 19.086 7.493 -4.876 1.00 0.00 C ATOM 0 H PHE A 78 14.366 2.080 -4.729 1.00 0.00 H new ATOM 0 HA PHE A 78 16.087 3.348 -5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 78 14.897 5.437 -5.753 1.00 0.00 H new ATOM 0 HB3 PHE A 78 14.762 5.723 -4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 78 17.266 5.383 -6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 78 16.426 6.927 -2.889 1.00 0.00 H new ATOM 0 HE1 PHE A 78 19.377 6.642 -6.816 1.00 0.00 H new ATOM 0 HE2 PHE A 78 18.535 8.188 -2.932 1.00 0.00 H new ATOM 0 HZ PHE A 78 20.013 8.047 -4.895 1.00 0.00 H new ATOM 1267 N PRO A 79 16.034 3.823 -2.052 1.00 0.00 N ATOM 1268 CA PRO A 79 16.901 3.777 -0.854 1.00 0.00 C ATOM 1269 C PRO A 79 17.309 2.367 -0.415 1.00 0.00 C ATOM 1270 O PRO A 79 17.781 2.205 0.710 1.00 0.00 O ATOM 1271 CB PRO A 79 16.054 4.445 0.240 1.00 0.00 C ATOM 1272 CG PRO A 79 14.912 5.066 -0.480 1.00 0.00 C ATOM 1273 CD PRO A 79 14.673 4.191 -1.665 1.00 0.00 C ATOM 0 HA PRO A 79 17.850 4.272 -1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 79 15.709 3.715 0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 79 16.631 5.193 0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 79 14.028 5.118 0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.147 6.086 -0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 79 14.071 3.318 -1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.151 4.719 -2.463 1.00 0.00 H new ATOM 1281 N LEU A 80 17.084 1.367 -1.287 1.00 0.00 N ATOM 1282 CA LEU A 80 17.290 -0.064 -0.970 1.00 0.00 C ATOM 1283 C LEU A 80 18.346 -0.329 0.104 1.00 0.00 C ATOM 1284 O LEU A 80 19.451 0.221 0.084 1.00 0.00 O ATOM 1285 CB LEU A 80 17.595 -0.882 -2.230 1.00 0.00 C ATOM 1286 CG LEU A 80 18.391 -0.192 -3.341 1.00 0.00 C ATOM 1287 CD1 LEU A 80 19.775 0.234 -2.873 1.00 0.00 C ATOM 1288 CD2 LEU A 80 18.503 -1.131 -4.512 1.00 0.00 C ATOM 0 H LEU A 80 16.752 1.527 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 80 16.341 -0.393 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.142 -1.775 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.647 -1.217 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 80 17.861 0.715 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.303 0.719 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.679 0.931 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.335 -0.643 -2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.068 -0.651 -5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.016 -2.041 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.506 -1.382 -4.874 1.00 0.00 H new ATOM 1300 N TYR A 81 17.980 -1.212 1.024 1.00 0.00 N ATOM 1301 CA TYR A 81 18.738 -1.450 2.238 1.00 0.00 C ATOM 1302 C TYR A 81 20.190 -1.800 1.931 1.00 0.00 C ATOM 1303 O TYR A 81 20.482 -2.626 1.062 1.00 0.00 O ATOM 1304 CB TYR A 81 18.074 -2.561 3.053 1.00 0.00 C ATOM 1305 CG TYR A 81 18.459 -2.562 4.511 1.00 0.00 C ATOM 1306 CD1 TYR A 81 18.153 -1.477 5.321 1.00 0.00 C ATOM 1307 CD2 TYR A 81 19.124 -3.640 5.079 1.00 0.00 C ATOM 1308 CE1 TYR A 81 18.497 -1.464 6.657 1.00 0.00 C ATOM 1309 CE2 TYR A 81 19.471 -3.635 6.416 1.00 0.00 C ATOM 1310 CZ TYR A 81 19.155 -2.545 7.199 1.00 0.00 C ATOM 1311 OH TYR A 81 19.501 -2.532 8.530 1.00 0.00 O ATOM 0 H TYR A 81 17.141 -1.786 0.945 1.00 0.00 H new ATOM 0 HA TYR A 81 18.743 -0.531 2.824 1.00 0.00 H new ATOM 0 HB2 TYR A 81 16.992 -2.460 2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.337 -3.525 2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 81 17.637 -0.628 4.898 1.00 0.00 H new ATOM 0 HD2 TYR A 81 19.373 -4.494 4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.252 -0.612 7.273 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.987 -4.481 6.846 1.00 0.00 H new ATOM 0 HH TYR A 81 19.958 -3.369 8.757 1.00 0.00 H new ATOM 1321 N LEU A 82 21.089 -1.163 2.664 1.00 0.00 N ATOM 1322 CA LEU A 82 22.515 -1.287 2.421 1.00 0.00 C ATOM 1323 C LEU A 82 23.036 -2.658 2.840 1.00 0.00 C ATOM 1324 O LEU A 82 24.127 -3.061 2.438 1.00 0.00 O ATOM 1325 CB LEU A 82 23.263 -0.182 3.164 1.00 0.00 C ATOM 1326 CG LEU A 82 22.783 1.238 2.858 1.00 0.00 C ATOM 1327 CD1 LEU A 82 23.573 2.252 3.668 1.00 0.00 C ATOM 1328 CD2 LEU A 82 22.903 1.535 1.368 1.00 0.00 C ATOM 0 H LEU A 82 20.851 -0.547 3.442 1.00 0.00 H new ATOM 0 HA LEU A 82 22.689 -1.183 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 82 23.171 -0.358 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 82 24.323 -0.252 2.919 1.00 0.00 H new ATOM 0 HG LEU A 82 21.733 1.314 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 82 23.219 3.257 3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 82 23.437 2.054 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 82 24.631 2.174 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 82 22.557 2.549 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 82 23.945 1.441 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 82 22.293 0.828 0.806 1.00 0.00 H new ATOM 1340 N GLY A 83 22.246 -3.373 3.634 1.00 0.00 N ATOM 1341 CA GLY A 83 22.634 -4.697 4.072 1.00 0.00 C ATOM 1342 C GLY A 83 22.733 -5.671 2.917 1.00 0.00 C ATOM 1343 O GLY A 83 21.727 -6.013 2.294 1.00 0.00 O ATOM 0 H GLY A 83 21.341 -3.056 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 83 23.595 -4.642 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.908 -5.066 4.796 1.00 0.00 H new ATOM 1347 N GLY A 84 23.949 -6.097 2.615 1.00 0.00 N ATOM 1348 CA GLY A 84 24.153 -7.049 1.545 1.00 0.00 C ATOM 1349 C GLY A 84 24.904 -6.449 0.375 1.00 0.00 C ATOM 1350 O GLY A 84 24.798 -5.250 0.106 1.00 0.00 O ATOM 0 H GLY A 84 24.800 -5.800 3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 84 24.706 -7.908 1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 84 23.187 -7.419 1.202 1.00 0.00 H new ATOM 1354 N GLU A 85 25.641 -7.294 -0.332 1.00 0.00 N ATOM 1355 CA GLU A 85 26.461 -6.871 -1.463 1.00 0.00 C ATOM 1356 C GLU A 85 25.618 -6.190 -2.533 1.00 0.00 C ATOM 1357 O GLU A 85 25.917 -5.081 -2.972 1.00 0.00 O ATOM 1358 CB GLU A 85 27.136 -8.093 -2.072 1.00 0.00 C ATOM 1359 CG GLU A 85 27.864 -8.955 -1.060 1.00 0.00 C ATOM 1360 CD GLU A 85 28.137 -10.344 -1.590 1.00 0.00 C ATOM 1361 OE1 GLU A 85 27.266 -11.222 -1.424 1.00 0.00 O ATOM 1362 OE2 GLU A 85 29.215 -10.558 -2.184 1.00 0.00 O ATOM 0 H GLU A 85 25.689 -8.294 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 85 27.203 -6.159 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 85 26.384 -8.699 -2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 85 27.844 -7.765 -2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 85 28.806 -8.479 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 85 27.269 -9.025 -0.149 1.00 0.00 H new ATOM 1369 N THR A 86 24.564 -6.873 -2.943 1.00 0.00 N ATOM 1370 CA THR A 86 23.687 -6.391 -3.997 1.00 0.00 C ATOM 1371 C THR A 86 22.713 -5.340 -3.467 1.00 0.00 C ATOM 1372 O THR A 86 22.062 -4.637 -4.244 1.00 0.00 O ATOM 1373 CB THR A 86 22.901 -7.573 -4.607 1.00 0.00 C ATOM 1374 OG1 THR A 86 22.126 -7.148 -5.733 1.00 0.00 O ATOM 1375 CG2 THR A 86 21.985 -8.210 -3.571 1.00 0.00 C ATOM 0 H THR A 86 24.292 -7.776 -2.556 1.00 0.00 H new ATOM 0 HA THR A 86 24.304 -5.927 -4.766 1.00 0.00 H new ATOM 0 HB THR A 86 23.630 -8.313 -4.939 1.00 0.00 H new ATOM 0 HG1 THR A 86 21.860 -6.213 -5.612 1.00 0.00 H new ATOM 0 HG21 THR A 86 21.443 -9.039 -4.025 1.00 0.00 H new ATOM 0 HG22 THR A 86 22.581 -8.580 -2.737 1.00 0.00 H new ATOM 0 HG23 THR A 86 21.274 -7.468 -3.208 1.00 0.00 H new ATOM 1383 N HIS A 87 22.653 -5.222 -2.136 1.00 0.00 N ATOM 1384 CA HIS A 87 21.651 -4.398 -1.453 1.00 0.00 C ATOM 1385 C HIS A 87 20.256 -4.981 -1.671 1.00 0.00 C ATOM 1386 O HIS A 87 19.970 -5.562 -2.717 1.00 0.00 O ATOM 1387 CB HIS A 87 21.698 -2.935 -1.912 1.00 0.00 C ATOM 1388 CG HIS A 87 23.009 -2.256 -1.650 1.00 0.00 C ATOM 1389 ND1 HIS A 87 23.693 -2.361 -0.458 1.00 0.00 N ATOM 1390 CD2 HIS A 87 23.758 -1.450 -2.438 1.00 0.00 C ATOM 1391 CE1 HIS A 87 24.800 -1.646 -0.525 1.00 0.00 C ATOM 1392 NE2 HIS A 87 24.863 -1.081 -1.713 1.00 0.00 N ATOM 0 H HIS A 87 23.298 -5.695 -1.503 1.00 0.00 H new ATOM 0 HA HIS A 87 21.885 -4.410 -0.388 1.00 0.00 H new ATOM 0 HB2 HIS A 87 21.486 -2.893 -2.980 1.00 0.00 H new ATOM 0 HB3 HIS A 87 20.906 -2.381 -1.408 1.00 0.00 H new ATOM 0 HD2 HIS A 87 23.528 -1.152 -3.450 1.00 0.00 H new ATOM 0 HE1 HIS A 87 25.532 -1.542 0.262 1.00 0.00 H new ATOM 0 HE2 HIS A 87 25.611 -0.469 -2.040 1.00 0.00 H new ATOM 1401 N GLU A 88 19.384 -4.832 -0.694 1.00 0.00 N ATOM 1402 CA GLU A 88 18.086 -5.473 -0.764 1.00 0.00 C ATOM 1403 C GLU A 88 16.980 -4.447 -0.868 1.00 0.00 C ATOM 1404 O GLU A 88 16.867 -3.536 -0.048 1.00 0.00 O ATOM 1405 CB GLU A 88 17.877 -6.421 0.421 1.00 0.00 C ATOM 1406 CG GLU A 88 18.135 -5.813 1.789 1.00 0.00 C ATOM 1407 CD GLU A 88 18.201 -6.870 2.874 1.00 0.00 C ATOM 1408 OE1 GLU A 88 17.450 -7.869 2.787 1.00 0.00 O ATOM 1409 OE2 GLU A 88 19.019 -6.727 3.802 1.00 0.00 O ATOM 0 H GLU A 88 19.547 -4.280 0.148 1.00 0.00 H new ATOM 0 HA GLU A 88 18.053 -6.077 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.852 -6.791 0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 88 18.531 -7.284 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.071 -5.256 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.345 -5.100 2.024 1.00 0.00 H new ATOM 1416 N HIS A 89 16.189 -4.588 -1.920 1.00 0.00 N ATOM 1417 CA HIS A 89 15.056 -3.709 -2.153 1.00 0.00 C ATOM 1418 C HIS A 89 14.080 -3.868 -1.002 1.00 0.00 C ATOM 1419 O HIS A 89 13.939 -4.966 -0.465 1.00 0.00 O ATOM 1420 CB HIS A 89 14.378 -4.055 -3.482 1.00 0.00 C ATOM 1421 CG HIS A 89 15.211 -3.773 -4.700 1.00 0.00 C ATOM 1422 ND1 HIS A 89 16.562 -4.035 -4.781 1.00 0.00 N ATOM 1423 CD2 HIS A 89 14.873 -3.221 -5.886 1.00 0.00 C ATOM 1424 CE1 HIS A 89 17.013 -3.642 -5.955 1.00 0.00 C ATOM 1425 NE2 HIS A 89 16.010 -3.149 -6.647 1.00 0.00 N ATOM 0 H HIS A 89 16.313 -5.309 -2.631 1.00 0.00 H new ATOM 0 HA HIS A 89 15.394 -2.674 -2.210 1.00 0.00 H new ATOM 0 HB2 HIS A 89 14.113 -5.112 -3.476 1.00 0.00 H new ATOM 0 HB3 HIS A 89 13.447 -3.494 -3.557 1.00 0.00 H new ATOM 0 HD2 HIS A 89 13.886 -2.896 -6.181 1.00 0.00 H new ATOM 0 HE1 HIS A 89 18.036 -3.713 -6.293 1.00 0.00 H new ATOM 0 HE2 HIS A 89 16.069 -2.775 -7.594 1.00 0.00 H new ATOM 1434 N TYR A 90 13.419 -2.797 -0.603 1.00 0.00 N ATOM 1435 CA TYR A 90 12.567 -2.870 0.569 1.00 0.00 C ATOM 1436 C TYR A 90 11.456 -1.840 0.528 1.00 0.00 C ATOM 1437 O TYR A 90 11.504 -0.867 -0.227 1.00 0.00 O ATOM 1438 CB TYR A 90 13.396 -2.683 1.847 1.00 0.00 C ATOM 1439 CG TYR A 90 13.784 -1.245 2.139 1.00 0.00 C ATOM 1440 CD1 TYR A 90 14.674 -0.556 1.320 1.00 0.00 C ATOM 1441 CD2 TYR A 90 13.262 -0.580 3.247 1.00 0.00 C ATOM 1442 CE1 TYR A 90 15.031 0.752 1.603 1.00 0.00 C ATOM 1443 CE2 TYR A 90 13.613 0.724 3.529 1.00 0.00 C ATOM 1444 CZ TYR A 90 14.498 1.385 2.708 1.00 0.00 C ATOM 1445 OH TYR A 90 14.850 2.683 2.997 1.00 0.00 O ATOM 0 H TYR A 90 13.453 -1.886 -1.061 1.00 0.00 H new ATOM 0 HA TYR A 90 12.109 -3.859 0.572 1.00 0.00 H new ATOM 0 HB2 TYR A 90 12.830 -3.072 2.693 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.303 -3.282 1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.091 -1.047 0.453 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.570 -1.095 3.897 1.00 0.00 H new ATOM 0 HE1 TYR A 90 15.724 1.275 0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.195 1.224 4.390 1.00 0.00 H new ATOM 0 HH TYR A 90 14.383 2.976 3.807 1.00 0.00 H new ATOM 1455 N GLY A 91 10.455 -2.087 1.349 1.00 0.00 N ATOM 1456 CA GLY A 91 9.387 -1.148 1.561 1.00 0.00 C ATOM 1457 C GLY A 91 8.863 -1.282 2.973 1.00 0.00 C ATOM 1458 O GLY A 91 9.360 -2.110 3.737 1.00 0.00 O ATOM 0 H GLY A 91 10.365 -2.949 1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.744 -0.132 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.584 -1.328 0.846 1.00 0.00 H new ATOM 1462 N ILE A 92 7.875 -0.490 3.334 1.00 0.00 N ATOM 1463 CA ILE A 92 7.339 -0.536 4.687 1.00 0.00 C ATOM 1464 C ILE A 92 5.974 -1.228 4.705 1.00 0.00 C ATOM 1465 O ILE A 92 5.024 -0.764 4.068 1.00 0.00 O ATOM 1466 CB ILE A 92 7.240 0.885 5.280 1.00 0.00 C ATOM 1467 CG1 ILE A 92 8.600 1.581 5.152 1.00 0.00 C ATOM 1468 CG2 ILE A 92 6.801 0.831 6.737 1.00 0.00 C ATOM 1469 CD1 ILE A 92 8.591 3.038 5.544 1.00 0.00 C ATOM 0 H ILE A 92 7.427 0.189 2.719 1.00 0.00 H new ATOM 0 HA ILE A 92 8.022 -1.117 5.306 1.00 0.00 H new ATOM 0 HB ILE A 92 6.491 1.453 4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.325 1.054 5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 92 8.943 1.496 4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 92 6.738 1.843 7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.824 0.352 6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.527 0.258 7.315 1.00 0.00 H new ATOM 0 HD11 ILE A 92 9.592 3.453 5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 92 7.894 3.582 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.281 3.133 6.585 1.00 0.00 H new ATOM 1481 N PRO A 93 5.871 -2.361 5.429 1.00 0.00 N ATOM 1482 CA PRO A 93 4.653 -3.177 5.481 1.00 0.00 C ATOM 1483 C PRO A 93 3.591 -2.606 6.416 1.00 0.00 C ATOM 1484 O PRO A 93 3.901 -2.078 7.487 1.00 0.00 O ATOM 1485 CB PRO A 93 5.163 -4.522 5.996 1.00 0.00 C ATOM 1486 CG PRO A 93 6.330 -4.177 6.854 1.00 0.00 C ATOM 1487 CD PRO A 93 6.949 -2.940 6.253 1.00 0.00 C ATOM 0 HA PRO A 93 4.157 -3.230 4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.395 -5.046 6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.454 -5.176 5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.016 -3.994 7.882 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.048 -4.997 6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.278 -2.244 7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.824 -3.185 5.650 1.00 0.00 H new ATOM 1495 N HIS A 94 2.337 -2.712 6.003 1.00 0.00 N ATOM 1496 CA HIS A 94 1.227 -2.184 6.783 1.00 0.00 C ATOM 1497 C HIS A 94 0.056 -3.147 6.775 1.00 0.00 C ATOM 1498 O HIS A 94 0.081 -4.173 6.095 1.00 0.00 O ATOM 1499 CB HIS A 94 0.762 -0.836 6.225 1.00 0.00 C ATOM 1500 CG HIS A 94 1.784 0.246 6.324 1.00 0.00 C ATOM 1501 ND1 HIS A 94 2.829 0.367 5.440 1.00 0.00 N ATOM 1502 CD2 HIS A 94 1.924 1.254 7.212 1.00 0.00 C ATOM 1503 CE1 HIS A 94 3.570 1.397 5.781 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.044 1.959 6.853 1.00 0.00 N ATOM 0 H HIS A 94 2.062 -3.160 5.129 1.00 0.00 H new ATOM 0 HA HIS A 94 1.581 -2.051 7.805 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.483 -0.964 5.179 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.136 -0.524 6.758 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.002 -0.247 4.644 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.275 1.465 8.049 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.461 1.729 5.269 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.985 -2.761 7.483 1.00 0.00 N ATOM 1514 CA GLY A 95 -2.184 -3.551 7.576 1.00 0.00 C ATOM 1515 C GLY A 95 -3.220 -2.806 8.373 1.00 0.00 C ATOM 1516 O GLY A 95 -2.882 -1.903 9.141 1.00 0.00 O ATOM 0 H GLY A 95 -1.019 -1.888 8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.566 -3.769 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.965 -4.508 8.050 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.476 -3.161 8.189 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.571 -2.383 8.743 1.00 0.00 C ATOM 1522 C PHE A 96 -6.680 -3.306 9.214 1.00 0.00 C ATOM 1523 O PHE A 96 -6.434 -4.464 9.534 1.00 0.00 O ATOM 1524 CB PHE A 96 -6.109 -1.406 7.683 1.00 0.00 C ATOM 1525 CG PHE A 96 -5.058 -0.507 7.095 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.737 0.696 7.701 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.386 -0.870 5.939 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.768 1.520 7.164 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.415 -0.050 5.399 1.00 0.00 C ATOM 1530 CZ PHE A 96 -3.106 1.147 6.013 1.00 0.00 C ATOM 0 H PHE A 96 -4.766 -3.984 7.660 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.204 -1.812 9.596 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.575 -1.977 6.880 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.889 -0.791 8.132 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.250 0.993 8.604 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.624 -1.805 5.455 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.528 2.457 7.645 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.898 -0.345 4.498 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.347 1.790 5.593 1.00 0.00 H new ATOM 1540 N SER A 97 -7.893 -2.794 9.243 1.00 0.00 N ATOM 1541 CA SER A 97 -9.041 -3.582 9.645 1.00 0.00 C ATOM 1542 C SER A 97 -10.307 -3.018 9.004 1.00 0.00 C ATOM 1543 O SER A 97 -11.218 -3.756 8.633 1.00 0.00 O ATOM 1544 CB SER A 97 -9.166 -3.584 11.175 1.00 0.00 C ATOM 1545 OG SER A 97 -9.152 -2.261 11.695 1.00 0.00 O ATOM 0 H SER A 97 -8.111 -1.830 8.991 1.00 0.00 H new ATOM 0 HA SER A 97 -8.908 -4.610 9.307 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.091 -4.082 11.466 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.346 -4.156 11.609 1.00 0.00 H new ATOM 0 HG SER A 97 -9.235 -2.292 12.671 1.00 0.00 H new ATOM 1551 N SER A 98 -10.352 -1.703 8.871 1.00 0.00 N ATOM 1552 CA SER A 98 -11.457 -1.046 8.204 1.00 0.00 C ATOM 1553 C SER A 98 -11.006 -0.499 6.852 1.00 0.00 C ATOM 1554 O SER A 98 -9.922 0.086 6.730 1.00 0.00 O ATOM 1555 CB SER A 98 -12.001 0.077 9.084 1.00 0.00 C ATOM 1556 OG SER A 98 -12.323 -0.407 10.376 1.00 0.00 O ATOM 0 H SER A 98 -9.632 -1.070 9.218 1.00 0.00 H new ATOM 0 HA SER A 98 -12.252 -1.771 8.033 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.261 0.874 9.163 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.888 0.510 8.622 1.00 0.00 H new ATOM 0 HG SER A 98 -12.668 0.328 10.924 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.831 -0.714 5.839 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.556 -0.223 4.495 1.00 0.00 C ATOM 1564 C ARG A 99 -11.450 1.302 4.492 1.00 0.00 C ATOM 1565 O ARG A 99 -10.545 1.871 3.880 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.655 -0.697 3.540 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.752 -2.214 3.451 1.00 0.00 C ATOM 1568 CD ARG A 99 -14.062 -2.671 2.830 1.00 0.00 C ATOM 1569 NE ARG A 99 -14.185 -2.279 1.430 1.00 0.00 N ATOM 1570 CZ ARG A 99 -15.324 -2.336 0.742 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -16.438 -2.772 1.319 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -15.349 -1.960 -0.530 1.00 0.00 N ATOM 0 H ARG A 99 -12.706 -1.231 5.923 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.601 -0.624 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.613 -0.296 3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.465 -0.292 2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.919 -2.595 2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.657 -2.641 4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -14.138 -3.756 2.908 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -14.894 -2.252 3.396 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.350 -1.942 0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.425 -3.066 2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -17.306 -2.813 0.786 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.496 -1.628 -0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.221 -2.003 -1.058 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.375 1.955 5.188 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.354 3.409 5.333 1.00 0.00 C ATOM 1588 C ILE A 100 -11.071 3.875 6.025 1.00 0.00 C ATOM 1589 O ILE A 100 -10.557 4.956 5.738 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.588 3.925 6.111 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -13.521 5.446 6.314 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.705 3.217 7.450 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -13.410 6.236 5.024 1.00 0.00 C ATOM 0 H ILE A 100 -13.153 1.498 5.664 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.385 3.828 4.327 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.475 3.704 5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.412 5.770 6.851 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.665 5.681 6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.578 3.592 7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.812 2.145 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.809 3.406 8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.368 7.301 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.504 5.942 4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.279 6.033 4.397 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.550 3.049 6.927 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.309 3.371 7.614 1.00 0.00 C ATOM 1607 C ALA A 101 -8.190 3.548 6.601 1.00 0.00 C ATOM 1608 O ALA A 101 -7.491 4.554 6.612 1.00 0.00 O ATOM 1609 CB ALA A 101 -8.950 2.294 8.624 1.00 0.00 C ATOM 0 H ALA A 101 -10.966 2.158 7.196 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.446 4.305 8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.018 2.560 9.123 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.746 2.209 9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.828 1.340 8.111 1.00 0.00 H new ATOM 1615 N LEU A 102 -8.055 2.578 5.706 1.00 0.00 N ATOM 1616 CA LEU A 102 -7.070 2.656 4.629 1.00 0.00 C ATOM 1617 C LEU A 102 -7.306 3.900 3.773 1.00 0.00 C ATOM 1618 O LEU A 102 -6.367 4.626 3.443 1.00 0.00 O ATOM 1619 CB LEU A 102 -7.139 1.390 3.765 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.281 1.401 2.496 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.823 1.666 2.831 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.416 0.081 1.758 1.00 0.00 C ATOM 0 H LEU A 102 -8.615 1.726 5.703 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.075 2.730 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.839 0.539 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.177 1.225 3.477 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.637 2.205 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.234 1.669 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.733 2.634 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.455 0.885 3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.801 0.103 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.086 -0.732 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.459 -0.076 1.481 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.569 4.144 3.449 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.971 5.280 2.622 1.00 0.00 C ATOM 1636 C GLU A 103 -8.471 6.597 3.227 1.00 0.00 C ATOM 1637 O GLU A 103 -7.746 7.357 2.581 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.504 5.280 2.496 1.00 0.00 C ATOM 1639 CG GLU A 103 -11.039 5.795 1.163 1.00 0.00 C ATOM 1640 CD GLU A 103 -11.015 7.304 1.035 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -11.083 7.996 2.068 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -10.955 7.805 -0.109 1.00 0.00 O ATOM 0 H GLU A 103 -9.348 3.559 3.752 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.525 5.188 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.866 4.263 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.920 5.890 3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.450 5.362 0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.063 5.445 1.034 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.839 6.847 4.479 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.466 8.087 5.161 1.00 0.00 C ATOM 1651 C ARG A 104 -6.970 8.135 5.485 1.00 0.00 C ATOM 1652 O ARG A 104 -6.393 9.213 5.619 1.00 0.00 O ATOM 1653 CB ARG A 104 -9.285 8.252 6.440 1.00 0.00 C ATOM 1654 CG ARG A 104 -9.055 7.165 7.476 1.00 0.00 C ATOM 1655 CD ARG A 104 -9.894 7.389 8.723 1.00 0.00 C ATOM 1656 NE ARG A 104 -9.703 8.728 9.283 1.00 0.00 N ATOM 1657 CZ ARG A 104 -8.886 9.011 10.297 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -8.196 8.045 10.895 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -8.778 10.261 10.726 1.00 0.00 N ATOM 0 H ARG A 104 -9.396 6.208 5.045 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.683 8.912 4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.049 9.218 6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.343 8.271 6.180 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.297 6.194 7.044 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.000 7.139 7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.947 7.245 8.481 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.634 6.642 9.473 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.231 9.496 8.869 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.290 7.080 10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.572 8.269 11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.319 11.002 10.280 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.154 10.482 11.502 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.344 6.978 5.631 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.915 6.929 5.896 1.00 0.00 C ATOM 1675 C TYR A 105 -4.102 7.241 4.645 1.00 0.00 C ATOM 1676 O TYR A 105 -3.090 7.929 4.730 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.505 5.586 6.496 1.00 0.00 C ATOM 1678 CG TYR A 105 -4.867 5.453 7.961 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -4.848 6.562 8.801 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -5.242 4.230 8.500 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -5.191 6.452 10.132 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -5.582 4.113 9.832 1.00 0.00 C ATOM 1683 CZ TYR A 105 -5.559 5.228 10.642 1.00 0.00 C ATOM 1684 OH TYR A 105 -5.912 5.119 11.967 1.00 0.00 O ATOM 0 H TYR A 105 -6.799 6.067 5.571 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.697 7.703 6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.984 4.783 5.935 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.429 5.457 6.381 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.560 7.524 8.404 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.268 3.356 7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.171 7.322 10.771 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.865 3.153 10.238 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.146 4.189 12.168 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.543 6.749 3.488 1.00 0.00 N ATOM 1695 CA LEU A 106 -3.927 7.141 2.219 1.00 0.00 C ATOM 1696 C LEU A 106 -4.065 8.646 2.051 1.00 0.00 C ATOM 1697 O LEU A 106 -3.144 9.335 1.602 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.599 6.436 1.035 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.439 4.917 0.984 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.223 4.346 -0.187 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -2.967 4.538 0.878 1.00 0.00 C ATOM 0 H LEU A 106 -5.314 6.087 3.402 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.876 6.851 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.664 6.669 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.198 6.855 0.112 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.835 4.494 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.101 3.263 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.279 4.590 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.851 4.775 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.872 3.453 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.545 4.969 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.429 4.921 1.745 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.236 9.126 2.443 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.568 10.542 2.434 1.00 0.00 C ATOM 1715 C ASN A 107 -4.529 11.355 3.194 1.00 0.00 C ATOM 1716 O ASN A 107 -3.900 12.253 2.646 1.00 0.00 O ATOM 1717 CB ASN A 107 -6.932 10.724 3.099 1.00 0.00 C ATOM 1718 CG ASN A 107 -7.430 12.151 3.081 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -7.096 12.949 3.954 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -8.266 12.468 2.112 1.00 0.00 N ATOM 0 H ASN A 107 -5.994 8.533 2.781 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.588 10.894 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.660 10.088 2.595 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.871 10.382 4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.662 13.407 2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.516 11.774 1.407 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.364 11.020 4.462 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.457 11.761 5.323 1.00 0.00 C ATOM 1729 C GLY A 108 -1.988 11.518 5.017 1.00 0.00 C ATOM 1730 O GLY A 108 -1.144 12.374 5.291 1.00 0.00 O ATOM 0 H GLY A 108 -4.844 10.243 4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.668 12.826 5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.652 11.490 6.361 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.673 10.356 4.465 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.288 9.992 4.192 1.00 0.00 C ATOM 1736 C LEU A 109 0.258 10.753 2.987 1.00 0.00 C ATOM 1737 O LEU A 109 1.319 11.375 3.064 1.00 0.00 O ATOM 1738 CB LEU A 109 -0.167 8.483 3.960 1.00 0.00 C ATOM 1739 CG LEU A 109 1.256 7.966 3.728 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.131 8.230 4.945 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.236 6.481 3.401 1.00 0.00 C ATOM 0 H LEU A 109 -2.356 9.648 4.197 1.00 0.00 H new ATOM 0 HA LEU A 109 0.306 10.266 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.587 7.965 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.778 8.215 3.098 1.00 0.00 H new ATOM 0 HG LEU A 109 1.680 8.503 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.137 7.855 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.174 9.302 5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.710 7.723 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.255 6.130 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.791 5.932 4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.648 6.315 2.499 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.464 10.706 1.876 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.003 11.349 0.655 1.00 0.00 C ATOM 1755 C PHE A 110 -0.563 12.762 0.523 1.00 0.00 C ATOM 1756 O PHE A 110 0.153 13.680 0.118 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.354 10.497 -0.566 1.00 0.00 C ATOM 1758 CG PHE A 110 0.527 9.285 -0.708 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.788 9.399 -1.273 1.00 0.00 C ATOM 1760 CD2 PHE A 110 0.107 8.037 -0.266 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.611 8.296 -1.398 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.929 6.931 -0.392 1.00 0.00 C ATOM 1763 CZ PHE A 110 2.181 7.062 -0.956 1.00 0.00 C ATOM 0 H PHE A 110 -1.364 10.233 1.795 1.00 0.00 H new ATOM 0 HA PHE A 110 1.082 11.435 0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.394 10.178 -0.493 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.271 11.108 -1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.131 10.362 -1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.871 7.929 0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.590 8.400 -1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.590 5.965 -0.049 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.824 6.199 -1.051 1.00 0.00 H new ATOM 1773 N GLY A 111 -1.829 12.935 0.879 1.00 0.00 N ATOM 1774 CA GLY A 111 -2.433 14.259 0.889 1.00 0.00 C ATOM 1775 C GLY A 111 -2.592 14.855 -0.497 1.00 0.00 C ATOM 1776 O GLY A 111 -1.982 15.879 -0.814 1.00 0.00 O ATOM 0 H GLY A 111 -2.453 12.180 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.411 14.201 1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.821 14.926 1.496 1.00 0.00 H new ATOM 1780 N ASP A 112 -3.405 14.218 -1.324 1.00 0.00 N ATOM 1781 CA ASP A 112 -3.655 14.679 -2.654 1.00 0.00 C ATOM 1782 C ASP A 112 -5.145 14.893 -2.835 1.00 0.00 C ATOM 1783 O ASP A 112 -5.842 15.320 -1.915 1.00 0.00 O ATOM 1784 CB ASP A 112 -3.098 13.656 -3.654 1.00 0.00 C ATOM 1785 CG ASP A 112 -3.740 12.288 -3.521 1.00 0.00 C ATOM 1786 OD1 ASP A 112 -3.292 11.497 -2.665 1.00 0.00 O ATOM 1787 OD2 ASP A 112 -4.679 11.990 -4.286 1.00 0.00 O ATOM 0 H ASP A 112 -3.906 13.364 -1.078 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.155 15.631 -2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -3.251 14.026 -4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -2.022 13.562 -3.508 1.00 0.00 H new TER 1792 ASP A 112