USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 904 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 96 MET CE :methyl -155:sc= -0.156 (180deg=-1.79) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= -0.0455 USER MOD Set 2.1: A 69 LYS NZ :NH3+ -157:sc= -0.0502 (180deg=-0.443) USER MOD Set 2.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 63 SER OG : rot -107:sc= -1.96 USER MOD Set 3.2: A 111 HIS :FLIP no HE2:sc= -0.989 F(o=-3.9,f=-2.9) USER MOD Set 4.1: A 62 THR OG1 : rot -170:sc= -1.24! USER MOD Set 4.2: A 65 SER OG : rot -170:sc= 0.323 USER MOD Set 5.1: A 31 THR OG1 : rot -92:sc= 0.651 USER MOD Set 5.2: A 32 HIS : no HD1:sc= -0.854 K(o=-0.2,f=-3.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0816 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 50:sc= 0.504 USER MOD Single : A 11 SER OG : rot 16:sc= 0.163 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 171:sc= -5.38! (180deg=-5.48!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= -0.62 (180deg=-1.29) USER MOD Single : A 47 ASN : amide:sc= -0.799 X(o=-0.8,f=-1.1) USER MOD Single : A 48 GLN : amide:sc= -0.615 K(o=-0.61,f=-2.9!) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0149 (180deg=-0.176) USER MOD Single : A 50 THR OG1 : rot 27:sc= 0.374 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0723 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00145 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 31:sc= 0.0722 USER MOD Single : A 80 TYR OH : rot 150:sc= -0.284 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -1.04 F(o=-2.1!,f=-1) USER MOD Single : A 89 THR OG1 : rot 65:sc= 0.143 USER MOD Single : A 90 MET CE :methyl 164:sc= -0.0526 (180deg=-0.374) USER MOD Single : A 91 TYR OH : rot 57:sc= -0.71! USER MOD Single : A 94 SER OG : rot 96:sc= -0.801 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0.00914 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0436 USER MOD Single : A 107 SER OG : rot 112:sc= 1.38 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -152:sc= 0.012 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.66 USER MOD Single : A 114 THR OG1 : rot -168:sc= 0.979 USER MOD Single : A 115 TYR OH : rot 168:sc= 0.0138 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.763 26.079 37.971 1.00 0.00 N ATOM 2 CA GLY A 1 3.510 24.745 37.458 1.00 0.00 C ATOM 3 C GLY A 1 2.672 23.908 38.404 1.00 0.00 C ATOM 4 O GLY A 1 2.962 23.831 39.598 1.00 0.00 O ATOM 0 H1 GLY A 1 4.339 26.610 37.288 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.859 26.572 38.118 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.272 26.012 38.875 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.002 24.819 36.497 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.460 24.242 37.278 1.00 0.00 H new ATOM 8 N SER A 2 1.629 23.281 37.871 1.00 0.00 N ATOM 9 CA SER A 2 0.743 22.450 38.677 1.00 0.00 C ATOM 10 C SER A 2 0.548 21.080 38.034 1.00 0.00 C ATOM 11 O SER A 2 0.783 20.905 36.838 1.00 0.00 O ATOM 12 CB SER A 2 -0.612 23.138 38.858 1.00 0.00 C ATOM 13 OG SER A 2 -1.420 22.984 37.705 1.00 0.00 O ATOM 0 H SER A 2 1.377 23.333 36.884 1.00 0.00 H new ATOM 0 HA SER A 2 1.206 22.311 39.654 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.124 22.718 39.724 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.461 24.198 39.061 1.00 0.00 H new ATOM 0 HG SER A 2 -2.281 23.431 37.847 1.00 0.00 H new ATOM 19 N SER A 3 0.116 20.113 38.836 1.00 0.00 N ATOM 20 CA SER A 3 -0.108 18.757 38.347 1.00 0.00 C ATOM 21 C SER A 3 -1.575 18.365 38.486 1.00 0.00 C ATOM 22 O SER A 3 -2.210 18.640 39.504 1.00 0.00 O ATOM 23 CB SER A 3 0.771 17.765 39.112 1.00 0.00 C ATOM 24 OG SER A 3 2.080 17.720 38.569 1.00 0.00 O ATOM 0 H SER A 3 -0.086 20.243 39.827 1.00 0.00 H new ATOM 0 HA SER A 3 0.159 18.729 37.291 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.819 18.052 40.162 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.323 16.772 39.073 1.00 0.00 H new ATOM 0 HG SER A 3 2.623 17.080 39.076 1.00 0.00 H new ATOM 30 N GLY A 4 -2.109 17.720 37.453 1.00 0.00 N ATOM 31 CA GLY A 4 -3.498 17.300 37.478 1.00 0.00 C ATOM 32 C GLY A 4 -4.169 17.432 36.125 1.00 0.00 C ATOM 33 O GLY A 4 -5.279 17.955 36.024 1.00 0.00 O ATOM 0 H GLY A 4 -1.604 17.481 36.599 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.555 16.263 37.808 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.042 17.898 38.210 1.00 0.00 H new ATOM 37 N SER A 5 -3.493 16.959 35.083 1.00 0.00 N ATOM 38 CA SER A 5 -4.028 17.032 33.729 1.00 0.00 C ATOM 39 C SER A 5 -3.680 15.774 32.939 1.00 0.00 C ATOM 40 O SER A 5 -2.830 14.985 33.350 1.00 0.00 O ATOM 41 CB SER A 5 -3.484 18.267 33.008 1.00 0.00 C ATOM 42 OG SER A 5 -4.115 18.444 31.752 1.00 0.00 O ATOM 0 H SER A 5 -2.574 16.521 35.151 1.00 0.00 H new ATOM 0 HA SER A 5 -5.113 17.109 33.798 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.642 19.151 33.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.408 18.165 32.867 1.00 0.00 H new ATOM 0 HG SER A 5 -3.751 19.241 31.312 1.00 0.00 H new ATOM 48 N SER A 6 -4.345 15.594 31.801 1.00 0.00 N ATOM 49 CA SER A 6 -4.110 14.431 30.954 1.00 0.00 C ATOM 50 C SER A 6 -2.693 14.448 30.389 1.00 0.00 C ATOM 51 O SER A 6 -2.087 15.507 30.233 1.00 0.00 O ATOM 52 CB SER A 6 -5.127 14.391 29.812 1.00 0.00 C ATOM 53 OG SER A 6 -4.905 15.449 28.895 1.00 0.00 O ATOM 0 H SER A 6 -5.050 16.239 31.445 1.00 0.00 H new ATOM 0 HA SER A 6 -4.227 13.537 31.566 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.058 13.435 29.293 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.136 14.462 30.217 1.00 0.00 H new ATOM 0 HG SER A 6 -5.566 15.401 28.174 1.00 0.00 H new ATOM 59 N GLY A 7 -2.170 13.264 30.083 1.00 0.00 N ATOM 60 CA GLY A 7 -0.829 13.164 29.538 1.00 0.00 C ATOM 61 C GLY A 7 -0.807 13.279 28.027 1.00 0.00 C ATOM 62 O GLY A 7 -1.133 14.329 27.472 1.00 0.00 O ATOM 0 H GLY A 7 -2.651 12.373 30.203 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.206 13.948 29.968 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.390 12.211 29.833 1.00 0.00 H new ATOM 66 N PHE A 8 -0.419 12.198 27.358 1.00 0.00 N ATOM 67 CA PHE A 8 -0.352 12.183 25.902 1.00 0.00 C ATOM 68 C PHE A 8 0.436 13.382 25.381 1.00 0.00 C ATOM 69 O PHE A 8 -0.032 14.144 24.534 1.00 0.00 O ATOM 70 CB PHE A 8 -1.762 12.187 25.306 1.00 0.00 C ATOM 71 CG PHE A 8 -2.349 10.814 25.146 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.749 10.084 26.254 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.499 10.252 23.888 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.290 8.821 26.111 1.00 0.00 C ATOM 75 CE2 PHE A 8 -3.040 8.989 23.739 1.00 0.00 C ATOM 76 CZ PHE A 8 -3.435 8.272 24.851 1.00 0.00 C ATOM 0 H PHE A 8 -0.146 11.321 27.802 1.00 0.00 H new ATOM 0 HA PHE A 8 0.162 11.272 25.596 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.416 12.781 25.945 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.735 12.678 24.333 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.636 10.508 27.241 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.190 10.807 23.015 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.599 8.263 26.983 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.154 8.563 22.753 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.856 7.284 24.736 1.00 0.00 H new ATOM 86 N PRO A 9 1.661 13.554 25.898 1.00 0.00 N ATOM 87 CA PRO A 9 2.540 14.657 25.501 1.00 0.00 C ATOM 88 C PRO A 9 3.058 14.501 24.075 1.00 0.00 C ATOM 89 O PRO A 9 3.771 15.366 23.564 1.00 0.00 O ATOM 90 CB PRO A 9 3.695 14.568 26.502 1.00 0.00 C ATOM 91 CG PRO A 9 3.714 13.142 26.933 1.00 0.00 C ATOM 92 CD PRO A 9 2.282 12.684 26.911 1.00 0.00 C ATOM 0 HA PRO A 9 2.021 15.616 25.512 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.641 14.855 26.042 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.537 15.236 27.349 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.327 12.540 26.262 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.141 13.042 27.931 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.201 11.631 26.641 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.808 12.800 27.886 1.00 0.00 H new ATOM 100 N THR A 10 2.695 13.393 23.436 1.00 0.00 N ATOM 101 CA THR A 10 3.123 13.124 22.070 1.00 0.00 C ATOM 102 C THR A 10 2.698 14.245 21.129 1.00 0.00 C ATOM 103 O THR A 10 1.699 14.128 20.419 1.00 0.00 O ATOM 104 CB THR A 10 2.549 11.791 21.554 1.00 0.00 C ATOM 105 OG1 THR A 10 1.123 11.789 21.683 1.00 0.00 O ATOM 106 CG2 THR A 10 3.134 10.616 22.322 1.00 0.00 C ATOM 0 H THR A 10 2.105 12.667 23.844 1.00 0.00 H new ATOM 0 HA THR A 10 4.211 13.061 22.087 1.00 0.00 H new ATOM 0 HB THR A 10 2.819 11.688 20.503 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.758 12.610 21.292 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.714 9.686 21.940 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.217 10.603 22.198 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.892 10.716 23.380 1.00 0.00 H new ATOM 114 N SER A 11 3.462 15.333 21.128 1.00 0.00 N ATOM 115 CA SER A 11 3.162 16.477 20.276 1.00 0.00 C ATOM 116 C SER A 11 4.445 17.167 19.821 1.00 0.00 C ATOM 117 O SER A 11 5.395 17.306 20.591 1.00 0.00 O ATOM 118 CB SER A 11 2.270 17.473 21.019 1.00 0.00 C ATOM 119 OG SER A 11 0.918 17.051 21.011 1.00 0.00 O ATOM 0 H SER A 11 4.293 15.446 21.708 1.00 0.00 H new ATOM 0 HA SER A 11 2.633 16.114 19.395 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.615 17.578 22.047 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.350 18.455 20.554 1.00 0.00 H new ATOM 0 HG SER A 11 0.873 16.103 20.767 1.00 0.00 H new ATOM 125 N VAL A 12 4.464 17.597 18.563 1.00 0.00 N ATOM 126 CA VAL A 12 5.629 18.274 18.005 1.00 0.00 C ATOM 127 C VAL A 12 5.305 19.720 17.646 1.00 0.00 C ATOM 128 O VAL A 12 4.509 20.000 16.750 1.00 0.00 O ATOM 129 CB VAL A 12 6.150 17.549 16.749 1.00 0.00 C ATOM 130 CG1 VAL A 12 6.923 16.298 17.136 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.998 17.207 15.816 1.00 0.00 C ATOM 0 H VAL A 12 3.687 17.489 17.912 1.00 0.00 H new ATOM 0 HA VAL A 12 6.403 18.258 18.773 1.00 0.00 H new ATOM 0 HB VAL A 12 6.830 18.217 16.221 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.283 15.800 16.236 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.772 16.574 17.762 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.269 15.623 17.688 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.384 16.695 14.934 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.292 16.557 16.333 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.492 18.123 15.512 1.00 0.00 H new ATOM 141 N PRO A 13 5.936 20.662 18.362 1.00 0.00 N ATOM 142 CA PRO A 13 5.732 22.096 18.137 1.00 0.00 C ATOM 143 C PRO A 13 6.325 22.565 16.813 1.00 0.00 C ATOM 144 O PRO A 13 7.545 22.603 16.647 1.00 0.00 O ATOM 145 CB PRO A 13 6.466 22.747 19.312 1.00 0.00 C ATOM 146 CG PRO A 13 7.500 21.752 19.712 1.00 0.00 C ATOM 147 CD PRO A 13 6.898 20.400 19.446 1.00 0.00 C ATOM 0 HA PRO A 13 4.674 22.354 18.082 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.920 23.694 19.019 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.784 22.961 20.135 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.417 21.890 19.139 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.762 21.863 20.764 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.655 19.675 19.145 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.406 19.998 20.332 1.00 0.00 H new ATOM 155 N ASP A 14 5.456 22.923 15.875 1.00 0.00 N ATOM 156 CA ASP A 14 5.894 23.392 14.565 1.00 0.00 C ATOM 157 C ASP A 14 4.841 24.294 13.930 1.00 0.00 C ATOM 158 O ASP A 14 3.645 24.004 13.986 1.00 0.00 O ATOM 159 CB ASP A 14 6.188 22.205 13.647 1.00 0.00 C ATOM 160 CG ASP A 14 7.392 21.403 14.103 1.00 0.00 C ATOM 161 OD1 ASP A 14 8.451 22.015 14.353 1.00 0.00 O ATOM 162 OD2 ASP A 14 7.274 20.164 14.210 1.00 0.00 O ATOM 0 H ASP A 14 4.444 22.898 15.997 1.00 0.00 H new ATOM 0 HA ASP A 14 6.807 23.971 14.701 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.315 21.554 13.609 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.359 22.567 12.633 1.00 0.00 H new ATOM 167 N LEU A 15 5.292 25.388 13.327 1.00 0.00 N ATOM 168 CA LEU A 15 4.388 26.334 12.682 1.00 0.00 C ATOM 169 C LEU A 15 3.752 25.718 11.440 1.00 0.00 C ATOM 170 O LEU A 15 2.535 25.771 11.262 1.00 0.00 O ATOM 171 CB LEU A 15 5.139 27.612 12.304 1.00 0.00 C ATOM 172 CG LEU A 15 5.940 28.276 13.425 1.00 0.00 C ATOM 173 CD1 LEU A 15 7.149 29.003 12.858 1.00 0.00 C ATOM 174 CD2 LEU A 15 5.059 29.234 14.213 1.00 0.00 C ATOM 0 H LEU A 15 6.278 25.642 13.271 1.00 0.00 H new ATOM 0 HA LEU A 15 3.596 26.582 13.389 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.821 27.380 11.486 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.417 28.335 11.923 1.00 0.00 H new ATOM 0 HG LEU A 15 6.295 27.499 14.103 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.707 29.469 13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.791 28.291 12.339 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.817 29.770 12.158 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.645 29.698 15.007 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.675 30.006 13.547 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.225 28.685 14.651 1.00 0.00 H new ATOM 186 N SER A 16 4.583 25.133 10.584 1.00 0.00 N ATOM 187 CA SER A 16 4.102 24.508 9.357 1.00 0.00 C ATOM 188 C SER A 16 4.339 23.001 9.386 1.00 0.00 C ATOM 189 O SER A 16 4.994 22.480 10.290 1.00 0.00 O ATOM 190 CB SER A 16 4.798 25.121 8.141 1.00 0.00 C ATOM 191 OG SER A 16 4.304 26.422 7.873 1.00 0.00 O ATOM 0 H SER A 16 5.593 25.079 10.717 1.00 0.00 H new ATOM 0 HA SER A 16 3.030 24.689 9.283 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.873 25.166 8.317 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.644 24.484 7.270 1.00 0.00 H new ATOM 0 HG SER A 16 4.766 26.793 7.092 1.00 0.00 H new ATOM 197 N THR A 17 3.801 22.304 8.390 1.00 0.00 N ATOM 198 CA THR A 17 3.951 20.857 8.301 1.00 0.00 C ATOM 199 C THR A 17 4.384 20.435 6.902 1.00 0.00 C ATOM 200 O THR A 17 4.055 21.076 5.904 1.00 0.00 O ATOM 201 CB THR A 17 2.640 20.133 8.660 1.00 0.00 C ATOM 202 OG1 THR A 17 1.577 20.600 7.823 1.00 0.00 O ATOM 203 CG2 THR A 17 2.279 20.360 10.121 1.00 0.00 C ATOM 0 H THR A 17 3.257 22.719 7.633 1.00 0.00 H new ATOM 0 HA THR A 17 4.722 20.574 9.018 1.00 0.00 H new ATOM 0 HB THR A 17 2.785 19.065 8.500 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.748 20.133 8.057 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.350 19.839 10.351 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.077 19.977 10.757 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.152 21.427 10.303 1.00 0.00 H new ATOM 211 N PRO A 18 5.140 19.330 6.824 1.00 0.00 N ATOM 212 CA PRO A 18 5.634 18.797 5.551 1.00 0.00 C ATOM 213 C PRO A 18 4.516 18.210 4.695 1.00 0.00 C ATOM 214 O PRO A 18 3.336 18.362 5.010 1.00 0.00 O ATOM 215 CB PRO A 18 6.610 17.699 5.981 1.00 0.00 C ATOM 216 CG PRO A 18 6.139 17.280 7.330 1.00 0.00 C ATOM 217 CD PRO A 18 5.571 18.516 7.972 1.00 0.00 C ATOM 0 HA PRO A 18 6.088 19.572 4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.599 16.864 5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.634 18.071 6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.384 16.497 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.960 16.875 7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.737 18.279 8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.317 19.034 8.575 1.00 0.00 H new ATOM 225 N MET A 19 4.895 17.540 3.612 1.00 0.00 N ATOM 226 CA MET A 19 3.923 16.929 2.713 1.00 0.00 C ATOM 227 C MET A 19 2.890 16.124 3.494 1.00 0.00 C ATOM 228 O MET A 19 3.069 15.853 4.683 1.00 0.00 O ATOM 229 CB MET A 19 4.631 16.027 1.700 1.00 0.00 C ATOM 230 CG MET A 19 5.575 16.776 0.774 1.00 0.00 C ATOM 231 SD MET A 19 5.712 16.005 -0.851 1.00 0.00 S ATOM 232 CE MET A 19 3.988 15.922 -1.332 1.00 0.00 C ATOM 0 H MET A 19 5.868 17.406 3.336 1.00 0.00 H new ATOM 0 HA MET A 19 3.407 17.727 2.180 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.193 15.263 2.237 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.882 15.510 1.101 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.225 17.802 0.657 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.563 16.827 1.232 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.916 15.618 -2.376 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.470 15.196 -0.706 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.528 16.902 -1.207 1.00 0.00 H new ATOM 242 N LEU A 20 1.810 15.743 2.821 1.00 0.00 N ATOM 243 CA LEU A 20 0.748 14.969 3.452 1.00 0.00 C ATOM 244 C LEU A 20 0.435 13.713 2.644 1.00 0.00 C ATOM 245 O LEU A 20 -0.035 13.778 1.508 1.00 0.00 O ATOM 246 CB LEU A 20 -0.514 15.821 3.600 1.00 0.00 C ATOM 247 CG LEU A 20 -1.499 15.381 4.683 1.00 0.00 C ATOM 248 CD1 LEU A 20 -1.937 13.943 4.453 1.00 0.00 C ATOM 249 CD2 LEU A 20 -0.878 15.537 6.064 1.00 0.00 C ATOM 0 H LEU A 20 1.647 15.958 1.837 1.00 0.00 H new ATOM 0 HA LEU A 20 1.092 14.667 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.212 16.848 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.037 15.829 2.644 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.380 16.021 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.638 13.647 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.422 13.861 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.066 13.288 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.593 15.219 6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.019 14.922 6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.615 16.582 6.229 1.00 0.00 H new ATOM 261 N PRO A 21 0.700 12.543 3.243 1.00 0.00 N ATOM 262 CA PRO A 21 0.452 11.250 2.598 1.00 0.00 C ATOM 263 C PRO A 21 -1.037 10.951 2.452 1.00 0.00 C ATOM 264 O PRO A 21 -1.881 11.534 3.132 1.00 0.00 O ATOM 265 CB PRO A 21 1.108 10.247 3.550 1.00 0.00 C ATOM 266 CG PRO A 21 1.099 10.923 4.877 1.00 0.00 C ATOM 267 CD PRO A 21 1.261 12.391 4.596 1.00 0.00 C ATOM 0 HA PRO A 21 0.849 11.218 1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.554 9.309 3.580 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.123 10.008 3.235 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.167 10.728 5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.908 10.555 5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.726 13.001 5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.307 12.694 4.634 1.00 0.00 H new ATOM 275 N PRO A 22 -1.368 10.020 1.545 1.00 0.00 N ATOM 276 CA PRO A 22 -2.755 9.621 1.290 1.00 0.00 C ATOM 277 C PRO A 22 -3.358 8.843 2.455 1.00 0.00 C ATOM 278 O PRO A 22 -2.718 8.659 3.490 1.00 0.00 O ATOM 279 CB PRO A 22 -2.647 8.731 0.050 1.00 0.00 C ATOM 280 CG PRO A 22 -1.256 8.199 0.087 1.00 0.00 C ATOM 281 CD PRO A 22 -0.413 9.284 0.700 1.00 0.00 C ATOM 0 HA PRO A 22 -3.409 10.483 1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.380 7.925 0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.830 9.299 -0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.204 7.284 0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.906 7.952 -0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.408 8.872 1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.030 9.927 -0.061 1.00 0.00 H new ATOM 289 N VAL A 23 -4.594 8.386 2.278 1.00 0.00 N ATOM 290 CA VAL A 23 -5.283 7.625 3.314 1.00 0.00 C ATOM 291 C VAL A 23 -6.266 6.632 2.704 1.00 0.00 C ATOM 292 O VAL A 23 -6.336 6.480 1.485 1.00 0.00 O ATOM 293 CB VAL A 23 -6.042 8.553 4.281 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.072 9.459 5.023 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.080 9.372 3.528 1.00 0.00 C ATOM 0 H VAL A 23 -5.138 8.529 1.427 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.518 7.081 3.869 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.561 7.938 5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.626 10.107 5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.371 8.851 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.523 10.069 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.607 10.022 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.585 9.979 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.793 8.702 3.047 1.00 0.00 H new ATOM 305 N GLY A 24 -7.024 5.956 3.562 1.00 0.00 N ATOM 306 CA GLY A 24 -7.994 4.985 3.089 1.00 0.00 C ATOM 307 C GLY A 24 -7.406 4.027 2.071 1.00 0.00 C ATOM 308 O GLY A 24 -8.116 3.523 1.201 1.00 0.00 O ATOM 0 H GLY A 24 -6.984 6.063 4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.379 4.418 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.840 5.508 2.644 1.00 0.00 H new ATOM 312 N VAL A 25 -6.105 3.776 2.179 1.00 0.00 N ATOM 313 CA VAL A 25 -5.422 2.873 1.261 1.00 0.00 C ATOM 314 C VAL A 25 -6.011 1.469 1.331 1.00 0.00 C ATOM 315 O VAL A 25 -5.862 0.773 2.336 1.00 0.00 O ATOM 316 CB VAL A 25 -3.914 2.801 1.563 1.00 0.00 C ATOM 317 CG1 VAL A 25 -3.149 2.297 0.348 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.393 4.161 2.003 1.00 0.00 C ATOM 0 H VAL A 25 -5.503 4.186 2.893 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.565 3.274 0.258 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.759 2.096 2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.085 2.253 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.504 1.301 0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.309 2.975 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.326 4.091 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.560 4.889 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.919 4.478 2.903 1.00 0.00 H new ATOM 328 N GLN A 26 -6.679 1.059 0.258 1.00 0.00 N ATOM 329 CA GLN A 26 -7.291 -0.264 0.199 1.00 0.00 C ATOM 330 C GLN A 26 -6.612 -1.131 -0.856 1.00 0.00 C ATOM 331 O GLN A 26 -6.546 -0.763 -2.028 1.00 0.00 O ATOM 332 CB GLN A 26 -8.785 -0.145 -0.107 1.00 0.00 C ATOM 333 CG GLN A 26 -9.473 -1.485 -0.312 1.00 0.00 C ATOM 334 CD GLN A 26 -10.972 -1.350 -0.494 1.00 0.00 C ATOM 335 OE1 GLN A 26 -11.754 -1.814 0.336 1.00 0.00 O ATOM 336 NE2 GLN A 26 -11.381 -0.711 -1.584 1.00 0.00 N ATOM 0 H GLN A 26 -6.810 1.623 -0.582 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.163 -0.739 1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.274 0.384 0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.917 0.462 -1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.048 -1.977 -1.186 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.271 -2.127 0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.698 -0.342 -2.246 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.378 -0.589 -1.760 1.00 0.00 H new ATOM 345 N ALA A 27 -6.107 -2.285 -0.431 1.00 0.00 N ATOM 346 CA ALA A 27 -5.434 -3.205 -1.339 1.00 0.00 C ATOM 347 C ALA A 27 -6.373 -4.322 -1.784 1.00 0.00 C ATOM 348 O ALA A 27 -6.558 -5.310 -1.074 1.00 0.00 O ATOM 349 CB ALA A 27 -4.194 -3.788 -0.677 1.00 0.00 C ATOM 0 H ALA A 27 -6.152 -2.605 0.537 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.131 -2.646 -2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.701 -4.473 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.509 -2.982 -0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.483 -4.327 0.226 1.00 0.00 H new ATOM 355 N VAL A 28 -6.964 -4.157 -2.963 1.00 0.00 N ATOM 356 CA VAL A 28 -7.883 -5.151 -3.503 1.00 0.00 C ATOM 357 C VAL A 28 -7.153 -6.148 -4.396 1.00 0.00 C ATOM 358 O VAL A 28 -6.319 -5.766 -5.217 1.00 0.00 O ATOM 359 CB VAL A 28 -9.015 -4.489 -4.310 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.053 -5.522 -4.722 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.657 -3.368 -3.507 1.00 0.00 C ATOM 0 H VAL A 28 -6.822 -3.344 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.314 -5.678 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.587 -4.058 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.845 -5.035 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.581 -6.287 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.478 -5.985 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.455 -2.912 -4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.071 -3.773 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.906 -2.615 -3.268 1.00 0.00 H new ATOM 371 N ALA A 29 -7.472 -7.427 -4.230 1.00 0.00 N ATOM 372 CA ALA A 29 -6.848 -8.479 -5.023 1.00 0.00 C ATOM 373 C ALA A 29 -7.749 -8.905 -6.177 1.00 0.00 C ATOM 374 O ALA A 29 -8.818 -9.480 -5.964 1.00 0.00 O ATOM 375 CB ALA A 29 -6.513 -9.674 -4.143 1.00 0.00 C ATOM 0 H ALA A 29 -8.159 -7.760 -3.553 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.925 -8.082 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.048 -10.452 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.824 -9.365 -3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.427 -10.062 -3.693 1.00 0.00 H new ATOM 381 N LEU A 30 -7.313 -8.618 -7.399 1.00 0.00 N ATOM 382 CA LEU A 30 -8.082 -8.971 -8.587 1.00 0.00 C ATOM 383 C LEU A 30 -7.915 -10.450 -8.925 1.00 0.00 C ATOM 384 O LEU A 30 -8.896 -11.175 -9.088 1.00 0.00 O ATOM 385 CB LEU A 30 -7.643 -8.113 -9.775 1.00 0.00 C ATOM 386 CG LEU A 30 -7.521 -6.612 -9.510 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.610 -5.961 -10.539 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.894 -5.955 -9.518 1.00 0.00 C ATOM 0 H LEU A 30 -6.432 -8.142 -7.593 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.135 -8.782 -8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.678 -8.479 -10.125 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.354 -8.262 -10.587 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.079 -6.471 -8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.535 -4.893 -10.335 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.619 -6.411 -10.484 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.022 -6.111 -11.537 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.787 -4.887 -9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.364 -6.105 -10.490 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.516 -6.402 -8.742 1.00 0.00 H new ATOM 400 N THR A 31 -6.665 -10.891 -9.026 1.00 0.00 N ATOM 401 CA THR A 31 -6.369 -12.283 -9.342 1.00 0.00 C ATOM 402 C THR A 31 -5.082 -12.739 -8.664 1.00 0.00 C ATOM 403 O THR A 31 -4.396 -11.948 -8.016 1.00 0.00 O ATOM 404 CB THR A 31 -6.239 -12.498 -10.862 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.545 -13.857 -11.192 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.834 -12.159 -11.338 1.00 0.00 C ATOM 0 H THR A 31 -5.841 -10.304 -8.894 1.00 0.00 H new ATOM 0 HA THR A 31 -7.203 -12.877 -8.968 1.00 0.00 H new ATOM 0 HB THR A 31 -6.945 -11.835 -11.363 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.721 -14.387 -11.192 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.766 -12.318 -12.414 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.615 -11.116 -11.111 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.113 -12.800 -10.830 1.00 0.00 H new ATOM 414 N HIS A 32 -4.760 -14.019 -8.817 1.00 0.00 N ATOM 415 CA HIS A 32 -3.554 -14.581 -8.219 1.00 0.00 C ATOM 416 C HIS A 32 -2.360 -13.655 -8.433 1.00 0.00 C ATOM 417 O HIS A 32 -1.608 -13.371 -7.500 1.00 0.00 O ATOM 418 CB HIS A 32 -3.258 -15.958 -8.814 1.00 0.00 C ATOM 419 CG HIS A 32 -3.248 -15.975 -10.311 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.398 -16.018 -11.071 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.219 -15.952 -11.190 1.00 0.00 C ATOM 422 CE1 HIS A 32 -4.077 -16.022 -12.353 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.760 -15.983 -12.452 1.00 0.00 N ATOM 0 H HIS A 32 -5.317 -14.687 -9.350 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.724 -14.685 -7.147 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.290 -16.302 -8.449 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.004 -16.667 -8.456 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.168 -15.916 -10.945 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.772 -16.052 -13.179 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.231 -15.977 -13.324 1.00 0.00 H new ATOM 432 N ASP A 33 -2.192 -13.189 -9.665 1.00 0.00 N ATOM 433 CA ASP A 33 -1.090 -12.295 -10.001 1.00 0.00 C ATOM 434 C ASP A 33 -1.608 -10.908 -10.369 1.00 0.00 C ATOM 435 O ASP A 33 -1.136 -10.291 -11.323 1.00 0.00 O ATOM 436 CB ASP A 33 -0.273 -12.871 -11.159 1.00 0.00 C ATOM 437 CG ASP A 33 -1.006 -12.788 -12.483 1.00 0.00 C ATOM 438 OD1 ASP A 33 -2.071 -13.429 -12.612 1.00 0.00 O ATOM 439 OD2 ASP A 33 -0.516 -12.084 -13.390 1.00 0.00 O ATOM 0 H ASP A 33 -2.805 -13.415 -10.448 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.449 -12.203 -9.124 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.672 -12.333 -11.236 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.031 -13.912 -10.946 1.00 0.00 H new ATOM 444 N ALA A 34 -2.584 -10.425 -9.606 1.00 0.00 N ATOM 445 CA ALA A 34 -3.165 -9.111 -9.851 1.00 0.00 C ATOM 446 C ALA A 34 -3.751 -8.523 -8.572 1.00 0.00 C ATOM 447 O ALA A 34 -4.474 -9.199 -7.840 1.00 0.00 O ATOM 448 CB ALA A 34 -4.233 -9.199 -10.931 1.00 0.00 C ATOM 0 H ALA A 34 -2.988 -10.924 -8.814 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.371 -8.448 -10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.658 -8.210 -11.104 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.787 -9.568 -11.854 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.020 -9.881 -10.610 1.00 0.00 H new ATOM 454 N VAL A 35 -3.435 -7.259 -8.308 1.00 0.00 N ATOM 455 CA VAL A 35 -3.931 -6.580 -7.117 1.00 0.00 C ATOM 456 C VAL A 35 -4.205 -5.107 -7.398 1.00 0.00 C ATOM 457 O VAL A 35 -3.295 -4.349 -7.736 1.00 0.00 O ATOM 458 CB VAL A 35 -2.931 -6.691 -5.950 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.167 -5.581 -4.937 1.00 0.00 C ATOM 460 CG2 VAL A 35 -3.033 -8.058 -5.290 1.00 0.00 C ATOM 0 H VAL A 35 -2.838 -6.685 -8.903 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.862 -7.073 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.922 -6.579 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.452 -5.676 -4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.039 -4.613 -5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.180 -5.658 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.320 -8.119 -4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.043 -8.202 -4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.809 -8.833 -6.023 1.00 0.00 H new ATOM 470 N ARG A 36 -5.464 -4.707 -7.256 1.00 0.00 N ATOM 471 CA ARG A 36 -5.859 -3.324 -7.496 1.00 0.00 C ATOM 472 C ARG A 36 -5.756 -2.500 -6.216 1.00 0.00 C ATOM 473 O ARG A 36 -6.521 -2.702 -5.272 1.00 0.00 O ATOM 474 CB ARG A 36 -7.287 -3.266 -8.040 1.00 0.00 C ATOM 475 CG ARG A 36 -7.857 -1.858 -8.105 1.00 0.00 C ATOM 476 CD ARG A 36 -7.138 -1.013 -9.145 1.00 0.00 C ATOM 477 NE ARG A 36 -7.639 -1.263 -10.494 1.00 0.00 N ATOM 478 CZ ARG A 36 -8.789 -0.782 -10.952 1.00 0.00 C ATOM 479 NH1 ARG A 36 -9.553 -0.029 -10.173 1.00 0.00 N ATOM 480 NH2 ARG A 36 -9.177 -1.053 -12.192 1.00 0.00 N ATOM 0 H ARG A 36 -6.229 -5.321 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.179 -2.901 -8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.304 -3.702 -9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.931 -3.881 -7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.919 -1.905 -8.344 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.771 -1.384 -7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.261 0.043 -8.902 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.070 -1.226 -9.110 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.075 -1.839 -11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.258 0.182 -9.220 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.436 0.339 -10.527 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.592 -1.631 -12.795 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.061 -0.683 -12.542 1.00 0.00 H new ATOM 494 N VAL A 37 -4.806 -1.571 -6.190 1.00 0.00 N ATOM 495 CA VAL A 37 -4.604 -0.716 -5.027 1.00 0.00 C ATOM 496 C VAL A 37 -5.260 0.646 -5.225 1.00 0.00 C ATOM 497 O VAL A 37 -4.768 1.479 -5.986 1.00 0.00 O ATOM 498 CB VAL A 37 -3.105 -0.513 -4.733 1.00 0.00 C ATOM 499 CG1 VAL A 37 -2.916 0.326 -3.478 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.403 -1.856 -4.597 1.00 0.00 C ATOM 0 H VAL A 37 -4.164 -1.391 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.068 -1.220 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.657 0.023 -5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.851 0.459 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.384 1.300 -3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.377 -0.179 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.345 -1.694 -4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.851 -2.420 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.509 -2.418 -5.525 1.00 0.00 H new ATOM 510 N SER A 38 -6.374 0.866 -4.535 1.00 0.00 N ATOM 511 CA SER A 38 -7.101 2.126 -4.637 1.00 0.00 C ATOM 512 C SER A 38 -7.107 2.860 -3.299 1.00 0.00 C ATOM 513 O SER A 38 -7.369 2.265 -2.254 1.00 0.00 O ATOM 514 CB SER A 38 -8.537 1.875 -5.100 1.00 0.00 C ATOM 515 OG SER A 38 -9.302 1.260 -4.078 1.00 0.00 O ATOM 0 H SER A 38 -6.793 0.188 -3.899 1.00 0.00 H new ATOM 0 HA SER A 38 -6.594 2.751 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.000 2.819 -5.387 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.531 1.240 -5.986 1.00 0.00 H new ATOM 0 HG SER A 38 -10.216 1.112 -4.398 1.00 0.00 H new ATOM 521 N TRP A 39 -6.815 4.155 -3.341 1.00 0.00 N ATOM 522 CA TRP A 39 -6.786 4.971 -2.133 1.00 0.00 C ATOM 523 C TRP A 39 -7.618 6.237 -2.311 1.00 0.00 C ATOM 524 O TRP A 39 -8.106 6.521 -3.404 1.00 0.00 O ATOM 525 CB TRP A 39 -5.345 5.339 -1.776 1.00 0.00 C ATOM 526 CG TRP A 39 -4.606 6.004 -2.897 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.429 7.346 -3.079 1.00 0.00 C ATOM 528 CD2 TRP A 39 -3.948 5.358 -3.992 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.700 7.573 -4.222 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.392 6.369 -4.799 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.773 4.024 -4.368 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.675 6.086 -5.959 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.061 3.744 -5.519 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.518 4.771 -6.303 1.00 0.00 C ATOM 0 H TRP A 39 -6.595 4.662 -4.198 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.217 4.387 -1.320 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.351 6.002 -0.911 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.809 4.436 -1.482 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.806 8.115 -2.422 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.432 8.489 -4.582 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.187 3.226 -3.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.258 6.876 -6.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.921 2.716 -5.819 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.965 4.520 -7.196 1.00 0.00 H new ATOM 545 N ALA A 40 -7.775 6.993 -1.230 1.00 0.00 N ATOM 546 CA ALA A 40 -8.546 8.230 -1.268 1.00 0.00 C ATOM 547 C ALA A 40 -7.667 9.435 -0.954 1.00 0.00 C ATOM 548 O ALA A 40 -6.678 9.322 -0.228 1.00 0.00 O ATOM 549 CB ALA A 40 -9.712 8.155 -0.293 1.00 0.00 C ATOM 0 H ALA A 40 -7.379 6.771 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.938 8.354 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.279 9.085 -0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.361 7.323 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.332 8.003 0.717 1.00 0.00 H new ATOM 555 N ASP A 41 -8.032 10.588 -1.504 1.00 0.00 N ATOM 556 CA ASP A 41 -7.276 11.815 -1.281 1.00 0.00 C ATOM 557 C ASP A 41 -8.005 12.732 -0.304 1.00 0.00 C ATOM 558 O ASP A 41 -9.185 13.032 -0.482 1.00 0.00 O ATOM 559 CB ASP A 41 -7.042 12.542 -2.606 1.00 0.00 C ATOM 560 CG ASP A 41 -8.323 12.737 -3.394 1.00 0.00 C ATOM 561 OD1 ASP A 41 -9.200 11.850 -3.328 1.00 0.00 O ATOM 562 OD2 ASP A 41 -8.447 13.775 -4.077 1.00 0.00 O ATOM 0 H ASP A 41 -8.847 10.699 -2.108 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.312 11.546 -0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.589 13.513 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.332 11.975 -3.208 1.00 0.00 H new ATOM 567 N ASN A 42 -7.293 13.175 0.727 1.00 0.00 N ATOM 568 CA ASN A 42 -7.873 14.058 1.733 1.00 0.00 C ATOM 569 C ASN A 42 -7.061 15.343 1.862 1.00 0.00 C ATOM 570 O ASN A 42 -7.578 16.376 2.287 1.00 0.00 O ATOM 571 CB ASN A 42 -7.943 13.347 3.086 1.00 0.00 C ATOM 572 CG ASN A 42 -9.156 12.444 3.203 1.00 0.00 C ATOM 573 OD1 ASN A 42 -9.765 12.071 2.201 1.00 0.00 O ATOM 574 ND2 ASN A 42 -9.512 12.089 4.432 1.00 0.00 N ATOM 0 H ASN A 42 -6.314 12.937 0.888 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.882 14.318 1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.038 12.756 3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.969 14.090 3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.320 11.483 4.574 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.977 12.422 5.234 1.00 0.00 H new ATOM 581 N SER A 43 -5.787 15.271 1.492 1.00 0.00 N ATOM 582 CA SER A 43 -4.902 16.427 1.570 1.00 0.00 C ATOM 583 C SER A 43 -5.040 17.301 0.327 1.00 0.00 C ATOM 584 O SER A 43 -4.050 17.795 -0.213 1.00 0.00 O ATOM 585 CB SER A 43 -3.449 15.974 1.729 1.00 0.00 C ATOM 586 OG SER A 43 -2.997 15.293 0.572 1.00 0.00 O ATOM 0 H SER A 43 -5.344 14.424 1.135 1.00 0.00 H new ATOM 0 HA SER A 43 -5.189 17.015 2.441 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.814 16.840 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.362 15.320 2.597 1.00 0.00 H new ATOM 0 HG SER A 43 -2.066 15.016 0.699 1.00 0.00 H new ATOM 592 N VAL A 44 -6.277 17.489 -0.122 1.00 0.00 N ATOM 593 CA VAL A 44 -6.548 18.304 -1.300 1.00 0.00 C ATOM 594 C VAL A 44 -7.782 19.175 -1.095 1.00 0.00 C ATOM 595 O VAL A 44 -8.914 18.691 -1.053 1.00 0.00 O ATOM 596 CB VAL A 44 -6.752 17.430 -2.552 1.00 0.00 C ATOM 597 CG1 VAL A 44 -7.775 16.338 -2.280 1.00 0.00 C ATOM 598 CG2 VAL A 44 -7.177 18.287 -3.735 1.00 0.00 C ATOM 0 H VAL A 44 -7.108 17.088 0.313 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.678 18.943 -1.449 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.804 16.953 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.906 15.731 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.426 15.708 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.728 16.792 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.317 17.654 -4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.113 18.793 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.406 19.029 -3.943 1.00 0.00 H new ATOM 608 N PRO A 45 -7.562 20.491 -0.963 1.00 0.00 N ATOM 609 CA PRO A 45 -8.645 21.458 -0.760 1.00 0.00 C ATOM 610 C PRO A 45 -9.511 21.628 -2.004 1.00 0.00 C ATOM 611 O PRO A 45 -9.015 21.979 -3.075 1.00 0.00 O ATOM 612 CB PRO A 45 -7.903 22.759 -0.443 1.00 0.00 C ATOM 613 CG PRO A 45 -6.569 22.602 -1.086 1.00 0.00 C ATOM 614 CD PRO A 45 -6.239 21.137 -1.002 1.00 0.00 C ATOM 0 HA PRO A 45 -9.333 21.141 0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.434 23.624 -0.840 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.809 22.909 0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.593 22.938 -2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.816 23.202 -0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.656 20.807 -1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.653 20.907 -0.112 1.00 0.00 H new ATOM 622 N LYS A 46 -10.807 21.377 -1.855 1.00 0.00 N ATOM 623 CA LYS A 46 -11.743 21.504 -2.965 1.00 0.00 C ATOM 624 C LYS A 46 -11.807 22.945 -3.462 1.00 0.00 C ATOM 625 O LYS A 46 -11.486 23.879 -2.728 1.00 0.00 O ATOM 626 CB LYS A 46 -13.137 21.038 -2.540 1.00 0.00 C ATOM 627 CG LYS A 46 -14.111 20.894 -3.697 1.00 0.00 C ATOM 628 CD LYS A 46 -14.874 22.184 -3.947 1.00 0.00 C ATOM 629 CE LYS A 46 -16.150 22.246 -3.121 1.00 0.00 C ATOM 630 NZ LYS A 46 -15.868 22.518 -1.685 1.00 0.00 N ATOM 0 H LYS A 46 -11.233 21.084 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.388 20.873 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.050 20.079 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.544 21.748 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.567 20.611 -4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.815 20.089 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.240 23.036 -3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.121 22.263 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.802 23.025 -3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.688 21.303 -3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.705 22.947 -1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.639 21.626 -1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.062 23.171 -1.607 1.00 0.00 H new ATOM 644 N ASN A 47 -12.225 23.118 -4.712 1.00 0.00 N ATOM 645 CA ASN A 47 -12.332 24.445 -5.305 1.00 0.00 C ATOM 646 C ASN A 47 -10.961 25.106 -5.411 1.00 0.00 C ATOM 647 O ASN A 47 -10.771 26.238 -4.967 1.00 0.00 O ATOM 648 CB ASN A 47 -13.271 25.324 -4.476 1.00 0.00 C ATOM 649 CG ASN A 47 -13.407 26.723 -5.045 1.00 0.00 C ATOM 650 OD1 ASN A 47 -12.960 27.697 -4.441 1.00 0.00 O ATOM 651 ND2 ASN A 47 -14.028 26.828 -6.214 1.00 0.00 N ATOM 0 H ASN A 47 -12.495 22.355 -5.333 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.741 24.334 -6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -14.255 24.857 -4.429 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.898 25.385 -3.454 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -14.150 27.744 -6.646 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -14.383 25.993 -6.680 1.00 0.00 H new ATOM 658 N GLN A 48 -10.009 24.390 -6.002 1.00 0.00 N ATOM 659 CA GLN A 48 -8.656 24.907 -6.166 1.00 0.00 C ATOM 660 C GLN A 48 -8.438 25.423 -7.585 1.00 0.00 C ATOM 661 O GLN A 48 -8.611 24.689 -8.558 1.00 0.00 O ATOM 662 CB GLN A 48 -7.629 23.820 -5.843 1.00 0.00 C ATOM 663 CG GLN A 48 -7.228 23.778 -4.378 1.00 0.00 C ATOM 664 CD GLN A 48 -6.223 24.855 -4.017 1.00 0.00 C ATOM 665 OE1 GLN A 48 -6.471 26.044 -4.218 1.00 0.00 O ATOM 666 NE2 GLN A 48 -5.081 24.442 -3.480 1.00 0.00 N ATOM 0 H GLN A 48 -10.150 23.451 -6.375 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.526 25.738 -5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.037 22.850 -6.127 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.738 23.981 -6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.117 23.894 -3.758 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.805 22.800 -4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.918 23.446 -3.331 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.367 25.121 -3.216 1.00 0.00 H new ATOM 675 N LYS A 49 -8.058 26.692 -7.696 1.00 0.00 N ATOM 676 CA LYS A 49 -7.816 27.307 -8.995 1.00 0.00 C ATOM 677 C LYS A 49 -6.425 26.954 -9.513 1.00 0.00 C ATOM 678 O LYS A 49 -6.283 26.332 -10.567 1.00 0.00 O ATOM 679 CB LYS A 49 -7.965 28.827 -8.898 1.00 0.00 C ATOM 680 CG LYS A 49 -8.446 29.474 -10.186 1.00 0.00 C ATOM 681 CD LYS A 49 -9.290 30.707 -9.908 1.00 0.00 C ATOM 682 CE LYS A 49 -10.766 30.358 -9.795 1.00 0.00 C ATOM 683 NZ LYS A 49 -11.355 30.000 -11.115 1.00 0.00 N ATOM 0 H LYS A 49 -7.911 27.314 -6.901 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.555 26.920 -9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.666 29.065 -8.098 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.005 29.261 -8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.588 29.750 -10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.029 28.754 -10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.955 31.178 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.147 31.435 -10.707 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.890 29.524 -9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.308 31.205 -9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.392 30.067 -11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.002 30.655 -11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.083 29.028 -11.364 1.00 0.00 H new ATOM 697 N THR A 50 -5.401 27.354 -8.766 1.00 0.00 N ATOM 698 CA THR A 50 -4.022 27.080 -9.150 1.00 0.00 C ATOM 699 C THR A 50 -3.412 25.994 -8.271 1.00 0.00 C ATOM 700 O THR A 50 -3.401 26.108 -7.045 1.00 0.00 O ATOM 701 CB THR A 50 -3.151 28.347 -9.059 1.00 0.00 C ATOM 702 OG1 THR A 50 -3.192 28.876 -7.729 1.00 0.00 O ATOM 703 CG2 THR A 50 -3.628 29.404 -10.044 1.00 0.00 C ATOM 0 H THR A 50 -5.501 27.869 -7.891 1.00 0.00 H new ATOM 0 HA THR A 50 -4.044 26.737 -10.184 1.00 0.00 H new ATOM 0 HB THR A 50 -2.126 28.074 -9.310 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.371 28.151 -7.094 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.998 30.289 -9.961 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.568 29.009 -11.058 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.660 29.671 -9.819 1.00 0.00 H new ATOM 711 N SER A 51 -2.906 24.941 -8.904 1.00 0.00 N ATOM 712 CA SER A 51 -2.296 23.833 -8.179 1.00 0.00 C ATOM 713 C SER A 51 -1.011 23.377 -8.863 1.00 0.00 C ATOM 714 O SER A 51 -0.886 23.453 -10.085 1.00 0.00 O ATOM 715 CB SER A 51 -3.276 22.662 -8.077 1.00 0.00 C ATOM 716 OG SER A 51 -3.580 22.139 -9.359 1.00 0.00 O ATOM 0 H SER A 51 -2.906 24.832 -9.918 1.00 0.00 H new ATOM 0 HA SER A 51 -2.049 24.180 -7.176 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.847 21.878 -7.453 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.193 22.992 -7.589 1.00 0.00 H new ATOM 0 HG SER A 51 -4.206 21.391 -9.267 1.00 0.00 H new ATOM 722 N GLU A 52 -0.060 22.903 -8.065 1.00 0.00 N ATOM 723 CA GLU A 52 1.217 22.435 -8.593 1.00 0.00 C ATOM 724 C GLU A 52 1.134 20.965 -8.994 1.00 0.00 C ATOM 725 O GLU A 52 0.473 20.165 -8.331 1.00 0.00 O ATOM 726 CB GLU A 52 2.325 22.630 -7.557 1.00 0.00 C ATOM 727 CG GLU A 52 3.724 22.591 -8.148 1.00 0.00 C ATOM 728 CD GLU A 52 4.094 23.879 -8.858 1.00 0.00 C ATOM 729 OE1 GLU A 52 3.568 24.943 -8.468 1.00 0.00 O ATOM 730 OE2 GLU A 52 4.908 23.824 -9.803 1.00 0.00 O ATOM 0 H GLU A 52 -0.149 22.833 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 52 1.451 23.023 -9.480 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.178 23.587 -7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.240 21.855 -6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.445 22.399 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.795 21.760 -8.850 1.00 0.00 H new ATOM 737 N VAL A 53 1.808 20.616 -10.085 1.00 0.00 N ATOM 738 CA VAL A 53 1.812 19.243 -10.576 1.00 0.00 C ATOM 739 C VAL A 53 2.318 18.280 -9.508 1.00 0.00 C ATOM 740 O VAL A 53 3.363 18.506 -8.898 1.00 0.00 O ATOM 741 CB VAL A 53 2.686 19.100 -11.836 1.00 0.00 C ATOM 742 CG1 VAL A 53 2.732 17.649 -12.292 1.00 0.00 C ATOM 743 CG2 VAL A 53 2.168 20.000 -12.948 1.00 0.00 C ATOM 0 H VAL A 53 2.359 21.266 -10.646 1.00 0.00 H new ATOM 0 HA VAL A 53 0.781 18.993 -10.828 1.00 0.00 H new ATOM 0 HB VAL A 53 3.701 19.411 -11.590 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.354 17.567 -13.183 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.152 17.031 -11.498 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.723 17.308 -12.521 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.797 19.886 -13.831 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.143 19.721 -13.194 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.192 21.038 -12.617 1.00 0.00 H new ATOM 753 N ARG A 54 1.569 17.204 -9.287 1.00 0.00 N ATOM 754 CA ARG A 54 1.941 16.205 -8.292 1.00 0.00 C ATOM 755 C ARG A 54 1.963 14.808 -8.906 1.00 0.00 C ATOM 756 O ARG A 54 1.291 14.546 -9.904 1.00 0.00 O ATOM 757 CB ARG A 54 0.967 16.242 -7.114 1.00 0.00 C ATOM 758 CG ARG A 54 -0.491 16.342 -7.531 1.00 0.00 C ATOM 759 CD ARG A 54 -1.033 14.998 -7.992 1.00 0.00 C ATOM 760 NE ARG A 54 -2.471 14.881 -7.765 1.00 0.00 N ATOM 761 CZ ARG A 54 -3.209 13.880 -8.231 1.00 0.00 C ATOM 762 NH1 ARG A 54 -2.647 12.914 -8.944 1.00 0.00 N ATOM 763 NH2 ARG A 54 -4.512 13.843 -7.982 1.00 0.00 N ATOM 0 H ARG A 54 0.701 17.002 -9.784 1.00 0.00 H new ATOM 0 HA ARG A 54 2.943 16.440 -7.933 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.103 15.343 -6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.213 17.092 -6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.086 16.707 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.591 17.071 -8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.822 14.867 -9.053 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.516 14.198 -7.462 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.934 15.608 -7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.646 12.938 -9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.216 12.146 -9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.947 14.584 -7.432 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.078 13.074 -8.340 1.00 0.00 H new ATOM 777 N LEU A 55 2.739 13.915 -8.302 1.00 0.00 N ATOM 778 CA LEU A 55 2.849 12.544 -8.789 1.00 0.00 C ATOM 779 C LEU A 55 2.665 11.546 -7.650 1.00 0.00 C ATOM 780 O LEU A 55 3.118 11.777 -6.529 1.00 0.00 O ATOM 781 CB LEU A 55 4.207 12.327 -9.458 1.00 0.00 C ATOM 782 CG LEU A 55 4.543 10.886 -9.843 1.00 0.00 C ATOM 783 CD1 LEU A 55 4.128 10.607 -11.280 1.00 0.00 C ATOM 784 CD2 LEU A 55 6.028 10.615 -9.653 1.00 0.00 C ATOM 0 H LEU A 55 3.301 14.115 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 55 2.060 12.380 -9.523 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.249 12.941 -10.357 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.983 12.693 -8.786 1.00 0.00 H new ATOM 0 HG LEU A 55 3.985 10.216 -9.188 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.375 9.577 -11.537 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.054 10.760 -11.385 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.658 11.285 -11.950 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.248 9.585 -9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.605 11.293 -10.282 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.296 10.773 -8.608 1.00 0.00 H new ATOM 796 N TYR A 56 1.998 10.435 -7.947 1.00 0.00 N ATOM 797 CA TYR A 56 1.754 9.402 -6.948 1.00 0.00 C ATOM 798 C TYR A 56 2.565 8.146 -7.254 1.00 0.00 C ATOM 799 O TYR A 56 2.529 7.625 -8.369 1.00 0.00 O ATOM 800 CB TYR A 56 0.264 9.058 -6.893 1.00 0.00 C ATOM 801 CG TYR A 56 -0.554 10.042 -6.087 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.412 11.412 -6.275 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.469 9.602 -5.138 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.157 12.314 -5.541 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.219 10.497 -4.401 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.060 11.852 -4.606 1.00 0.00 C ATOM 807 OH TYR A 56 -2.804 12.747 -3.872 1.00 0.00 O ATOM 0 H TYR A 56 1.618 10.228 -8.870 1.00 0.00 H new ATOM 0 HA TYR A 56 2.068 9.789 -5.978 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.129 9.018 -7.909 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.145 8.063 -6.465 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.293 11.777 -7.007 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.596 8.542 -4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.033 13.375 -5.698 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.926 10.138 -3.668 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.392 12.258 -3.259 1.00 0.00 H new ATOM 817 N THR A 57 3.297 7.665 -6.254 1.00 0.00 N ATOM 818 CA THR A 57 4.119 6.472 -6.414 1.00 0.00 C ATOM 819 C THR A 57 3.534 5.294 -5.641 1.00 0.00 C ATOM 820 O THR A 57 2.879 5.476 -4.615 1.00 0.00 O ATOM 821 CB THR A 57 5.563 6.716 -5.938 1.00 0.00 C ATOM 822 OG1 THR A 57 6.026 7.986 -6.411 1.00 0.00 O ATOM 823 CG2 THR A 57 6.490 5.617 -6.435 1.00 0.00 C ATOM 0 H THR A 57 3.337 8.083 -5.325 1.00 0.00 H new ATOM 0 HA THR A 57 4.130 6.237 -7.478 1.00 0.00 H new ATOM 0 HB THR A 57 5.569 6.709 -4.848 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.944 8.135 -6.103 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.504 5.811 -6.086 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.152 4.655 -6.051 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.479 5.597 -7.525 1.00 0.00 H new ATOM 831 N VAL A 58 3.776 4.086 -6.140 1.00 0.00 N ATOM 832 CA VAL A 58 3.275 2.878 -5.496 1.00 0.00 C ATOM 833 C VAL A 58 4.372 1.827 -5.370 1.00 0.00 C ATOM 834 O VAL A 58 4.995 1.443 -6.360 1.00 0.00 O ATOM 835 CB VAL A 58 2.090 2.277 -6.275 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.492 1.104 -5.514 1.00 0.00 C ATOM 837 CG2 VAL A 58 1.037 3.340 -6.546 1.00 0.00 C ATOM 0 H VAL A 58 4.316 3.918 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 58 2.937 3.167 -4.501 1.00 0.00 H new ATOM 0 HB VAL A 58 2.456 1.909 -7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.656 0.692 -6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.252 0.334 -5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.139 1.444 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.207 2.898 -7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.672 3.740 -5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.476 4.145 -7.135 1.00 0.00 H new ATOM 847 N ARG A 59 4.603 1.366 -4.145 1.00 0.00 N ATOM 848 CA ARG A 59 5.626 0.359 -3.889 1.00 0.00 C ATOM 849 C ARG A 59 5.076 -0.766 -3.017 1.00 0.00 C ATOM 850 O ARG A 59 4.251 -0.533 -2.133 1.00 0.00 O ATOM 851 CB ARG A 59 6.841 0.996 -3.211 1.00 0.00 C ATOM 852 CG ARG A 59 6.591 1.397 -1.766 1.00 0.00 C ATOM 853 CD ARG A 59 7.885 1.436 -0.968 1.00 0.00 C ATOM 854 NE ARG A 59 8.554 2.730 -1.074 1.00 0.00 N ATOM 855 CZ ARG A 59 9.408 3.039 -2.043 1.00 0.00 C ATOM 856 NH1 ARG A 59 9.695 2.152 -2.986 1.00 0.00 N ATOM 857 NH2 ARG A 59 9.976 4.238 -2.071 1.00 0.00 N ATOM 0 H ARG A 59 4.096 1.673 -3.315 1.00 0.00 H new ATOM 0 HA ARG A 59 5.932 -0.063 -4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.675 0.295 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.142 1.878 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.114 2.377 -1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.899 0.692 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.672 1.223 0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.554 0.652 -1.323 1.00 0.00 H new ATOM 0 HE ARG A 59 8.354 3.435 -0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.259 1.230 -2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.351 2.392 -3.729 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.757 4.923 -1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.632 4.474 -2.816 1.00 0.00 H new ATOM 871 N TRP A 60 5.536 -1.985 -3.273 1.00 0.00 N ATOM 872 CA TRP A 60 5.089 -3.146 -2.512 1.00 0.00 C ATOM 873 C TRP A 60 6.196 -4.191 -2.413 1.00 0.00 C ATOM 874 O TRP A 60 6.914 -4.441 -3.380 1.00 0.00 O ATOM 875 CB TRP A 60 3.848 -3.760 -3.162 1.00 0.00 C ATOM 876 CG TRP A 60 4.021 -4.044 -4.623 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.292 -5.254 -5.196 1.00 0.00 C ATOM 878 CD2 TRP A 60 3.936 -3.100 -5.695 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.382 -5.118 -6.561 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.166 -3.807 -6.892 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.687 -1.727 -5.762 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.155 -3.184 -8.138 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.676 -1.110 -6.999 1.00 0.00 C ATOM 884 CH2 TRP A 60 3.908 -1.839 -8.173 1.00 0.00 C ATOM 0 H TRP A 60 6.218 -2.195 -4.002 1.00 0.00 H new ATOM 0 HA TRP A 60 4.837 -2.814 -1.505 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.598 -4.687 -2.646 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.004 -3.083 -3.028 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.417 -6.181 -4.656 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.578 -5.871 -7.220 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.506 -1.157 -4.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.335 -3.743 -9.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.485 -0.049 -7.062 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.891 -1.329 -9.125 1.00 0.00 H new ATOM 895 N ARG A 61 6.326 -4.798 -1.238 1.00 0.00 N ATOM 896 CA ARG A 61 7.346 -5.815 -1.013 1.00 0.00 C ATOM 897 C ARG A 61 6.770 -7.004 -0.249 1.00 0.00 C ATOM 898 O ARG A 61 5.981 -6.835 0.681 1.00 0.00 O ATOM 899 CB ARG A 61 8.526 -5.223 -0.240 1.00 0.00 C ATOM 900 CG ARG A 61 9.783 -6.075 -0.299 1.00 0.00 C ATOM 901 CD ARG A 61 9.810 -7.106 0.819 1.00 0.00 C ATOM 902 NE ARG A 61 9.611 -6.495 2.131 1.00 0.00 N ATOM 903 CZ ARG A 61 10.597 -5.988 2.863 1.00 0.00 C ATOM 904 NH1 ARG A 61 11.844 -6.019 2.414 1.00 0.00 N ATOM 905 NH2 ARG A 61 10.336 -5.450 4.047 1.00 0.00 N ATOM 0 H ARG A 61 5.738 -4.603 -0.428 1.00 0.00 H new ATOM 0 HA ARG A 61 7.695 -6.164 -1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.750 -4.233 -0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.236 -5.090 0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.836 -6.581 -1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.662 -5.434 -0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.034 -7.851 0.644 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.765 -7.632 0.805 1.00 0.00 H new ATOM 0 HE ARG A 61 8.663 -6.455 2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.048 -6.433 1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.599 -5.629 2.978 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.378 -5.425 4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.093 -5.061 4.609 1.00 0.00 H new ATOM 919 N THR A 62 7.169 -8.207 -0.649 1.00 0.00 N ATOM 920 CA THR A 62 6.691 -9.424 -0.005 1.00 0.00 C ATOM 921 C THR A 62 6.516 -9.219 1.496 1.00 0.00 C ATOM 922 O THR A 62 7.362 -8.612 2.152 1.00 0.00 O ATOM 923 CB THR A 62 7.656 -10.601 -0.241 1.00 0.00 C ATOM 924 OG1 THR A 62 9.011 -10.156 -0.116 1.00 0.00 O ATOM 925 CG2 THR A 62 7.441 -11.208 -1.620 1.00 0.00 C ATOM 0 H THR A 62 7.822 -8.365 -1.416 1.00 0.00 H new ATOM 0 HA THR A 62 5.725 -9.660 -0.452 1.00 0.00 H new ATOM 0 HB THR A 62 7.454 -11.364 0.510 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.617 -10.864 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.133 -12.037 -1.764 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.417 -11.572 -1.702 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.619 -10.450 -2.383 1.00 0.00 H new ATOM 933 N SER A 63 5.413 -9.730 2.033 1.00 0.00 N ATOM 934 CA SER A 63 5.125 -9.600 3.457 1.00 0.00 C ATOM 935 C SER A 63 5.923 -10.617 4.267 1.00 0.00 C ATOM 936 O SER A 63 5.913 -11.811 3.969 1.00 0.00 O ATOM 937 CB SER A 63 3.629 -9.786 3.716 1.00 0.00 C ATOM 938 OG SER A 63 2.889 -8.667 3.259 1.00 0.00 O ATOM 0 H SER A 63 4.704 -10.238 1.504 1.00 0.00 H new ATOM 0 HA SER A 63 5.419 -8.599 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.279 -10.687 3.213 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.456 -9.929 4.783 1.00 0.00 H new ATOM 0 HG SER A 63 2.576 -8.146 4.028 1.00 0.00 H new ATOM 944 N PHE A 64 6.615 -10.134 5.294 1.00 0.00 N ATOM 945 CA PHE A 64 7.420 -10.999 6.148 1.00 0.00 C ATOM 946 C PHE A 64 8.427 -11.794 5.322 1.00 0.00 C ATOM 947 O PHE A 64 8.576 -13.003 5.501 1.00 0.00 O ATOM 948 CB PHE A 64 6.520 -11.955 6.935 1.00 0.00 C ATOM 949 CG PHE A 64 5.348 -11.277 7.584 1.00 0.00 C ATOM 950 CD1 PHE A 64 4.161 -11.102 6.892 1.00 0.00 C ATOM 951 CD2 PHE A 64 5.433 -10.814 8.888 1.00 0.00 C ATOM 952 CE1 PHE A 64 3.080 -10.479 7.487 1.00 0.00 C ATOM 953 CE2 PHE A 64 4.356 -10.191 9.488 1.00 0.00 C ATOM 954 CZ PHE A 64 3.178 -10.022 8.786 1.00 0.00 C ATOM 0 H PHE A 64 6.634 -9.148 5.555 1.00 0.00 H new ATOM 0 HA PHE A 64 7.968 -10.368 6.848 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.154 -12.732 6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.114 -12.451 7.703 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.079 -11.457 5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.352 -10.942 9.441 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.160 -10.350 6.936 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.435 -9.836 10.505 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.335 -9.533 9.253 1.00 0.00 H new ATOM 964 N SER A 65 9.115 -11.106 4.417 1.00 0.00 N ATOM 965 CA SER A 65 10.105 -11.747 3.560 1.00 0.00 C ATOM 966 C SER A 65 11.518 -11.492 4.076 1.00 0.00 C ATOM 967 O SER A 65 11.705 -10.881 5.128 1.00 0.00 O ATOM 968 CB SER A 65 9.975 -11.236 2.124 1.00 0.00 C ATOM 969 OG SER A 65 10.237 -9.845 2.052 1.00 0.00 O ATOM 0 H SER A 65 9.005 -10.104 4.258 1.00 0.00 H new ATOM 0 HA SER A 65 9.920 -12.821 3.574 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.670 -11.774 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.971 -11.440 1.752 1.00 0.00 H new ATOM 0 HG SER A 65 10.000 -9.513 1.161 1.00 0.00 H new ATOM 975 N ALA A 66 12.509 -11.966 3.328 1.00 0.00 N ATOM 976 CA ALA A 66 13.905 -11.788 3.708 1.00 0.00 C ATOM 977 C ALA A 66 14.789 -11.604 2.479 1.00 0.00 C ATOM 978 O ALA A 66 14.736 -12.397 1.540 1.00 0.00 O ATOM 979 CB ALA A 66 14.383 -12.976 4.531 1.00 0.00 C ATOM 0 H ALA A 66 12.371 -12.476 2.456 1.00 0.00 H new ATOM 0 HA ALA A 66 13.979 -10.886 4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.427 -12.830 4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.777 -13.061 5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.288 -13.888 3.942 1.00 0.00 H new ATOM 985 N SER A 67 15.601 -10.551 2.493 1.00 0.00 N ATOM 986 CA SER A 67 16.493 -10.260 1.377 1.00 0.00 C ATOM 987 C SER A 67 15.699 -9.981 0.105 1.00 0.00 C ATOM 988 O SER A 67 16.142 -10.300 -0.999 1.00 0.00 O ATOM 989 CB SER A 67 17.454 -11.428 1.147 1.00 0.00 C ATOM 990 OG SER A 67 18.502 -11.422 2.101 1.00 0.00 O ATOM 0 H SER A 67 15.659 -9.886 3.264 1.00 0.00 H new ATOM 0 HA SER A 67 17.069 -9.369 1.627 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.908 -12.369 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.872 -11.366 0.142 1.00 0.00 H new ATOM 0 HG SER A 67 19.101 -12.179 1.933 1.00 0.00 H new ATOM 996 N ALA A 68 14.523 -9.385 0.267 1.00 0.00 N ATOM 997 CA ALA A 68 13.667 -9.061 -0.867 1.00 0.00 C ATOM 998 C ALA A 68 13.897 -7.629 -1.337 1.00 0.00 C ATOM 999 O ALA A 68 14.631 -6.868 -0.707 1.00 0.00 O ATOM 1000 CB ALA A 68 12.205 -9.271 -0.502 1.00 0.00 C ATOM 0 H ALA A 68 14.141 -9.116 1.174 1.00 0.00 H new ATOM 0 HA ALA A 68 13.924 -9.730 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.577 -9.025 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.046 -10.312 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.943 -8.626 0.337 1.00 0.00 H new ATOM 1006 N LYS A 69 13.265 -7.267 -2.449 1.00 0.00 N ATOM 1007 CA LYS A 69 13.400 -5.926 -3.004 1.00 0.00 C ATOM 1008 C LYS A 69 12.053 -5.211 -3.033 1.00 0.00 C ATOM 1009 O LYS A 69 11.000 -5.850 -3.006 1.00 0.00 O ATOM 1010 CB LYS A 69 13.984 -5.993 -4.417 1.00 0.00 C ATOM 1011 CG LYS A 69 13.165 -6.840 -5.375 1.00 0.00 C ATOM 1012 CD LYS A 69 12.113 -6.012 -6.092 1.00 0.00 C ATOM 1013 CE LYS A 69 10.952 -6.873 -6.566 1.00 0.00 C ATOM 1014 NZ LYS A 69 10.061 -6.136 -7.504 1.00 0.00 N ATOM 0 H LYS A 69 12.654 -7.885 -2.983 1.00 0.00 H new ATOM 0 HA LYS A 69 14.078 -5.361 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.063 -4.982 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.996 -6.395 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.826 -7.304 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.681 -7.648 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.742 -5.236 -5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.565 -5.508 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.339 -7.765 -7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.374 -7.209 -5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.117 -6.573 -7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.984 -5.144 -7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.458 -6.176 -8.464 1.00 0.00 H new ATOM 1028 N TYR A 70 12.093 -3.885 -3.089 1.00 0.00 N ATOM 1029 CA TYR A 70 10.875 -3.084 -3.121 1.00 0.00 C ATOM 1030 C TYR A 70 10.623 -2.531 -4.520 1.00 0.00 C ATOM 1031 O TYR A 70 11.502 -1.920 -5.128 1.00 0.00 O ATOM 1032 CB TYR A 70 10.969 -1.935 -2.116 1.00 0.00 C ATOM 1033 CG TYR A 70 10.411 -2.276 -0.752 1.00 0.00 C ATOM 1034 CD1 TYR A 70 11.179 -2.959 0.183 1.00 0.00 C ATOM 1035 CD2 TYR A 70 9.117 -1.915 -0.399 1.00 0.00 C ATOM 1036 CE1 TYR A 70 10.673 -3.274 1.429 1.00 0.00 C ATOM 1037 CE2 TYR A 70 8.603 -2.224 0.846 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.385 -2.904 1.756 1.00 0.00 C ATOM 1039 OH TYR A 70 8.878 -3.214 2.997 1.00 0.00 O ATOM 0 H TYR A 70 12.956 -3.342 -3.113 1.00 0.00 H new ATOM 0 HA TYR A 70 10.039 -3.729 -2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.013 -1.642 -2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.434 -1.072 -2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.189 -3.248 -0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.502 -1.384 -1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.283 -3.807 2.143 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.595 -1.935 1.105 1.00 0.00 H new ATOM 0 HH TYR A 70 7.959 -2.882 3.067 1.00 0.00 H new ATOM 1049 N LYS A 71 9.414 -2.750 -5.027 1.00 0.00 N ATOM 1050 CA LYS A 71 9.042 -2.273 -6.354 1.00 0.00 C ATOM 1051 C LYS A 71 8.566 -0.825 -6.298 1.00 0.00 C ATOM 1052 O LYS A 71 8.356 -0.272 -5.218 1.00 0.00 O ATOM 1053 CB LYS A 71 7.945 -3.159 -6.948 1.00 0.00 C ATOM 1054 CG LYS A 71 7.864 -3.094 -8.463 1.00 0.00 C ATOM 1055 CD LYS A 71 7.366 -4.403 -9.052 1.00 0.00 C ATOM 1056 CE LYS A 71 7.780 -4.553 -10.508 1.00 0.00 C ATOM 1057 NZ LYS A 71 9.171 -5.070 -10.638 1.00 0.00 N ATOM 0 H LYS A 71 8.675 -3.255 -4.538 1.00 0.00 H new ATOM 0 HA LYS A 71 9.925 -2.322 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.120 -4.192 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.984 -2.863 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.197 -2.284 -8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.848 -2.861 -8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.761 -5.237 -8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.280 -4.448 -8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.092 -5.231 -11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.703 -3.588 -11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.416 -5.158 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.831 -4.411 -10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.239 -6.002 -10.182 1.00 0.00 H new ATOM 1071 N SER A 72 8.397 -0.217 -7.468 1.00 0.00 N ATOM 1072 CA SER A 72 7.948 1.168 -7.551 1.00 0.00 C ATOM 1073 C SER A 72 7.402 1.479 -8.942 1.00 0.00 C ATOM 1074 O SER A 72 7.963 1.052 -9.950 1.00 0.00 O ATOM 1075 CB SER A 72 9.098 2.121 -7.218 1.00 0.00 C ATOM 1076 OG SER A 72 10.093 2.091 -8.227 1.00 0.00 O ATOM 0 H SER A 72 8.564 -0.661 -8.371 1.00 0.00 H new ATOM 0 HA SER A 72 7.148 1.309 -6.825 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.714 3.136 -7.111 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.538 1.844 -6.260 1.00 0.00 H new ATOM 0 HG SER A 72 10.816 2.709 -7.992 1.00 0.00 H new ATOM 1082 N GLU A 73 6.302 2.225 -8.985 1.00 0.00 N ATOM 1083 CA GLU A 73 5.679 2.593 -10.251 1.00 0.00 C ATOM 1084 C GLU A 73 5.073 3.991 -10.174 1.00 0.00 C ATOM 1085 O GLU A 73 4.668 4.445 -9.104 1.00 0.00 O ATOM 1086 CB GLU A 73 4.599 1.577 -10.627 1.00 0.00 C ATOM 1087 CG GLU A 73 5.144 0.329 -11.301 1.00 0.00 C ATOM 1088 CD GLU A 73 6.348 0.618 -12.177 1.00 0.00 C ATOM 1089 OE1 GLU A 73 6.268 1.550 -13.005 1.00 0.00 O ATOM 1090 OE2 GLU A 73 7.368 -0.087 -12.036 1.00 0.00 O ATOM 0 H GLU A 73 5.825 2.586 -8.159 1.00 0.00 H new ATOM 0 HA GLU A 73 6.452 2.593 -11.020 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.057 1.286 -9.727 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.879 2.054 -11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.420 -0.400 -10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.359 -0.125 -11.906 1.00 0.00 H new ATOM 1097 N ASP A 74 5.016 4.668 -11.315 1.00 0.00 N ATOM 1098 CA ASP A 74 4.459 6.015 -11.378 1.00 0.00 C ATOM 1099 C ASP A 74 3.061 5.997 -11.987 1.00 0.00 C ATOM 1100 O ASP A 74 2.851 5.457 -13.074 1.00 0.00 O ATOM 1101 CB ASP A 74 5.373 6.930 -12.195 1.00 0.00 C ATOM 1102 CG ASP A 74 5.090 6.852 -13.683 1.00 0.00 C ATOM 1103 OD1 ASP A 74 5.003 5.724 -14.212 1.00 0.00 O ATOM 1104 OD2 ASP A 74 4.955 7.919 -14.317 1.00 0.00 O ATOM 0 H ASP A 74 5.348 4.307 -12.209 1.00 0.00 H new ATOM 0 HA ASP A 74 4.388 6.400 -10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.248 7.959 -11.858 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.413 6.659 -12.011 1.00 0.00 H new ATOM 1109 N THR A 75 2.105 6.590 -11.279 1.00 0.00 N ATOM 1110 CA THR A 75 0.726 6.641 -11.748 1.00 0.00 C ATOM 1111 C THR A 75 0.061 7.956 -11.359 1.00 0.00 C ATOM 1112 O THR A 75 0.123 8.378 -10.203 1.00 0.00 O ATOM 1113 CB THR A 75 -0.103 5.472 -11.182 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.468 5.594 -11.596 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.029 5.442 -9.662 1.00 0.00 C ATOM 0 H THR A 75 2.261 7.042 -10.378 1.00 0.00 H new ATOM 0 HA THR A 75 0.758 6.561 -12.835 1.00 0.00 H new ATOM 0 HB THR A 75 0.311 4.541 -11.568 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.988 4.846 -11.234 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.622 4.608 -9.285 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.008 5.320 -9.351 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.421 6.377 -9.260 1.00 0.00 H new ATOM 1123 N THR A 76 -0.578 8.601 -12.330 1.00 0.00 N ATOM 1124 CA THR A 76 -1.255 9.869 -12.089 1.00 0.00 C ATOM 1125 C THR A 76 -2.711 9.649 -11.695 1.00 0.00 C ATOM 1126 O THR A 76 -3.570 10.489 -11.961 1.00 0.00 O ATOM 1127 CB THR A 76 -1.204 10.778 -13.331 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.630 10.051 -14.489 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.203 11.314 -13.552 1.00 0.00 C ATOM 0 H THR A 76 -0.641 8.266 -13.291 1.00 0.00 H new ATOM 0 HA THR A 76 -0.729 10.357 -11.268 1.00 0.00 H new ATOM 0 HB THR A 76 -1.875 11.621 -13.165 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.596 10.637 -15.274 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.214 11.953 -14.435 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.513 11.892 -12.681 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.891 10.481 -13.698 1.00 0.00 H new ATOM 1137 N SER A 77 -2.982 8.514 -11.057 1.00 0.00 N ATOM 1138 CA SER A 77 -4.335 8.182 -10.628 1.00 0.00 C ATOM 1139 C SER A 77 -4.334 7.629 -9.207 1.00 0.00 C ATOM 1140 O SER A 77 -3.290 7.247 -8.677 1.00 0.00 O ATOM 1141 CB SER A 77 -4.960 7.164 -11.584 1.00 0.00 C ATOM 1142 OG SER A 77 -5.283 7.762 -12.827 1.00 0.00 O ATOM 0 H SER A 77 -2.282 7.809 -10.826 1.00 0.00 H new ATOM 0 HA SER A 77 -4.929 9.096 -10.643 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.267 6.338 -11.744 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.860 6.743 -11.135 1.00 0.00 H new ATOM 0 HG SER A 77 -5.679 7.090 -13.420 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.512 7.589 -8.594 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.650 7.082 -7.233 1.00 0.00 C ATOM 1150 C LEU A 78 -5.929 5.582 -7.235 1.00 0.00 C ATOM 1151 O LEU A 78 -6.599 5.064 -6.342 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.773 7.821 -6.504 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.653 9.344 -6.453 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -7.999 9.976 -6.133 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.608 9.762 -5.428 1.00 0.00 C ATOM 0 H LEU A 78 -6.386 7.902 -9.018 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.710 7.256 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.718 7.567 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.823 7.446 -5.482 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.334 9.697 -7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.893 11.060 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.721 9.704 -6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.349 9.617 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.536 10.849 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.898 9.397 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.641 9.340 -5.701 1.00 0.00 H new ATOM 1167 N SER A 79 -5.411 4.891 -8.245 1.00 0.00 N ATOM 1168 CA SER A 79 -5.606 3.451 -8.365 1.00 0.00 C ATOM 1169 C SER A 79 -4.579 2.841 -9.314 1.00 0.00 C ATOM 1170 O SER A 79 -4.379 3.328 -10.427 1.00 0.00 O ATOM 1171 CB SER A 79 -7.020 3.146 -8.862 1.00 0.00 C ATOM 1172 OG SER A 79 -7.199 3.592 -10.195 1.00 0.00 O ATOM 0 H SER A 79 -4.853 5.305 -8.992 1.00 0.00 H new ATOM 0 HA SER A 79 -5.472 3.008 -7.378 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.205 2.073 -8.806 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.749 3.630 -8.212 1.00 0.00 H new ATOM 0 HG SER A 79 -6.346 3.542 -10.674 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.930 1.772 -8.865 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.921 1.095 -9.672 1.00 0.00 C ATOM 1180 C TYR A 80 -3.125 -0.416 -9.644 1.00 0.00 C ATOM 1181 O TYR A 80 -3.461 -0.992 -8.608 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.519 1.441 -9.168 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.426 0.609 -9.800 1.00 0.00 C ATOM 1184 CD1 TYR A 80 -0.030 -0.598 -9.236 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.210 1.029 -10.962 1.00 0.00 C ATOM 1186 CE1 TYR A 80 0.968 -1.361 -9.810 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.208 0.271 -11.544 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.584 -0.922 -10.963 1.00 0.00 C ATOM 1189 OH TYR A 80 2.578 -1.680 -11.538 1.00 0.00 O ATOM 0 H TYR A 80 -4.085 1.356 -7.947 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.025 1.438 -10.701 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.321 2.495 -9.364 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.487 1.307 -8.087 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.511 -0.945 -8.333 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.081 1.964 -11.418 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.264 -2.296 -9.358 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.691 0.611 -12.448 1.00 0.00 H new ATOM 0 HH TYR A 80 2.579 -1.537 -12.508 1.00 0.00 H new ATOM 1199 N THR A 81 -2.919 -1.056 -10.792 1.00 0.00 N ATOM 1200 CA THR A 81 -3.080 -2.500 -10.901 1.00 0.00 C ATOM 1201 C THR A 81 -1.730 -3.208 -10.875 1.00 0.00 C ATOM 1202 O THR A 81 -0.961 -3.131 -11.832 1.00 0.00 O ATOM 1203 CB THR A 81 -3.825 -2.886 -12.194 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.990 -2.069 -12.350 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.227 -4.353 -12.169 1.00 0.00 C ATOM 0 H THR A 81 -2.640 -0.596 -11.659 1.00 0.00 H new ATOM 0 HA THR A 81 -3.670 -2.818 -10.041 1.00 0.00 H new ATOM 0 HB THR A 81 -3.153 -2.724 -13.037 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.457 -2.319 -13.175 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.751 -4.602 -13.092 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.335 -4.973 -12.079 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.883 -4.536 -11.318 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.450 -3.896 -9.774 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.193 -4.620 -9.625 1.00 0.00 C ATOM 1215 C ALA A 82 -0.249 -5.968 -10.335 1.00 0.00 C ATOM 1216 O ALA A 82 -0.857 -6.918 -9.841 1.00 0.00 O ATOM 1217 CB ALA A 82 0.135 -4.810 -8.152 1.00 0.00 C ATOM 0 H ALA A 82 -2.076 -3.968 -8.972 1.00 0.00 H new ATOM 0 HA ALA A 82 0.596 -4.028 -10.088 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.076 -5.352 -8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.226 -3.836 -7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.662 -5.378 -7.672 1.00 0.00 H new ATOM 1223 N THR A 83 0.390 -6.046 -11.499 1.00 0.00 N ATOM 1224 CA THR A 83 0.411 -7.278 -12.278 1.00 0.00 C ATOM 1225 C THR A 83 1.758 -7.982 -12.155 1.00 0.00 C ATOM 1226 O THR A 83 2.790 -7.341 -11.967 1.00 0.00 O ATOM 1227 CB THR A 83 0.121 -7.006 -13.766 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.099 -6.108 -14.300 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.269 -6.415 -13.947 1.00 0.00 C ATOM 0 H THR A 83 0.900 -5.270 -11.922 1.00 0.00 H new ATOM 0 HA THR A 83 -0.371 -7.921 -11.875 1.00 0.00 H new ATOM 0 HB THR A 83 0.169 -7.954 -14.301 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.908 -5.942 -15.247 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.451 -6.231 -15.006 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.014 -7.114 -13.566 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.339 -5.476 -13.399 1.00 0.00 H new ATOM 1237 N GLY A 84 1.739 -9.308 -12.264 1.00 0.00 N ATOM 1238 CA GLY A 84 2.965 -10.077 -12.163 1.00 0.00 C ATOM 1239 C GLY A 84 3.377 -10.325 -10.725 1.00 0.00 C ATOM 1240 O GLY A 84 4.530 -10.099 -10.354 1.00 0.00 O ATOM 0 H GLY A 84 0.897 -9.862 -12.420 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.834 -11.033 -12.670 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.765 -9.549 -12.681 1.00 0.00 H new ATOM 1244 N LEU A 85 2.434 -10.790 -9.913 1.00 0.00 N ATOM 1245 CA LEU A 85 2.705 -11.067 -8.507 1.00 0.00 C ATOM 1246 C LEU A 85 2.744 -12.570 -8.246 1.00 0.00 C ATOM 1247 O LEU A 85 2.504 -13.374 -9.147 1.00 0.00 O ATOM 1248 CB LEU A 85 1.642 -10.412 -7.623 1.00 0.00 C ATOM 1249 CG LEU A 85 1.284 -8.965 -7.965 1.00 0.00 C ATOM 1250 CD1 LEU A 85 -0.065 -8.594 -7.369 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.367 -8.017 -7.470 1.00 0.00 C ATOM 0 H LEU A 85 1.476 -10.983 -10.204 1.00 0.00 H new ATOM 0 HA LEU A 85 3.681 -10.648 -8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.734 -11.012 -7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.986 -10.446 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 85 1.217 -8.874 -9.049 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.303 -7.561 -7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.834 -9.253 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.026 -8.702 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.096 -6.992 -7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.466 -8.111 -6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.315 -8.269 -7.945 1.00 0.00 H new ATOM 1263 N LYS A 86 3.045 -12.942 -7.007 1.00 0.00 N ATOM 1264 CA LYS A 86 3.112 -14.348 -6.624 1.00 0.00 C ATOM 1265 C LYS A 86 1.769 -14.829 -6.086 1.00 0.00 C ATOM 1266 O LYS A 86 1.137 -14.178 -5.254 1.00 0.00 O ATOM 1267 CB LYS A 86 4.202 -14.560 -5.571 1.00 0.00 C ATOM 1268 CG LYS A 86 4.575 -16.018 -5.367 1.00 0.00 C ATOM 1269 CD LYS A 86 5.488 -16.197 -4.165 1.00 0.00 C ATOM 1270 CE LYS A 86 6.924 -15.823 -4.496 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.685 -16.979 -5.048 1.00 0.00 N ATOM 0 H LYS A 86 3.247 -12.289 -6.250 1.00 0.00 H new ATOM 0 HA LYS A 86 3.357 -14.930 -7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.092 -14.004 -5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.864 -14.144 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.670 -16.610 -5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.071 -16.396 -6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.131 -15.580 -3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.449 -17.233 -3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.929 -15.006 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.420 -15.457 -3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.659 -16.684 -5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.702 -17.749 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.226 -17.312 -5.920 1.00 0.00 H new ATOM 1285 N PRO A 87 1.322 -15.998 -6.568 1.00 0.00 N ATOM 1286 CA PRO A 87 0.050 -16.594 -6.147 1.00 0.00 C ATOM 1287 C PRO A 87 0.093 -17.093 -4.707 1.00 0.00 C ATOM 1288 O PRO A 87 1.135 -17.530 -4.222 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.130 -17.767 -7.114 1.00 0.00 C ATOM 1290 CG PRO A 87 1.253 -18.120 -7.543 1.00 0.00 C ATOM 1291 CD PRO A 87 2.023 -16.828 -7.562 1.00 0.00 C ATOM 0 HA PRO A 87 -0.767 -15.873 -6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.621 -18.610 -6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.749 -17.486 -7.966 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.705 -18.834 -6.854 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.249 -18.586 -8.528 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.068 -16.979 -7.293 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.011 -16.368 -8.550 1.00 0.00 H new ATOM 1299 N ASN A 88 -1.048 -17.025 -4.028 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.141 -17.471 -2.642 1.00 0.00 C ATOM 1301 C ASN A 88 -0.086 -16.785 -1.779 1.00 0.00 C ATOM 1302 O ASN A 88 0.359 -17.333 -0.770 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.974 -18.989 -2.561 1.00 0.00 C ATOM 1304 CG ASN A 88 -1.747 -19.594 -1.405 1.00 0.00 C ATOM 1305 OD1 ASN A 88 -3.062 -19.698 -1.562 1.00 0.00 O flip ATOM 1306 ND2 ASN A 88 -1.169 -19.963 -0.382 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.921 -16.666 -4.415 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.127 -17.200 -2.264 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.310 -19.439 -3.495 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.083 -19.230 -2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.157 -19.864 -0.304 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.703 -20.367 0.388 1.00 0.00 H new ATOM 1313 N THR A 89 0.311 -15.582 -2.183 1.00 0.00 N ATOM 1314 CA THR A 89 1.314 -14.822 -1.448 1.00 0.00 C ATOM 1315 C THR A 89 0.863 -13.382 -1.232 1.00 0.00 C ATOM 1316 O THR A 89 0.406 -12.719 -2.163 1.00 0.00 O ATOM 1317 CB THR A 89 2.668 -14.819 -2.183 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.986 -16.142 -2.628 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.775 -14.303 -1.277 1.00 0.00 C ATOM 0 H THR A 89 -0.047 -15.113 -3.015 1.00 0.00 H new ATOM 0 HA THR A 89 1.435 -15.311 -0.482 1.00 0.00 H new ATOM 0 HB THR A 89 2.588 -14.156 -3.044 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.327 -16.430 -3.294 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.721 -14.310 -1.818 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.544 -13.285 -0.964 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.854 -14.944 -0.399 1.00 0.00 H new ATOM 1327 N MET A 90 0.995 -12.904 0.001 1.00 0.00 N ATOM 1328 CA MET A 90 0.602 -11.540 0.337 1.00 0.00 C ATOM 1329 C MET A 90 1.828 -10.656 0.543 1.00 0.00 C ATOM 1330 O MET A 90 2.888 -11.134 0.947 1.00 0.00 O ATOM 1331 CB MET A 90 -0.265 -11.533 1.598 1.00 0.00 C ATOM 1332 CG MET A 90 -0.626 -10.137 2.079 1.00 0.00 C ATOM 1333 SD MET A 90 -1.672 -10.157 3.548 1.00 0.00 S ATOM 1334 CE MET A 90 -0.534 -10.817 4.764 1.00 0.00 C ATOM 0 H MET A 90 1.371 -13.440 0.783 1.00 0.00 H new ATOM 0 HA MET A 90 0.023 -11.139 -0.495 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.182 -12.089 1.402 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.262 -12.058 2.395 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.288 -9.584 2.296 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.139 -9.603 1.279 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.922 -10.630 5.765 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.423 -11.891 4.613 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.436 -10.333 4.655 1.00 0.00 H new ATOM 1344 N TYR A 91 1.675 -9.367 0.264 1.00 0.00 N ATOM 1345 CA TYR A 91 2.771 -8.417 0.416 1.00 0.00 C ATOM 1346 C TYR A 91 2.277 -7.109 1.027 1.00 0.00 C ATOM 1347 O TYR A 91 1.117 -6.994 1.419 1.00 0.00 O ATOM 1348 CB TYR A 91 3.429 -8.144 -0.937 1.00 0.00 C ATOM 1349 CG TYR A 91 3.080 -9.164 -1.997 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.507 -10.482 -1.888 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.324 -8.811 -3.108 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.191 -11.418 -2.854 1.00 0.00 C ATOM 1353 CE2 TYR A 91 2.002 -9.740 -4.078 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.438 -11.042 -3.947 1.00 0.00 C ATOM 1355 OH TYR A 91 2.120 -11.970 -4.912 1.00 0.00 O ATOM 0 H TYR A 91 0.803 -8.955 -0.069 1.00 0.00 H new ATOM 0 HA TYR A 91 3.508 -8.856 1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.130 -7.155 -1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.511 -8.123 -0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.096 -10.780 -1.033 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.982 -7.792 -3.215 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.532 -12.438 -2.754 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.412 -9.449 -4.934 1.00 0.00 H new ATOM 0 HH TYR A 91 1.652 -12.725 -4.498 1.00 0.00 H new ATOM 1365 N GLU A 92 3.169 -6.125 1.103 1.00 0.00 N ATOM 1366 CA GLU A 92 2.824 -4.825 1.666 1.00 0.00 C ATOM 1367 C GLU A 92 2.544 -3.811 0.561 1.00 0.00 C ATOM 1368 O GLU A 92 3.232 -3.782 -0.460 1.00 0.00 O ATOM 1369 CB GLU A 92 3.954 -4.318 2.565 1.00 0.00 C ATOM 1370 CG GLU A 92 3.897 -4.865 3.981 1.00 0.00 C ATOM 1371 CD GLU A 92 4.895 -4.194 4.906 1.00 0.00 C ATOM 1372 OE1 GLU A 92 4.866 -2.950 5.007 1.00 0.00 O ATOM 1373 OE2 GLU A 92 5.703 -4.914 5.528 1.00 0.00 O ATOM 0 H GLU A 92 4.134 -6.204 0.782 1.00 0.00 H new ATOM 0 HA GLU A 92 1.920 -4.944 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.911 -4.588 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.916 -3.229 2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.891 -4.730 4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.090 -5.938 3.960 1.00 0.00 H new ATOM 1380 N PHE A 93 1.529 -2.980 0.772 1.00 0.00 N ATOM 1381 CA PHE A 93 1.155 -1.964 -0.206 1.00 0.00 C ATOM 1382 C PHE A 93 1.018 -0.596 0.456 1.00 0.00 C ATOM 1383 O PHE A 93 0.552 -0.487 1.590 1.00 0.00 O ATOM 1384 CB PHE A 93 -0.158 -2.345 -0.892 1.00 0.00 C ATOM 1385 CG PHE A 93 -0.048 -3.567 -1.760 1.00 0.00 C ATOM 1386 CD1 PHE A 93 -0.018 -4.832 -1.197 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.024 -3.449 -3.139 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.083 -5.957 -1.993 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.125 -4.570 -3.940 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.154 -5.826 -3.366 1.00 0.00 C ATOM 0 H PHE A 93 0.950 -2.990 1.612 1.00 0.00 H new ATOM 0 HA PHE A 93 1.945 -1.908 -0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.920 -2.517 -0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.498 -1.507 -1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.074 -4.940 -0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.001 -2.469 -3.593 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.106 -6.938 -1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.181 -4.464 -5.013 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.232 -6.704 -3.990 1.00 0.00 H new ATOM 1400 N SER A 94 1.428 0.445 -0.261 1.00 0.00 N ATOM 1401 CA SER A 94 1.355 1.806 0.257 1.00 0.00 C ATOM 1402 C SER A 94 1.258 2.817 -0.882 1.00 0.00 C ATOM 1403 O SER A 94 1.224 2.446 -2.055 1.00 0.00 O ATOM 1404 CB SER A 94 2.580 2.111 1.122 1.00 0.00 C ATOM 1405 OG SER A 94 2.279 3.085 2.107 1.00 0.00 O ATOM 0 H SER A 94 1.814 0.372 -1.202 1.00 0.00 H new ATOM 0 HA SER A 94 0.457 1.888 0.869 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.926 1.196 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.395 2.467 0.492 1.00 0.00 H new ATOM 0 HG SER A 94 2.048 2.639 2.948 1.00 0.00 H new ATOM 1411 N VAL A 95 1.214 4.097 -0.527 1.00 0.00 N ATOM 1412 CA VAL A 95 1.121 5.162 -1.518 1.00 0.00 C ATOM 1413 C VAL A 95 1.762 6.447 -1.004 1.00 0.00 C ATOM 1414 O VAL A 95 1.782 6.705 0.199 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.343 5.449 -1.899 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.420 6.586 -2.907 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.006 4.194 -2.447 1.00 0.00 C ATOM 0 H VAL A 95 1.241 4.422 0.440 1.00 0.00 H new ATOM 0 HA VAL A 95 1.658 4.819 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.881 5.755 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.462 6.774 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.015 7.487 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.132 6.313 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.040 4.415 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.469 3.856 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.984 3.411 -1.689 1.00 0.00 H new ATOM 1427 N MET A 96 2.284 7.251 -1.925 1.00 0.00 N ATOM 1428 CA MET A 96 2.924 8.510 -1.565 1.00 0.00 C ATOM 1429 C MET A 96 2.781 9.533 -2.688 1.00 0.00 C ATOM 1430 O MET A 96 2.301 9.213 -3.776 1.00 0.00 O ATOM 1431 CB MET A 96 4.404 8.284 -1.252 1.00 0.00 C ATOM 1432 CG MET A 96 5.161 7.580 -2.366 1.00 0.00 C ATOM 1433 SD MET A 96 6.942 7.845 -2.273 1.00 0.00 S ATOM 1434 CE MET A 96 7.045 9.590 -2.661 1.00 0.00 C ATOM 0 H MET A 96 2.276 7.053 -2.925 1.00 0.00 H new ATOM 0 HA MET A 96 2.428 8.899 -0.676 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.876 9.246 -1.055 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.488 7.695 -0.339 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.954 6.511 -2.321 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.795 7.935 -3.329 1.00 0.00 H new ATOM 0 HE1 MET A 96 8.029 9.813 -3.074 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.278 9.846 -3.392 1.00 0.00 H new ATOM 0 HE3 MET A 96 6.891 10.174 -1.754 1.00 0.00 H new ATOM 1444 N VAL A 97 3.201 10.765 -2.418 1.00 0.00 N ATOM 1445 CA VAL A 97 3.120 11.834 -3.406 1.00 0.00 C ATOM 1446 C VAL A 97 4.365 12.714 -3.367 1.00 0.00 C ATOM 1447 O VAL A 97 4.816 13.124 -2.297 1.00 0.00 O ATOM 1448 CB VAL A 97 1.876 12.714 -3.180 1.00 0.00 C ATOM 1449 CG1 VAL A 97 1.895 13.318 -1.785 1.00 0.00 C ATOM 1450 CG2 VAL A 97 1.794 13.802 -4.240 1.00 0.00 C ATOM 0 H VAL A 97 3.601 11.047 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 97 3.046 11.357 -4.383 1.00 0.00 H new ATOM 0 HB VAL A 97 0.989 12.087 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.008 13.936 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.902 12.520 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.788 13.932 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.909 14.414 -4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.685 14.428 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.729 13.344 -5.227 1.00 0.00 H new ATOM 1460 N THR A 98 4.917 13.002 -4.541 1.00 0.00 N ATOM 1461 CA THR A 98 6.110 13.832 -4.642 1.00 0.00 C ATOM 1462 C THR A 98 5.773 15.213 -5.193 1.00 0.00 C ATOM 1463 O THR A 98 5.723 15.414 -6.407 1.00 0.00 O ATOM 1464 CB THR A 98 7.175 13.179 -5.543 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.634 11.958 -4.952 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.352 14.118 -5.759 1.00 0.00 C ATOM 0 H THR A 98 4.556 12.672 -5.436 1.00 0.00 H new ATOM 0 HA THR A 98 6.511 13.933 -3.633 1.00 0.00 H new ATOM 0 HB THR A 98 6.720 12.966 -6.510 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.310 11.548 -5.531 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.091 13.634 -6.398 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.004 15.034 -6.236 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.806 14.359 -4.798 1.00 0.00 H new ATOM 1474 N LYS A 99 5.544 16.164 -4.293 1.00 0.00 N ATOM 1475 CA LYS A 99 5.214 17.528 -4.688 1.00 0.00 C ATOM 1476 C LYS A 99 6.224 18.519 -4.118 1.00 0.00 C ATOM 1477 O LYS A 99 6.863 18.253 -3.101 1.00 0.00 O ATOM 1478 CB LYS A 99 3.805 17.891 -4.215 1.00 0.00 C ATOM 1479 CG LYS A 99 3.114 18.921 -5.093 1.00 0.00 C ATOM 1480 CD LYS A 99 1.677 19.150 -4.658 1.00 0.00 C ATOM 1481 CE LYS A 99 1.582 20.235 -3.596 1.00 0.00 C ATOM 1482 NZ LYS A 99 0.301 20.162 -2.841 1.00 0.00 N ATOM 0 H LYS A 99 5.581 16.015 -3.285 1.00 0.00 H new ATOM 0 HA LYS A 99 5.251 17.584 -5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.197 16.987 -4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.860 18.273 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.662 19.862 -5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.132 18.587 -6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.075 19.431 -5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.261 18.221 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.418 20.139 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.670 21.214 -4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.275 20.918 -2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.496 20.279 -3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.228 19.238 -2.369 1.00 0.00 H new ATOM 1496 N ASN A 100 6.362 19.663 -4.781 1.00 0.00 N ATOM 1497 CA ASN A 100 7.294 20.694 -4.339 1.00 0.00 C ATOM 1498 C ASN A 100 8.734 20.195 -4.416 1.00 0.00 C ATOM 1499 O ASN A 100 9.511 20.361 -3.475 1.00 0.00 O ATOM 1500 CB ASN A 100 6.968 21.126 -2.908 1.00 0.00 C ATOM 1501 CG ASN A 100 5.982 22.278 -2.862 1.00 0.00 C ATOM 1502 OD1 ASN A 100 6.374 23.442 -2.787 1.00 0.00 O ATOM 1503 ND2 ASN A 100 4.695 21.956 -2.907 1.00 0.00 N ATOM 0 H ASN A 100 5.841 19.899 -5.625 1.00 0.00 H new ATOM 0 HA ASN A 100 7.190 21.552 -5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.557 20.278 -2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.888 21.418 -2.401 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.985 22.688 -2.880 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.416 20.977 -2.969 1.00 0.00 H new ATOM 1510 N ARG A 101 9.083 19.583 -5.543 1.00 0.00 N ATOM 1511 CA ARG A 101 10.429 19.059 -5.743 1.00 0.00 C ATOM 1512 C ARG A 101 10.883 18.251 -4.531 1.00 0.00 C ATOM 1513 O ARG A 101 12.057 18.275 -4.161 1.00 0.00 O ATOM 1514 CB ARG A 101 11.411 20.203 -6.003 1.00 0.00 C ATOM 1515 CG ARG A 101 11.586 21.137 -4.817 1.00 0.00 C ATOM 1516 CD ARG A 101 12.779 22.061 -5.008 1.00 0.00 C ATOM 1517 NE ARG A 101 12.459 23.197 -5.868 1.00 0.00 N ATOM 1518 CZ ARG A 101 13.244 24.260 -6.004 1.00 0.00 C ATOM 1519 NH1 ARG A 101 14.389 24.332 -5.340 1.00 0.00 N ATOM 1520 NH2 ARG A 101 12.884 25.254 -6.806 1.00 0.00 N ATOM 0 H ARG A 101 8.452 19.438 -6.331 1.00 0.00 H new ATOM 0 HA ARG A 101 10.410 18.400 -6.611 1.00 0.00 H new ATOM 0 HB2 ARG A 101 12.381 19.784 -6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 101 11.065 20.780 -6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.682 21.731 -4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 101 11.720 20.551 -3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 101 13.115 22.425 -4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 101 13.607 21.500 -5.442 1.00 0.00 H new ATOM 0 HE ARG A 101 11.585 23.173 -6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.669 23.570 -4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 101 14.990 25.149 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.004 25.202 -7.319 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.487 26.070 -6.910 1.00 0.00 H new ATOM 1534 N ARG A 102 9.945 17.536 -3.917 1.00 0.00 N ATOM 1535 CA ARG A 102 10.248 16.722 -2.747 1.00 0.00 C ATOM 1536 C ARG A 102 9.269 15.559 -2.625 1.00 0.00 C ATOM 1537 O ARG A 102 8.141 15.630 -3.114 1.00 0.00 O ATOM 1538 CB ARG A 102 10.202 17.577 -1.479 1.00 0.00 C ATOM 1539 CG ARG A 102 8.791 17.880 -1.000 1.00 0.00 C ATOM 1540 CD ARG A 102 8.777 18.298 0.462 1.00 0.00 C ATOM 1541 NE ARG A 102 9.289 17.247 1.338 1.00 0.00 N ATOM 1542 CZ ARG A 102 10.565 17.142 1.692 1.00 0.00 C ATOM 1543 NH1 ARG A 102 11.454 18.019 1.247 1.00 0.00 N ATOM 1544 NH2 ARG A 102 10.953 16.157 2.492 1.00 0.00 N ATOM 0 H ARG A 102 8.969 17.505 -4.211 1.00 0.00 H new ATOM 0 HA ARG A 102 11.253 16.317 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.744 17.064 -0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.723 18.516 -1.665 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.361 18.674 -1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.163 16.999 -1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 102 9.378 19.199 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.759 18.551 0.757 1.00 0.00 H new ATOM 0 HE ARG A 102 8.631 16.556 1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 102 11.159 18.777 0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 102 12.433 17.936 1.520 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.271 15.480 2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.933 16.077 2.764 1.00 0.00 H new ATOM 1558 N SER A 103 9.707 14.488 -1.970 1.00 0.00 N ATOM 1559 CA SER A 103 8.871 13.308 -1.788 1.00 0.00 C ATOM 1560 C SER A 103 8.409 13.188 -0.339 1.00 0.00 C ATOM 1561 O SER A 103 9.179 13.425 0.592 1.00 0.00 O ATOM 1562 CB SER A 103 9.635 12.047 -2.197 1.00 0.00 C ATOM 1563 OG SER A 103 11.025 12.194 -1.960 1.00 0.00 O ATOM 0 H SER A 103 10.637 14.414 -1.557 1.00 0.00 H new ATOM 0 HA SER A 103 7.992 13.414 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.256 11.191 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.463 11.840 -3.253 1.00 0.00 H new ATOM 0 HG SER A 103 11.491 11.375 -2.228 1.00 0.00 H new ATOM 1569 N SER A 104 7.145 12.818 -0.157 1.00 0.00 N ATOM 1570 CA SER A 104 6.577 12.671 1.178 1.00 0.00 C ATOM 1571 C SER A 104 6.719 11.234 1.673 1.00 0.00 C ATOM 1572 O SER A 104 7.345 10.398 1.020 1.00 0.00 O ATOM 1573 CB SER A 104 5.102 13.078 1.176 1.00 0.00 C ATOM 1574 OG SER A 104 4.283 12.025 0.698 1.00 0.00 O ATOM 0 H SER A 104 6.495 12.615 -0.917 1.00 0.00 H new ATOM 0 HA SER A 104 7.126 13.326 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.796 13.352 2.186 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.966 13.961 0.551 1.00 0.00 H new ATOM 0 HG SER A 104 3.345 12.310 0.708 1.00 0.00 H new ATOM 1580 N THR A 105 6.133 10.954 2.833 1.00 0.00 N ATOM 1581 CA THR A 105 6.194 9.620 3.417 1.00 0.00 C ATOM 1582 C THR A 105 5.061 8.741 2.900 1.00 0.00 C ATOM 1583 O THR A 105 4.065 9.240 2.377 1.00 0.00 O ATOM 1584 CB THR A 105 6.123 9.677 4.955 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.386 8.382 5.506 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.756 10.161 5.416 1.00 0.00 C ATOM 0 H THR A 105 5.611 11.633 3.386 1.00 0.00 H new ATOM 0 HA THR A 105 7.150 9.188 3.120 1.00 0.00 H new ATOM 0 HB THR A 105 6.878 10.381 5.305 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.341 8.427 6.484 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.730 10.193 6.505 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.570 11.159 5.019 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.987 9.478 5.054 1.00 0.00 H new ATOM 1594 N TRP A 106 5.220 7.431 3.049 1.00 0.00 N ATOM 1595 CA TRP A 106 4.209 6.482 2.597 1.00 0.00 C ATOM 1596 C TRP A 106 3.115 6.312 3.645 1.00 0.00 C ATOM 1597 O TRP A 106 3.397 6.194 4.837 1.00 0.00 O ATOM 1598 CB TRP A 106 4.853 5.129 2.289 1.00 0.00 C ATOM 1599 CG TRP A 106 5.856 5.187 1.177 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.164 5.568 1.274 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.633 4.857 -0.198 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.767 5.494 0.041 1.00 0.00 N ATOM 1603 CE2 TRP A 106 6.849 5.060 -0.878 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.524 4.407 -0.920 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 6.985 4.829 -2.244 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 4.661 4.179 -2.276 1.00 0.00 C ATOM 1607 CH2 TRP A 106 5.884 4.389 -2.927 1.00 0.00 C ATOM 0 H TRP A 106 6.039 7.002 3.479 1.00 0.00 H new ATOM 0 HA TRP A 106 3.756 6.876 1.687 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.340 4.754 3.189 1.00 0.00 H new ATOM 0 HB3 TRP A 106 4.072 4.414 2.028 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.652 5.881 2.185 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.741 5.725 -0.157 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.578 4.241 -0.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 7.927 4.991 -2.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 3.810 3.833 -2.844 1.00 0.00 H new ATOM 0 HH2 TRP A 106 5.959 4.200 -3.988 1.00 0.00 H new ATOM 1618 N SER A 107 1.865 6.299 3.192 1.00 0.00 N ATOM 1619 CA SER A 107 0.728 6.147 4.092 1.00 0.00 C ATOM 1620 C SER A 107 0.721 4.760 4.729 1.00 0.00 C ATOM 1621 O SER A 107 1.648 3.973 4.538 1.00 0.00 O ATOM 1622 CB SER A 107 -0.582 6.379 3.337 1.00 0.00 C ATOM 1623 OG SER A 107 -1.690 6.361 4.220 1.00 0.00 O ATOM 0 H SER A 107 1.614 6.392 2.208 1.00 0.00 H new ATOM 0 HA SER A 107 0.821 6.891 4.883 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.542 7.337 2.819 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.708 5.609 2.575 1.00 0.00 H new ATOM 0 HG SER A 107 -2.081 7.258 4.273 1.00 0.00 H new ATOM 1629 N MET A 108 -0.331 4.469 5.487 1.00 0.00 N ATOM 1630 CA MET A 108 -0.460 3.178 6.152 1.00 0.00 C ATOM 1631 C MET A 108 -0.272 2.035 5.160 1.00 0.00 C ATOM 1632 O MET A 108 -0.529 2.187 3.965 1.00 0.00 O ATOM 1633 CB MET A 108 -1.827 3.063 6.829 1.00 0.00 C ATOM 1634 CG MET A 108 -2.995 3.225 5.869 1.00 0.00 C ATOM 1635 SD MET A 108 -3.275 1.758 4.860 1.00 0.00 S ATOM 1636 CE MET A 108 -4.683 1.034 5.698 1.00 0.00 C ATOM 0 H MET A 108 -1.106 5.110 5.656 1.00 0.00 H new ATOM 0 HA MET A 108 0.319 3.108 6.911 1.00 0.00 H new ATOM 0 HB2 MET A 108 -1.901 2.092 7.318 1.00 0.00 H new ATOM 0 HB3 MET A 108 -1.901 3.819 7.610 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.898 3.448 6.437 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.809 4.079 5.218 1.00 0.00 H new ATOM 0 HE1 MET A 108 -4.976 0.115 5.190 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.415 0.808 6.730 1.00 0.00 H new ATOM 0 HE3 MET A 108 -5.516 1.737 5.685 1.00 0.00 H new ATOM 1646 N THR A 109 0.178 0.889 5.662 1.00 0.00 N ATOM 1647 CA THR A 109 0.401 -0.280 4.820 1.00 0.00 C ATOM 1648 C THR A 109 -0.866 -1.118 4.695 1.00 0.00 C ATOM 1649 O THR A 109 -1.523 -1.419 5.691 1.00 0.00 O ATOM 1650 CB THR A 109 1.535 -1.163 5.374 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.766 -0.433 5.380 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.693 -2.426 4.541 1.00 0.00 C ATOM 0 H THR A 109 0.395 0.746 6.648 1.00 0.00 H new ATOM 0 HA THR A 109 0.687 0.090 3.835 1.00 0.00 H new ATOM 0 HB THR A 109 1.278 -1.449 6.394 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.517 -1.057 5.292 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.500 -3.034 4.951 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.763 -2.995 4.562 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.930 -2.156 3.512 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.204 -1.493 3.466 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.391 -2.299 3.212 1.00 0.00 C ATOM 1662 C ALA A 110 -2.015 -3.735 2.862 1.00 0.00 C ATOM 1663 O ALA A 110 -1.252 -3.977 1.926 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.219 -1.681 2.095 1.00 0.00 C ATOM 0 H ALA A 110 -0.672 -1.251 2.630 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.988 -2.319 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.103 -2.293 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.526 -0.676 2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.622 -1.630 1.185 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.555 -4.684 3.620 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.275 -6.097 3.390 1.00 0.00 C ATOM 1672 C HIS A 111 -3.382 -6.741 2.560 1.00 0.00 C ATOM 1673 O HIS A 111 -4.566 -6.535 2.820 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.127 -6.833 4.722 1.00 0.00 C ATOM 1675 CG HIS A 111 -0.755 -6.729 5.314 1.00 0.00 C ATOM 1676 ND1 HIS A 111 -0.350 -6.658 6.603 1.00 0.00 N flip ATOM 1677 CD2 HIS A 111 0.393 -6.684 4.551 1.00 0.00 C flip ATOM 1678 CE1 HIS A 111 1.021 -6.575 6.596 1.00 0.00 C flip ATOM 1679 NE2 HIS A 111 1.444 -6.593 5.345 1.00 0.00 N flip ATOM 0 H HIS A 111 -3.188 -4.501 4.398 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.339 -6.172 2.837 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -2.851 -6.433 5.431 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.372 -7.885 4.576 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -0.951 -6.665 7.427 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.427 -6.718 3.472 1.00 0.00 H new ATOM 0 HE1 HIS A 111 1.650 -6.506 7.471 1.00 0.00 H new ATOM 1688 N ALA A 112 -2.986 -7.522 1.559 1.00 0.00 N ATOM 1689 CA ALA A 112 -3.944 -8.197 0.692 1.00 0.00 C ATOM 1690 C ALA A 112 -3.321 -9.425 0.038 1.00 0.00 C ATOM 1691 O ALA A 112 -2.420 -9.309 -0.794 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.463 -7.237 -0.368 1.00 0.00 C ATOM 0 H ALA A 112 -2.009 -7.702 1.329 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.781 -8.530 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.177 -7.754 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.954 -6.392 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.630 -6.876 -0.971 1.00 0.00 H new ATOM 1698 N THR A 113 -3.805 -10.603 0.419 1.00 0.00 N ATOM 1699 CA THR A 113 -3.295 -11.853 -0.130 1.00 0.00 C ATOM 1700 C THR A 113 -3.943 -12.170 -1.472 1.00 0.00 C ATOM 1701 O THR A 113 -5.091 -11.801 -1.722 1.00 0.00 O ATOM 1702 CB THR A 113 -3.536 -13.030 0.834 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.252 -12.628 2.179 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.668 -14.222 0.462 1.00 0.00 C ATOM 0 H THR A 113 -4.550 -10.717 1.106 1.00 0.00 H new ATOM 0 HA THR A 113 -2.222 -11.721 -0.270 1.00 0.00 H new ATOM 0 HB THR A 113 -4.582 -13.325 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.409 -13.381 2.786 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.856 -15.040 1.157 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.908 -14.544 -0.551 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.617 -13.937 0.513 1.00 0.00 H new ATOM 1712 N THR A 114 -3.201 -12.857 -2.336 1.00 0.00 N ATOM 1713 CA THR A 114 -3.704 -13.223 -3.654 1.00 0.00 C ATOM 1714 C THR A 114 -4.385 -14.587 -3.623 1.00 0.00 C ATOM 1715 O THR A 114 -4.180 -15.373 -2.698 1.00 0.00 O ATOM 1716 CB THR A 114 -2.573 -13.250 -4.699 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.478 -14.036 -4.215 1.00 0.00 O ATOM 1718 CG2 THR A 114 -2.092 -11.841 -5.013 1.00 0.00 C ATOM 0 H THR A 114 -2.249 -13.171 -2.146 1.00 0.00 H new ATOM 0 HA THR A 114 -4.432 -12.463 -3.937 1.00 0.00 H new ATOM 0 HB THR A 114 -2.964 -13.696 -5.614 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.696 -13.895 -4.788 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.293 -11.886 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.921 -11.253 -5.408 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.717 -11.373 -4.103 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.194 -14.861 -4.640 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.906 -16.130 -4.729 1.00 0.00 C ATOM 1728 C TYR A 115 -4.964 -17.256 -5.144 1.00 0.00 C ATOM 1729 O TYR A 115 -4.042 -17.049 -5.931 1.00 0.00 O ATOM 1730 CB TYR A 115 -7.061 -16.023 -5.726 1.00 0.00 C ATOM 1731 CG TYR A 115 -8.022 -14.896 -5.420 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -9.076 -15.077 -4.534 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.875 -13.650 -6.018 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.957 -14.051 -4.252 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.751 -12.618 -5.741 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.790 -12.824 -4.858 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.665 -11.799 -4.579 1.00 0.00 O ATOM 0 H TYR A 115 -5.373 -14.222 -5.414 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.307 -16.361 -3.742 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.654 -15.881 -6.727 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.610 -16.965 -5.736 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -9.209 -16.037 -4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.063 -13.486 -6.711 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.772 -14.209 -3.561 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.623 -11.655 -6.213 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.308 -10.958 -4.934 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.205 -18.449 -4.607 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.378 -19.608 -4.922 1.00 0.00 C ATOM 1749 C GLU A 116 -4.474 -19.959 -6.403 1.00 0.00 C ATOM 1750 O GLU A 116 -5.518 -20.402 -6.881 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.802 -20.809 -4.073 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.665 -21.770 -3.768 1.00 0.00 C ATOM 1753 CD GLU A 116 -4.124 -22.990 -2.993 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -4.915 -22.824 -2.041 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.692 -24.109 -3.338 1.00 0.00 O ATOM 0 H GLU A 116 -5.965 -18.637 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.342 -19.357 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.224 -20.449 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.594 -21.349 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.204 -22.090 -4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.897 -21.249 -3.196 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.377 -19.757 -7.126 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.336 -20.053 -8.552 1.00 0.00 C ATOM 1764 C ALA A 117 -3.971 -21.407 -8.850 1.00 0.00 C ATOM 1765 O ALA A 117 -4.674 -21.568 -9.848 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.901 -20.018 -9.057 1.00 0.00 C ATOM 0 H ALA A 117 -2.505 -19.389 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.912 -19.288 -9.074 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.885 -20.241 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.480 -19.027 -8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.309 -20.761 -8.522 1.00 0.00 H new ATOM 1772 N SER A 118 -3.719 -22.379 -7.979 1.00 0.00 N ATOM 1773 CA SER A 118 -4.262 -23.721 -8.152 1.00 0.00 C ATOM 1774 C SER A 118 -5.473 -23.937 -7.249 1.00 0.00 C ATOM 1775 O SER A 118 -5.380 -24.596 -6.214 1.00 0.00 O ATOM 1776 CB SER A 118 -3.192 -24.771 -7.848 1.00 0.00 C ATOM 1777 OG SER A 118 -2.140 -24.715 -8.797 1.00 0.00 O ATOM 0 H SER A 118 -3.142 -22.262 -7.146 1.00 0.00 H new ATOM 0 HA SER A 118 -4.580 -23.826 -9.189 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.792 -24.609 -6.847 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.640 -25.765 -7.855 1.00 0.00 H new ATOM 0 HG SER A 118 -1.468 -25.394 -8.581 1.00 0.00 H new ATOM 1783 N GLY A 119 -6.610 -23.375 -7.649 1.00 0.00 N ATOM 1784 CA GLY A 119 -7.823 -23.517 -6.866 1.00 0.00 C ATOM 1785 C GLY A 119 -9.026 -22.887 -7.540 1.00 0.00 C ATOM 1786 O GLY A 119 -9.362 -21.727 -7.300 1.00 0.00 O ATOM 0 H GLY A 119 -6.712 -22.824 -8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.019 -24.575 -6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.676 -23.058 -5.888 1.00 0.00 H new ATOM 1790 N PRO A 120 -9.695 -23.660 -8.408 1.00 0.00 N ATOM 1791 CA PRO A 120 -10.877 -23.191 -9.138 1.00 0.00 C ATOM 1792 C PRO A 120 -12.084 -23.000 -8.226 1.00 0.00 C ATOM 1793 O PRO A 120 -13.129 -22.514 -8.658 1.00 0.00 O ATOM 1794 CB PRO A 120 -11.140 -24.313 -10.145 1.00 0.00 C ATOM 1795 CG PRO A 120 -10.545 -25.528 -9.523 1.00 0.00 C ATOM 1796 CD PRO A 120 -9.351 -25.052 -8.743 1.00 0.00 C ATOM 0 HA PRO A 120 -10.712 -22.217 -9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -12.207 -24.442 -10.324 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -10.679 -24.096 -11.109 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -11.264 -26.025 -8.871 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -10.251 -26.252 -10.283 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -9.190 -25.653 -7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -8.437 -25.109 -9.333 1.00 0.00 H new ATOM 1804 N SER A 121 -11.932 -23.385 -6.963 1.00 0.00 N ATOM 1805 CA SER A 121 -13.011 -23.259 -5.990 1.00 0.00 C ATOM 1806 C SER A 121 -12.597 -22.356 -4.833 1.00 0.00 C ATOM 1807 O SER A 121 -11.421 -22.288 -4.474 1.00 0.00 O ATOM 1808 CB SER A 121 -13.411 -24.637 -5.459 1.00 0.00 C ATOM 1809 OG SER A 121 -14.015 -25.419 -6.475 1.00 0.00 O ATOM 0 H SER A 121 -11.072 -23.787 -6.589 1.00 0.00 H new ATOM 0 HA SER A 121 -13.868 -22.808 -6.491 1.00 0.00 H new ATOM 0 HB2 SER A 121 -12.530 -25.152 -5.075 1.00 0.00 H new ATOM 0 HB3 SER A 121 -14.103 -24.522 -4.625 1.00 0.00 H new ATOM 0 HG SER A 121 -14.260 -26.295 -6.111 1.00 0.00 H new ATOM 1815 N SER A 122 -13.572 -21.663 -4.252 1.00 0.00 N ATOM 1816 CA SER A 122 -13.309 -20.761 -3.137 1.00 0.00 C ATOM 1817 C SER A 122 -14.180 -21.114 -1.936 1.00 0.00 C ATOM 1818 O SER A 122 -15.403 -21.194 -2.044 1.00 0.00 O ATOM 1819 CB SER A 122 -13.562 -19.311 -3.557 1.00 0.00 C ATOM 1820 OG SER A 122 -12.955 -18.405 -2.651 1.00 0.00 O ATOM 0 H SER A 122 -14.551 -21.709 -4.535 1.00 0.00 H new ATOM 0 HA SER A 122 -12.263 -20.872 -2.850 1.00 0.00 H new ATOM 0 HB2 SER A 122 -13.169 -19.146 -4.560 1.00 0.00 H new ATOM 0 HB3 SER A 122 -14.635 -19.123 -3.600 1.00 0.00 H new ATOM 0 HG SER A 122 -13.129 -17.486 -2.942 1.00 0.00 H new ATOM 1826 N GLY A 123 -13.540 -21.324 -0.790 1.00 0.00 N ATOM 1827 CA GLY A 123 -14.271 -21.666 0.417 1.00 0.00 C ATOM 1828 C GLY A 123 -13.366 -22.189 1.514 1.00 0.00 C ATOM 1829 O GLY A 123 -12.728 -21.413 2.225 1.00 0.00 O ATOM 0 H GLY A 123 -12.528 -21.264 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -14.803 -20.786 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -15.024 -22.419 0.181 1.00 0.00 H new TER 1833 GLY A 123