USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 853 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 92 LYS NZ :NH3+ -109:sc= -0.0707 (180deg=-1.5!) USER MOD Set 1.2: A 96 GLN : amide:sc= 0.282 K(o=0.21,f=-2.6) USER MOD Set 2.1: A 80 THR OG1 : rot -25:sc= 0.297 USER MOD Set 2.2: A 81 SER OG : rot 180:sc= 0.0251 USER MOD Set 3.1: A 21 THR OG1 : rot -90:sc= -0.0527 USER MOD Set 3.2: A 45 GLN : amide:sc= -0.105 K(o=-0.16,f=2) USER MOD Set 4.1: A 15 THR OG1 : rot 59:sc= -0.0523 USER MOD Set 4.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 4.3: A 56 LYS NZ :NH3+ -120:sc= 0.252 (180deg=-2.83!) USER MOD Single : A 1 CYS N :NH3+ -177:sc= -0.202 (180deg=-0.238) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -69:sc= 0.101 USER MOD Single : A 5 THR OG1 : rot -60:sc= -4.45! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -4! C(o=-4!,f=-13!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 65:sc= 0.745 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 53:sc= 1.06 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -8.3! C(o=-8.3!,f=-1.6!) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 39 GLN : amide:sc= -3.47! C(o=-3.5!,f=-3.8!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.862 K(o=-0.86,f=-3.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.171 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -74:sc= 0.162 USER MOD Single : A 68 MET CE :methyl -127:sc= 0 (180deg=-0.374) USER MOD Single : A 69 GLN : amide:sc= -0.0746 X(o=-0.075,f=-0.55) USER MOD Single : A 70 THR OG1 : rot 64:sc= 0.0429 USER MOD Single : A 73 ASN : amide:sc= -0.0307 K(o=-0.031,f=-1.3) USER MOD Single : A 74 SER OG : rot -80:sc= -1.45 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 154:sc=-0.00789 (180deg=-0.52) USER MOD Single : A 93 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.31) USER MOD Single : A 100 THR OG1 : rot -92:sc= -0.314 USER MOD Single : A 101 GLN : amide:sc= -1.21! K(o=-1.2!,f=-0.09) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 77.899 10.758 10.446 1.00 0.00 N ATOM 2 CA CYS A 1 79.347 10.799 10.803 1.00 0.00 C ATOM 3 C CYS A 1 79.548 10.145 12.166 1.00 0.00 C ATOM 4 O CYS A 1 80.680 9.956 12.611 1.00 0.00 O ATOM 5 CB CYS A 1 79.818 12.253 10.846 1.00 0.00 C ATOM 6 SG CYS A 1 79.950 12.896 9.159 1.00 0.00 S ATOM 0 H1 CYS A 1 77.764 11.157 9.495 1.00 0.00 H new ATOM 0 H2 CYS A 1 77.566 9.773 10.458 1.00 0.00 H new ATOM 0 H3 CYS A 1 77.356 11.316 11.135 1.00 0.00 H new ATOM 0 HA CYS A 1 79.928 10.258 10.056 1.00 0.00 H new ATOM 0 HB2 CYS A 1 79.117 12.856 11.423 1.00 0.00 H new ATOM 0 HB3 CYS A 1 80.783 12.319 11.348 1.00 0.00 H new ATOM 0 HG CYS A 1 80.348 14.133 9.196 1.00 0.00 H new ATOM 14 N ASP A 2 78.446 9.800 12.820 1.00 0.00 N ATOM 15 CA ASP A 2 78.516 9.164 14.132 1.00 0.00 C ATOM 16 C ASP A 2 78.817 7.677 13.990 1.00 0.00 C ATOM 17 O ASP A 2 78.145 6.965 13.243 1.00 0.00 O ATOM 18 CB ASP A 2 77.192 9.351 14.875 1.00 0.00 C ATOM 19 CG ASP A 2 77.083 10.782 15.394 1.00 0.00 C ATOM 20 OD1 ASP A 2 76.777 11.656 14.601 1.00 0.00 O ATOM 21 OD2 ASP A 2 77.305 10.980 16.576 1.00 0.00 O ATOM 0 H ASP A 2 77.500 9.948 12.468 1.00 0.00 H new ATOM 0 HA ASP A 2 79.319 9.633 14.700 1.00 0.00 H new ATOM 0 HB2 ASP A 2 76.357 9.132 14.209 1.00 0.00 H new ATOM 0 HB3 ASP A 2 77.129 8.648 15.706 1.00 0.00 H new ATOM 26 N SER A 3 79.831 7.212 14.713 1.00 0.00 N ATOM 27 CA SER A 3 80.212 5.805 14.659 1.00 0.00 C ATOM 28 C SER A 3 79.124 4.934 15.279 1.00 0.00 C ATOM 29 O SER A 3 78.393 5.375 16.166 1.00 0.00 O ATOM 30 CB SER A 3 81.527 5.590 15.410 1.00 0.00 C ATOM 31 OG SER A 3 82.206 6.833 15.533 1.00 0.00 O ATOM 0 H SER A 3 80.399 7.783 15.338 1.00 0.00 H new ATOM 0 HA SER A 3 80.340 5.522 13.614 1.00 0.00 H new ATOM 0 HB2 SER A 3 81.331 5.170 16.397 1.00 0.00 H new ATOM 0 HB3 SER A 3 82.151 4.873 14.876 1.00 0.00 H new ATOM 0 HG SER A 3 82.514 7.126 14.650 1.00 0.00 H new ATOM 37 N GLY A 4 79.025 3.695 14.811 1.00 0.00 N ATOM 38 CA GLY A 4 78.021 2.772 15.332 1.00 0.00 C ATOM 39 C GLY A 4 76.805 2.709 14.414 1.00 0.00 C ATOM 40 O GLY A 4 76.485 3.679 13.727 1.00 0.00 O ATOM 0 H GLY A 4 79.621 3.308 14.079 1.00 0.00 H new ATOM 0 HA2 GLY A 4 78.455 1.777 15.435 1.00 0.00 H new ATOM 0 HA3 GLY A 4 77.713 3.089 16.328 1.00 0.00 H new ATOM 44 N THR A 5 76.133 1.560 14.401 1.00 0.00 N ATOM 45 CA THR A 5 74.956 1.382 13.557 1.00 0.00 C ATOM 46 C THR A 5 74.268 0.053 13.861 1.00 0.00 C ATOM 47 O THR A 5 74.196 -0.372 15.014 1.00 0.00 O ATOM 48 CB THR A 5 75.362 1.419 12.083 1.00 0.00 C ATOM 49 OG1 THR A 5 76.522 2.224 11.934 1.00 0.00 O ATOM 50 CG2 THR A 5 74.225 2.007 11.246 1.00 0.00 C ATOM 0 H THR A 5 76.382 0.745 14.961 1.00 0.00 H new ATOM 0 HA THR A 5 74.259 2.194 13.766 1.00 0.00 H new ATOM 0 HB THR A 5 75.572 0.405 11.742 1.00 0.00 H new ATOM 0 HG1 THR A 5 76.330 3.134 12.242 1.00 0.00 H new ATOM 0 HG21 THR A 5 74.520 2.031 10.197 1.00 0.00 H new ATOM 0 HG22 THR A 5 73.334 1.390 11.358 1.00 0.00 H new ATOM 0 HG23 THR A 5 74.010 3.020 11.585 1.00 0.00 H new ATOM 58 N GLY A 6 73.767 -0.601 12.814 1.00 0.00 N ATOM 59 CA GLY A 6 73.089 -1.882 12.975 1.00 0.00 C ATOM 60 C GLY A 6 73.243 -2.746 11.725 1.00 0.00 C ATOM 61 O GLY A 6 72.312 -3.442 11.322 1.00 0.00 O ATOM 0 H GLY A 6 73.818 -0.266 11.852 1.00 0.00 H new ATOM 0 HA2 GLY A 6 73.499 -2.408 13.837 1.00 0.00 H new ATOM 0 HA3 GLY A 6 72.031 -1.714 13.177 1.00 0.00 H new ATOM 65 N LEU A 7 74.425 -2.696 11.120 1.00 0.00 N ATOM 66 CA LEU A 7 74.695 -3.483 9.918 1.00 0.00 C ATOM 67 C LEU A 7 74.407 -4.960 10.184 1.00 0.00 C ATOM 68 O LEU A 7 73.686 -5.297 11.122 1.00 0.00 O ATOM 69 CB LEU A 7 76.162 -3.289 9.500 1.00 0.00 C ATOM 70 CG LEU A 7 76.246 -2.556 8.151 1.00 0.00 C ATOM 71 CD1 LEU A 7 75.710 -3.457 7.038 1.00 0.00 C ATOM 72 CD2 LEU A 7 75.418 -1.268 8.203 1.00 0.00 C ATOM 0 H LEU A 7 75.207 -2.124 11.438 1.00 0.00 H new ATOM 0 HA LEU A 7 74.047 -3.146 9.109 1.00 0.00 H new ATOM 0 HB2 LEU A 7 76.691 -2.719 10.264 1.00 0.00 H new ATOM 0 HB3 LEU A 7 76.656 -4.258 9.425 1.00 0.00 H new ATOM 0 HG LEU A 7 77.288 -2.308 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 7 75.772 -2.933 6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 7 76.305 -4.369 6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 7 74.671 -3.712 7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 7 75.483 -0.755 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 7 74.377 -1.513 8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 7 75.804 -0.619 8.989 1.00 0.00 H new ATOM 84 N THR A 8 74.964 -5.838 9.354 1.00 0.00 N ATOM 85 CA THR A 8 74.748 -7.271 9.520 1.00 0.00 C ATOM 86 C THR A 8 76.080 -8.015 9.582 1.00 0.00 C ATOM 87 O THR A 8 76.161 -9.117 10.126 1.00 0.00 O ATOM 88 CB THR A 8 73.914 -7.812 8.356 1.00 0.00 C ATOM 89 OG1 THR A 8 72.935 -6.849 7.992 1.00 0.00 O ATOM 90 CG2 THR A 8 73.224 -9.109 8.780 1.00 0.00 C ATOM 0 H THR A 8 75.562 -5.585 8.568 1.00 0.00 H new ATOM 0 HA THR A 8 74.214 -7.430 10.457 1.00 0.00 H new ATOM 0 HB THR A 8 74.563 -8.012 7.504 1.00 0.00 H new ATOM 0 HG1 THR A 8 72.400 -7.192 7.246 1.00 0.00 H new ATOM 0 HG21 THR A 8 72.630 -9.493 7.951 1.00 0.00 H new ATOM 0 HG22 THR A 8 73.976 -9.846 9.060 1.00 0.00 H new ATOM 0 HG23 THR A 8 72.573 -8.913 9.632 1.00 0.00 H new ATOM 98 N GLY A 9 77.121 -7.406 9.023 1.00 0.00 N ATOM 99 CA GLY A 9 78.445 -8.018 9.022 1.00 0.00 C ATOM 100 C GLY A 9 78.348 -9.533 8.875 1.00 0.00 C ATOM 101 O GLY A 9 79.100 -10.276 9.504 1.00 0.00 O ATOM 0 H GLY A 9 77.074 -6.495 8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 9 79.039 -7.607 8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 9 78.964 -7.772 9.948 1.00 0.00 H new ATOM 105 N ASN A 10 77.417 -9.984 8.042 1.00 0.00 N ATOM 106 CA ASN A 10 77.228 -11.413 7.820 1.00 0.00 C ATOM 107 C ASN A 10 78.534 -12.064 7.375 1.00 0.00 C ATOM 108 O ASN A 10 79.156 -12.810 8.131 1.00 0.00 O ATOM 109 CB ASN A 10 76.152 -11.632 6.754 1.00 0.00 C ATOM 110 CG ASN A 10 76.181 -13.077 6.266 1.00 0.00 C ATOM 111 OD1 ASN A 10 77.209 -13.551 5.779 1.00 0.00 O ATOM 112 ND2 ASN A 10 75.105 -13.809 6.365 1.00 0.00 N ATOM 0 H ASN A 10 76.784 -9.385 7.512 1.00 0.00 H new ATOM 0 HA ASN A 10 76.911 -11.872 8.756 1.00 0.00 H new ATOM 0 HB2 ASN A 10 75.170 -11.399 7.165 1.00 0.00 H new ATOM 0 HB3 ASN A 10 76.316 -10.954 5.916 1.00 0.00 H new ATOM 0 HD21 ASN A 10 75.114 -14.775 6.039 1.00 0.00 H new ATOM 0 HD22 ASN A 10 74.255 -13.415 6.768 1.00 0.00 H new ATOM 119 N TYR A 11 78.941 -11.776 6.143 1.00 0.00 N ATOM 120 CA TYR A 11 80.173 -12.336 5.600 1.00 0.00 C ATOM 121 C TYR A 11 80.459 -11.740 4.225 1.00 0.00 C ATOM 122 O TYR A 11 80.416 -10.521 4.048 1.00 0.00 O ATOM 123 CB TYR A 11 80.051 -13.859 5.491 1.00 0.00 C ATOM 124 CG TYR A 11 81.430 -14.473 5.435 1.00 0.00 C ATOM 125 CD1 TYR A 11 82.301 -14.339 6.522 1.00 0.00 C ATOM 126 CD2 TYR A 11 81.838 -15.177 4.294 1.00 0.00 C ATOM 127 CE1 TYR A 11 83.579 -14.907 6.470 1.00 0.00 C ATOM 128 CE2 TYR A 11 83.117 -15.746 4.243 1.00 0.00 C ATOM 129 CZ TYR A 11 83.988 -15.609 5.332 1.00 0.00 C ATOM 130 OH TYR A 11 85.248 -16.169 5.280 1.00 0.00 O ATOM 0 H TYR A 11 78.438 -11.160 5.504 1.00 0.00 H new ATOM 0 HA TYR A 11 80.997 -12.091 6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 11 79.501 -14.252 6.346 1.00 0.00 H new ATOM 0 HB3 TYR A 11 79.486 -14.126 4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 11 81.987 -13.797 7.402 1.00 0.00 H new ATOM 0 HD2 TYR A 11 81.167 -15.281 3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 11 84.250 -14.803 7.310 1.00 0.00 H new ATOM 0 HE2 TYR A 11 83.432 -16.290 3.365 1.00 0.00 H new ATOM 0 HH TYR A 11 85.370 -16.622 4.419 1.00 0.00 H new ATOM 140 N SER A 12 80.743 -12.600 3.253 1.00 0.00 N ATOM 141 CA SER A 12 81.023 -12.135 1.900 1.00 0.00 C ATOM 142 C SER A 12 79.899 -11.229 1.412 1.00 0.00 C ATOM 143 O SER A 12 80.137 -10.289 0.659 1.00 0.00 O ATOM 144 CB SER A 12 81.167 -13.327 0.954 1.00 0.00 C ATOM 145 OG SER A 12 82.362 -14.033 1.267 1.00 0.00 O ATOM 0 H SER A 12 80.785 -13.612 3.374 1.00 0.00 H new ATOM 0 HA SER A 12 81.956 -11.572 1.912 1.00 0.00 H new ATOM 0 HB2 SER A 12 80.305 -13.988 1.049 1.00 0.00 H new ATOM 0 HB3 SER A 12 81.194 -12.984 -0.080 1.00 0.00 H new ATOM 0 HG SER A 12 82.292 -14.412 2.168 1.00 0.00 H new ATOM 151 N GLN A 13 78.676 -11.519 1.848 1.00 0.00 N ATOM 152 CA GLN A 13 77.521 -10.723 1.453 1.00 0.00 C ATOM 153 C GLN A 13 77.646 -9.295 1.981 1.00 0.00 C ATOM 154 O GLN A 13 77.487 -8.329 1.236 1.00 0.00 O ATOM 155 CB GLN A 13 76.239 -11.356 1.999 1.00 0.00 C ATOM 156 CG GLN A 13 76.243 -12.859 1.697 1.00 0.00 C ATOM 157 CD GLN A 13 74.848 -13.320 1.251 1.00 0.00 C ATOM 158 OE1 GLN A 13 74.645 -13.594 0.068 1.00 0.00 O ATOM 159 NE2 GLN A 13 73.864 -13.427 2.118 1.00 0.00 N ATOM 0 H GLN A 13 78.461 -12.296 2.472 1.00 0.00 H new ATOM 0 HA GLN A 13 77.480 -10.695 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 13 76.168 -11.190 3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 13 75.367 -10.885 1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 13 76.972 -13.077 0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 13 76.550 -13.414 2.584 1.00 0.00 H new ATOM 0 HE21 GLN A 13 74.023 -13.202 3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 13 72.942 -13.735 1.808 1.00 0.00 H new ATOM 168 N ASP A 14 77.934 -9.172 3.269 1.00 0.00 N ATOM 169 CA ASP A 14 78.082 -7.859 3.883 1.00 0.00 C ATOM 170 C ASP A 14 79.398 -7.220 3.455 1.00 0.00 C ATOM 171 O ASP A 14 79.512 -5.997 3.381 1.00 0.00 O ATOM 172 CB ASP A 14 78.044 -7.987 5.407 1.00 0.00 C ATOM 173 CG ASP A 14 77.413 -6.739 6.017 1.00 0.00 C ATOM 174 OD1 ASP A 14 78.047 -5.698 5.976 1.00 0.00 O ATOM 175 OD2 ASP A 14 76.305 -6.844 6.518 1.00 0.00 O ATOM 0 H ASP A 14 78.069 -9.958 3.905 1.00 0.00 H new ATOM 0 HA ASP A 14 77.258 -7.226 3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 14 77.473 -8.870 5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 14 79.054 -8.121 5.795 1.00 0.00 H new ATOM 180 N THR A 15 80.393 -8.058 3.177 1.00 0.00 N ATOM 181 CA THR A 15 81.700 -7.566 2.761 1.00 0.00 C ATOM 182 C THR A 15 81.632 -6.946 1.370 1.00 0.00 C ATOM 183 O THR A 15 82.124 -5.842 1.152 1.00 0.00 O ATOM 184 CB THR A 15 82.706 -8.716 2.748 1.00 0.00 C ATOM 185 OG1 THR A 15 82.554 -9.489 3.930 1.00 0.00 O ATOM 186 CG2 THR A 15 84.128 -8.156 2.681 1.00 0.00 C ATOM 0 H THR A 15 80.319 -9.074 3.232 1.00 0.00 H new ATOM 0 HA THR A 15 82.016 -6.802 3.471 1.00 0.00 H new ATOM 0 HB THR A 15 82.526 -9.345 1.876 1.00 0.00 H new ATOM 0 HG1 THR A 15 81.637 -9.830 3.982 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.843 -8.979 2.672 1.00 0.00 H new ATOM 0 HG22 THR A 15 84.244 -7.565 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 15 84.312 -7.525 3.551 1.00 0.00 H new ATOM 194 N LEU A 16 81.021 -7.662 0.432 1.00 0.00 N ATOM 195 CA LEU A 16 80.903 -7.165 -0.932 1.00 0.00 C ATOM 196 C LEU A 16 79.916 -6.006 -0.991 1.00 0.00 C ATOM 197 O LEU A 16 80.025 -5.134 -1.848 1.00 0.00 O ATOM 198 CB LEU A 16 80.459 -8.289 -1.874 1.00 0.00 C ATOM 199 CG LEU A 16 79.037 -8.735 -1.515 1.00 0.00 C ATOM 200 CD1 LEU A 16 77.993 -7.792 -2.135 1.00 0.00 C ATOM 201 CD2 LEU A 16 78.809 -10.154 -2.037 1.00 0.00 C ATOM 0 H LEU A 16 80.604 -8.579 0.590 1.00 0.00 H new ATOM 0 HA LEU A 16 81.880 -6.807 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 16 80.492 -7.944 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 16 81.145 -9.133 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 16 78.927 -8.709 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 16 76.992 -8.130 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 16 78.148 -6.780 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 16 78.098 -7.796 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 16 77.799 -10.477 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 16 78.934 -10.168 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 16 79.531 -10.830 -1.579 1.00 0.00 H new ATOM 213 N THR A 17 78.956 -6.001 -0.071 1.00 0.00 N ATOM 214 CA THR A 17 77.962 -4.935 -0.030 1.00 0.00 C ATOM 215 C THR A 17 78.633 -3.602 0.292 1.00 0.00 C ATOM 216 O THR A 17 78.488 -2.623 -0.444 1.00 0.00 O ATOM 217 CB THR A 17 76.902 -5.248 1.029 1.00 0.00 C ATOM 218 OG1 THR A 17 76.141 -6.373 0.615 1.00 0.00 O ATOM 219 CG2 THR A 17 75.979 -4.042 1.205 1.00 0.00 C ATOM 0 H THR A 17 78.846 -6.715 0.649 1.00 0.00 H new ATOM 0 HA THR A 17 77.483 -4.865 -1.007 1.00 0.00 H new ATOM 0 HB THR A 17 77.391 -5.468 1.978 1.00 0.00 H new ATOM 0 HG1 THR A 17 76.745 -7.113 0.394 1.00 0.00 H new ATOM 0 HG21 THR A 17 75.225 -4.268 1.959 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.564 -3.179 1.523 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.488 -3.818 0.258 1.00 0.00 H new ATOM 227 N VAL A 18 79.377 -3.571 1.393 1.00 0.00 N ATOM 228 CA VAL A 18 80.070 -2.354 1.792 1.00 0.00 C ATOM 229 C VAL A 18 81.130 -1.985 0.758 1.00 0.00 C ATOM 230 O VAL A 18 81.128 -0.878 0.219 1.00 0.00 O ATOM 231 CB VAL A 18 80.728 -2.549 3.160 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.561 -1.314 3.504 1.00 0.00 C ATOM 233 CG2 VAL A 18 79.644 -2.748 4.223 1.00 0.00 C ATOM 0 H VAL A 18 79.514 -4.366 2.018 1.00 0.00 H new ATOM 0 HA VAL A 18 79.342 -1.545 1.857 1.00 0.00 H new ATOM 0 HB VAL A 18 81.374 -3.426 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 18 82.030 -1.451 4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.332 -1.173 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 18 80.915 -0.436 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 18 80.111 -2.887 5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 18 78.998 -1.871 4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 18 79.050 -3.628 3.977 1.00 0.00 H new ATOM 243 N ILE A 19 82.031 -2.924 0.479 1.00 0.00 N ATOM 244 CA ILE A 19 83.089 -2.688 -0.498 1.00 0.00 C ATOM 245 C ILE A 19 82.488 -2.280 -1.828 1.00 0.00 C ATOM 246 O ILE A 19 83.109 -1.550 -2.600 1.00 0.00 O ATOM 247 CB ILE A 19 83.946 -3.950 -0.668 1.00 0.00 C ATOM 248 CG1 ILE A 19 85.438 -3.574 -0.635 1.00 0.00 C ATOM 249 CG2 ILE A 19 83.605 -4.657 -1.989 1.00 0.00 C ATOM 250 CD1 ILE A 19 85.803 -2.712 -1.848 1.00 0.00 C ATOM 0 H ILE A 19 82.050 -3.847 0.912 1.00 0.00 H new ATOM 0 HA ILE A 19 83.726 -1.880 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 19 83.732 -4.634 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 19 85.662 -3.032 0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 19 86.047 -4.478 -0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 19 84.222 -5.550 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 19 82.553 -4.941 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 19 83.798 -3.983 -2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 19 86.862 -2.456 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 19 85.599 -3.267 -2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 19 85.208 -1.799 -1.837 1.00 0.00 H new ATOM 262 N ALA A 20 81.279 -2.745 -2.091 1.00 0.00 N ATOM 263 CA ALA A 20 80.627 -2.403 -3.336 1.00 0.00 C ATOM 264 C ALA A 20 80.315 -0.915 -3.353 1.00 0.00 C ATOM 265 O ALA A 20 80.478 -0.249 -4.374 1.00 0.00 O ATOM 266 CB ALA A 20 79.347 -3.216 -3.525 1.00 0.00 C ATOM 0 H ALA A 20 80.740 -3.349 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 20 81.299 -2.642 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 20 78.876 -2.940 -4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 20 79.589 -4.279 -3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 20 78.661 -3.011 -2.703 1.00 0.00 H new ATOM 272 N THR A 21 79.888 -0.394 -2.208 1.00 0.00 N ATOM 273 CA THR A 21 79.590 1.027 -2.110 1.00 0.00 C ATOM 274 C THR A 21 80.853 1.816 -2.431 1.00 0.00 C ATOM 275 O THR A 21 80.815 2.811 -3.158 1.00 0.00 O ATOM 276 CB THR A 21 79.103 1.371 -0.702 1.00 0.00 C ATOM 277 OG1 THR A 21 78.377 0.270 -0.171 1.00 0.00 O ATOM 278 CG2 THR A 21 78.196 2.603 -0.763 1.00 0.00 C ATOM 0 H THR A 21 79.743 -0.925 -1.349 1.00 0.00 H new ATOM 0 HA THR A 21 78.802 1.284 -2.818 1.00 0.00 H new ATOM 0 HB THR A 21 79.959 1.583 -0.061 1.00 0.00 H new ATOM 0 HG1 THR A 21 77.429 0.361 -0.402 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.848 2.849 0.240 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.754 3.446 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.339 2.392 -1.403 1.00 0.00 H new ATOM 286 N LEU A 22 81.977 1.343 -1.900 1.00 0.00 N ATOM 287 CA LEU A 22 83.262 1.982 -2.149 1.00 0.00 C ATOM 288 C LEU A 22 83.548 1.984 -3.645 1.00 0.00 C ATOM 289 O LEU A 22 83.879 3.016 -4.228 1.00 0.00 O ATOM 290 CB LEU A 22 84.364 1.207 -1.432 1.00 0.00 C ATOM 291 CG LEU A 22 84.486 1.685 0.015 1.00 0.00 C ATOM 292 CD1 LEU A 22 83.198 1.374 0.778 1.00 0.00 C ATOM 293 CD2 LEU A 22 85.655 0.960 0.687 1.00 0.00 C ATOM 0 H LEU A 22 82.022 0.522 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 22 83.232 3.007 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 22 84.142 0.140 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 22 85.313 1.345 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 22 84.658 2.761 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.293 1.718 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 22 82.361 1.884 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 22 83.021 0.299 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 22 85.747 1.297 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 22 85.474 -0.115 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 22 86.577 1.181 0.150 1.00 0.00 H new ATOM 305 N ARG A 23 83.397 0.813 -4.258 1.00 0.00 N ATOM 306 CA ARG A 23 83.620 0.670 -5.691 1.00 0.00 C ATOM 307 C ARG A 23 82.838 1.749 -6.428 1.00 0.00 C ATOM 308 O ARG A 23 83.277 2.274 -7.455 1.00 0.00 O ATOM 309 CB ARG A 23 83.115 -0.711 -6.158 1.00 0.00 C ATOM 310 CG ARG A 23 84.273 -1.704 -6.442 1.00 0.00 C ATOM 311 CD ARG A 23 84.392 -2.799 -5.352 1.00 0.00 C ATOM 312 NE ARG A 23 84.113 -4.116 -5.920 1.00 0.00 N ATOM 313 CZ ARG A 23 82.999 -4.360 -6.607 1.00 0.00 C ATOM 314 NH1 ARG A 23 82.120 -3.415 -6.791 1.00 0.00 N ATOM 315 NH2 ARG A 23 82.786 -5.550 -7.097 1.00 0.00 N ATOM 0 H ARG A 23 83.122 -0.048 -3.785 1.00 0.00 H new ATOM 0 HA ARG A 23 84.685 0.765 -5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 23 82.460 -1.131 -5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 23 82.516 -0.589 -7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 23 84.114 -2.176 -7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 23 85.212 -1.154 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 23 85.394 -2.786 -4.922 1.00 0.00 H new ATOM 0 HD3 ARG A 23 83.695 -2.591 -4.541 1.00 0.00 H new ATOM 0 HE ARG A 23 84.789 -4.868 -5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 23 82.284 -2.484 -6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 23 81.268 -3.607 -7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 23 83.472 -6.291 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 23 81.933 -5.740 -7.624 1.00 0.00 H new ATOM 329 N GLU A 24 81.671 2.068 -5.889 1.00 0.00 N ATOM 330 CA GLU A 24 80.811 3.076 -6.492 1.00 0.00 C ATOM 331 C GLU A 24 81.417 4.460 -6.350 1.00 0.00 C ATOM 332 O GLU A 24 81.301 5.294 -7.240 1.00 0.00 O ATOM 333 CB GLU A 24 79.431 3.050 -5.831 1.00 0.00 C ATOM 334 CG GLU A 24 78.394 2.539 -6.831 1.00 0.00 C ATOM 335 CD GLU A 24 77.022 2.475 -6.169 1.00 0.00 C ATOM 336 OE1 GLU A 24 76.979 2.401 -4.952 1.00 0.00 O ATOM 337 OE2 GLU A 24 76.037 2.502 -6.887 1.00 0.00 O ATOM 0 H GLU A 24 81.298 1.646 -5.039 1.00 0.00 H new ATOM 0 HA GLU A 24 80.711 2.847 -7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.450 2.407 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.161 4.049 -5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 24 78.358 3.197 -7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 24 78.680 1.551 -7.192 1.00 0.00 H new ATOM 344 N ALA A 25 82.053 4.690 -5.224 1.00 0.00 N ATOM 345 CA ALA A 25 82.671 5.985 -4.952 1.00 0.00 C ATOM 346 C ALA A 25 83.816 6.275 -5.920 1.00 0.00 C ATOM 347 O ALA A 25 84.004 7.418 -6.341 1.00 0.00 O ATOM 348 CB ALA A 25 83.198 6.019 -3.517 1.00 0.00 C ATOM 0 H ALA A 25 82.161 4.004 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 25 81.908 6.752 -5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 25 83.658 6.988 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 25 82.373 5.862 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 25 83.940 5.232 -3.383 1.00 0.00 H new ATOM 354 N ILE A 26 84.587 5.249 -6.263 1.00 0.00 N ATOM 355 CA ILE A 26 85.715 5.435 -7.172 1.00 0.00 C ATOM 356 C ILE A 26 85.243 5.589 -8.611 1.00 0.00 C ATOM 357 O ILE A 26 85.908 6.235 -9.419 1.00 0.00 O ATOM 358 CB ILE A 26 86.680 4.248 -7.081 1.00 0.00 C ATOM 359 CG1 ILE A 26 88.122 4.746 -7.264 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.351 3.227 -8.174 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.984 3.639 -7.878 1.00 0.00 C ATOM 0 H ILE A 26 84.456 4.293 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 26 86.231 6.347 -6.872 1.00 0.00 H new ATOM 0 HB ILE A 26 86.577 3.775 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 26 88.133 5.626 -7.907 1.00 0.00 H new ATOM 0 HG13 ILE A 26 88.536 5.049 -6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 26 87.040 2.385 -8.105 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.329 2.871 -8.044 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.450 3.697 -9.153 1.00 0.00 H new ATOM 0 HD11 ILE A 26 90.005 4.000 -8.004 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.985 2.771 -7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.576 3.357 -8.849 1.00 0.00 H new ATOM 373 N ASP A 27 84.102 4.989 -8.936 1.00 0.00 N ATOM 374 CA ASP A 27 83.591 5.080 -10.300 1.00 0.00 C ATOM 375 C ASP A 27 82.106 4.749 -10.370 1.00 0.00 C ATOM 376 O ASP A 27 81.696 3.876 -11.132 1.00 0.00 O ATOM 377 CB ASP A 27 84.367 4.123 -11.205 1.00 0.00 C ATOM 378 CG ASP A 27 84.114 4.468 -12.668 1.00 0.00 C ATOM 379 OD1 ASP A 27 83.092 4.048 -13.187 1.00 0.00 O ATOM 380 OD2 ASP A 27 84.944 5.148 -13.249 1.00 0.00 O ATOM 0 H ASP A 27 83.526 4.447 -8.292 1.00 0.00 H new ATOM 0 HA ASP A 27 83.724 6.108 -10.637 1.00 0.00 H new ATOM 0 HB2 ASP A 27 85.433 4.187 -10.987 1.00 0.00 H new ATOM 0 HB3 ASP A 27 84.063 3.095 -11.007 1.00 0.00 H new ATOM 385 N LEU A 28 81.303 5.456 -9.586 1.00 0.00 N ATOM 386 CA LEU A 28 79.865 5.218 -9.596 1.00 0.00 C ATOM 387 C LEU A 28 79.311 5.431 -11.004 1.00 0.00 C ATOM 388 O LEU A 28 79.890 6.171 -11.798 1.00 0.00 O ATOM 389 CB LEU A 28 79.146 6.164 -8.629 1.00 0.00 C ATOM 390 CG LEU A 28 79.894 7.496 -8.525 1.00 0.00 C ATOM 391 CD1 LEU A 28 80.093 8.095 -9.919 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.067 8.460 -7.677 1.00 0.00 C ATOM 0 H LEU A 28 81.615 6.186 -8.946 1.00 0.00 H new ATOM 0 HA LEU A 28 79.692 4.189 -9.279 1.00 0.00 H new ATOM 0 HB2 LEU A 28 78.127 6.339 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 28 79.076 5.702 -7.644 1.00 0.00 H new ATOM 0 HG LEU A 28 80.869 7.331 -8.066 1.00 0.00 H new ATOM 0 HD11 LEU A 28 80.626 9.042 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 28 80.673 7.405 -10.532 1.00 0.00 H new ATOM 0 HD13 LEU A 28 79.122 8.265 -10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 28 79.590 9.413 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.096 8.617 -8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 28 78.924 8.038 -6.682 1.00 0.00 H new ATOM 404 N PRO A 29 78.206 4.813 -11.323 1.00 0.00 N ATOM 405 CA PRO A 29 77.571 4.967 -12.663 1.00 0.00 C ATOM 406 C PRO A 29 77.276 6.432 -12.965 1.00 0.00 C ATOM 407 O PRO A 29 77.036 7.225 -12.054 1.00 0.00 O ATOM 408 CB PRO A 29 76.275 4.149 -12.566 1.00 0.00 C ATOM 409 CG PRO A 29 76.066 3.879 -11.110 1.00 0.00 C ATOM 410 CD PRO A 29 77.446 3.904 -10.461 1.00 0.00 C ATOM 0 HA PRO A 29 78.217 4.624 -13.471 1.00 0.00 H new ATOM 0 HB2 PRO A 29 75.433 4.700 -12.985 1.00 0.00 H new ATOM 0 HB3 PRO A 29 76.358 3.218 -13.127 1.00 0.00 H new ATOM 0 HG2 PRO A 29 75.415 4.632 -10.666 1.00 0.00 H new ATOM 0 HG3 PRO A 29 75.585 2.913 -10.960 1.00 0.00 H new ATOM 0 HD2 PRO A 29 77.401 4.266 -9.434 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.894 2.911 -10.429 1.00 0.00 H new ATOM 418 N GLN A 30 77.303 6.792 -14.243 1.00 0.00 N ATOM 419 CA GLN A 30 77.045 8.171 -14.640 1.00 0.00 C ATOM 420 C GLN A 30 75.670 8.630 -14.161 1.00 0.00 C ATOM 421 O GLN A 30 75.255 9.757 -14.432 1.00 0.00 O ATOM 422 CB GLN A 30 77.135 8.302 -16.159 1.00 0.00 C ATOM 423 CG GLN A 30 78.518 8.833 -16.532 1.00 0.00 C ATOM 424 CD GLN A 30 78.635 8.964 -18.047 1.00 0.00 C ATOM 425 OE1 GLN A 30 78.806 7.964 -18.745 1.00 0.00 O ATOM 426 NE2 GLN A 30 78.552 10.143 -18.598 1.00 0.00 N ATOM 0 H GLN A 30 77.499 6.155 -15.015 1.00 0.00 H new ATOM 0 HA GLN A 30 77.800 8.806 -14.176 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.963 7.335 -16.631 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.361 8.977 -16.525 1.00 0.00 H new ATOM 0 HG2 GLN A 30 78.684 9.802 -16.061 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.289 8.160 -16.156 1.00 0.00 H new ATOM 0 HE21 GLN A 30 78.410 10.969 -18.016 1.00 0.00 H new ATOM 0 HE22 GLN A 30 78.629 10.239 -19.611 1.00 0.00 H new ATOM 435 N ASP A 31 74.972 7.757 -13.444 1.00 0.00 N ATOM 436 CA ASP A 31 73.652 8.092 -12.929 1.00 0.00 C ATOM 437 C ASP A 31 73.759 8.646 -11.512 1.00 0.00 C ATOM 438 O ASP A 31 72.764 8.735 -10.793 1.00 0.00 O ATOM 439 CB ASP A 31 72.762 6.847 -12.927 1.00 0.00 C ATOM 440 CG ASP A 31 72.163 6.633 -14.314 1.00 0.00 C ATOM 441 OD1 ASP A 31 72.880 6.816 -15.283 1.00 0.00 O ATOM 442 OD2 ASP A 31 70.995 6.288 -14.386 1.00 0.00 O ATOM 0 H ASP A 31 75.296 6.819 -13.208 1.00 0.00 H new ATOM 0 HA ASP A 31 73.210 8.852 -13.573 1.00 0.00 H new ATOM 0 HB2 ASP A 31 73.345 5.974 -12.635 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.966 6.960 -12.191 1.00 0.00 H new ATOM 447 N ALA A 32 74.975 9.016 -11.115 1.00 0.00 N ATOM 448 CA ALA A 32 75.199 9.559 -9.782 1.00 0.00 C ATOM 449 C ALA A 32 76.441 10.446 -9.771 1.00 0.00 C ATOM 450 O ALA A 32 77.477 10.063 -9.230 1.00 0.00 O ATOM 451 CB ALA A 32 75.387 8.416 -8.781 1.00 0.00 C ATOM 0 H ALA A 32 75.812 8.950 -11.694 1.00 0.00 H new ATOM 0 HA ALA A 32 74.331 10.156 -9.500 1.00 0.00 H new ATOM 0 HB1 ALA A 32 75.554 8.828 -7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 32 74.494 7.791 -8.770 1.00 0.00 H new ATOM 0 HB3 ALA A 32 76.247 7.814 -9.074 1.00 0.00 H new ATOM 457 N PRO A 33 76.365 11.618 -10.351 1.00 0.00 N ATOM 458 CA PRO A 33 77.524 12.553 -10.391 1.00 0.00 C ATOM 459 C PRO A 33 77.859 13.094 -9.003 1.00 0.00 C ATOM 460 O PRO A 33 78.423 14.180 -8.865 1.00 0.00 O ATOM 461 CB PRO A 33 77.073 13.676 -11.329 1.00 0.00 C ATOM 462 CG PRO A 33 75.583 13.614 -11.364 1.00 0.00 C ATOM 463 CD PRO A 33 75.180 12.178 -11.022 1.00 0.00 C ATOM 0 HA PRO A 33 78.434 12.062 -10.736 1.00 0.00 H new ATOM 0 HB2 PRO A 33 77.414 14.646 -10.967 1.00 0.00 H new ATOM 0 HB3 PRO A 33 77.492 13.542 -12.326 1.00 0.00 H new ATOM 0 HG2 PRO A 33 75.152 14.315 -10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 33 75.210 13.894 -12.349 1.00 0.00 H new ATOM 0 HD2 PRO A 33 74.306 12.154 -10.371 1.00 0.00 H new ATOM 0 HD3 PRO A 33 74.926 11.612 -11.918 1.00 0.00 H new ATOM 471 N ASN A 34 77.506 12.321 -7.980 1.00 0.00 N ATOM 472 CA ASN A 34 77.767 12.714 -6.602 1.00 0.00 C ATOM 473 C ASN A 34 78.860 11.831 -6.002 1.00 0.00 C ATOM 474 O ASN A 34 78.699 11.260 -4.923 1.00 0.00 O ATOM 475 CB ASN A 34 76.478 12.598 -5.778 1.00 0.00 C ATOM 476 CG ASN A 34 75.274 12.521 -6.710 1.00 0.00 C ATOM 477 OD1 ASN A 34 74.403 13.391 -6.675 1.00 0.00 O ATOM 478 ND2 ASN A 34 75.172 11.526 -7.549 1.00 0.00 N ATOM 0 H ASN A 34 77.039 11.420 -8.081 1.00 0.00 H new ATOM 0 HA ASN A 34 78.108 13.749 -6.584 1.00 0.00 H new ATOM 0 HB2 ASN A 34 76.518 11.710 -5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 34 76.381 13.457 -5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 34 74.370 11.468 -8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 34 75.894 10.806 -7.577 1.00 0.00 H new ATOM 485 N ARG A 35 79.977 11.726 -6.711 1.00 0.00 N ATOM 486 CA ARG A 35 81.093 10.913 -6.241 1.00 0.00 C ATOM 487 C ARG A 35 81.477 11.317 -4.822 1.00 0.00 C ATOM 488 O ARG A 35 81.896 10.482 -4.020 1.00 0.00 O ATOM 489 CB ARG A 35 82.307 11.063 -7.169 1.00 0.00 C ATOM 490 CG ARG A 35 82.116 12.254 -8.116 1.00 0.00 C ATOM 491 CD ARG A 35 81.267 11.830 -9.321 1.00 0.00 C ATOM 492 NE ARG A 35 80.822 13.006 -10.060 1.00 0.00 N ATOM 493 CZ ARG A 35 81.670 13.715 -10.797 1.00 0.00 C ATOM 494 NH1 ARG A 35 82.927 13.361 -10.867 1.00 0.00 N ATOM 495 NH2 ARG A 35 81.251 14.763 -11.450 1.00 0.00 N ATOM 0 H ARG A 35 80.134 12.189 -7.606 1.00 0.00 H new ATOM 0 HA ARG A 35 80.778 9.869 -6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.210 11.204 -6.576 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.445 10.150 -7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 35 81.631 13.075 -7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 35 83.085 12.621 -8.454 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.848 11.179 -9.974 1.00 0.00 H new ATOM 0 HD3 ARG A 35 80.405 11.255 -8.984 1.00 0.00 H new ATOM 0 HE ARG A 35 79.843 13.289 -10.010 1.00 0.00 H new ATOM 0 HH11 ARG A 35 83.255 12.541 -10.356 1.00 0.00 H new ATOM 0 HH12 ARG A 35 83.579 13.904 -11.432 1.00 0.00 H new ATOM 0 HH21 ARG A 35 80.271 15.040 -11.395 1.00 0.00 H new ATOM 0 HH22 ARG A 35 81.904 15.306 -12.015 1.00 0.00 H new ATOM 509 N GLN A 36 81.320 12.600 -4.516 1.00 0.00 N ATOM 510 CA GLN A 36 81.641 13.102 -3.187 1.00 0.00 C ATOM 511 C GLN A 36 80.544 12.715 -2.198 1.00 0.00 C ATOM 512 O GLN A 36 80.819 12.193 -1.117 1.00 0.00 O ATOM 513 CB GLN A 36 81.788 14.626 -3.227 1.00 0.00 C ATOM 514 CG GLN A 36 82.988 14.999 -4.102 1.00 0.00 C ATOM 515 CD GLN A 36 83.166 16.514 -4.124 1.00 0.00 C ATOM 516 OE1 GLN A 36 82.958 17.178 -3.109 1.00 0.00 O ATOM 517 NE2 GLN A 36 83.543 17.101 -5.226 1.00 0.00 N ATOM 0 H GLN A 36 80.975 13.306 -5.166 1.00 0.00 H new ATOM 0 HA GLN A 36 82.582 12.659 -2.862 1.00 0.00 H new ATOM 0 HB2 GLN A 36 80.880 15.080 -3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 36 81.924 15.016 -2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 36 83.891 14.524 -3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 36 82.839 14.627 -5.116 1.00 0.00 H new ATOM 0 HE21 GLN A 36 83.715 16.548 -6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 36 83.666 18.113 -5.248 1.00 0.00 H new ATOM 526 N GLU A 37 79.296 12.971 -2.582 1.00 0.00 N ATOM 527 CA GLU A 37 78.161 12.640 -1.728 1.00 0.00 C ATOM 528 C GLU A 37 78.057 11.132 -1.541 1.00 0.00 C ATOM 529 O GLU A 37 78.046 10.637 -0.413 1.00 0.00 O ATOM 530 CB GLU A 37 76.868 13.171 -2.353 1.00 0.00 C ATOM 531 CG GLU A 37 75.904 13.601 -1.246 1.00 0.00 C ATOM 532 CD GLU A 37 74.466 13.500 -1.744 1.00 0.00 C ATOM 533 OE1 GLU A 37 74.279 13.472 -2.949 1.00 0.00 O ATOM 534 OE2 GLU A 37 73.574 13.451 -0.913 1.00 0.00 O ATOM 0 H GLU A 37 79.047 13.403 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 37 78.311 13.106 -0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 37 77.088 14.015 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.408 12.401 -2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.039 12.970 -0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.121 14.624 -0.939 1.00 0.00 H new ATOM 541 N VAL A 38 77.991 10.403 -2.649 1.00 0.00 N ATOM 542 CA VAL A 38 77.900 8.952 -2.578 1.00 0.00 C ATOM 543 C VAL A 38 78.983 8.422 -1.650 1.00 0.00 C ATOM 544 O VAL A 38 78.736 7.541 -0.828 1.00 0.00 O ATOM 545 CB VAL A 38 78.071 8.344 -3.970 1.00 0.00 C ATOM 546 CG1 VAL A 38 78.698 6.952 -3.847 1.00 0.00 C ATOM 547 CG2 VAL A 38 76.704 8.229 -4.645 1.00 0.00 C ATOM 0 H VAL A 38 77.999 10.787 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 38 76.919 8.675 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 38 78.721 8.983 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 38 78.820 6.519 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 38 79.672 7.033 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 38 78.049 6.312 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 38 76.824 7.796 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 38 76.055 7.590 -4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 38 76.257 9.219 -4.733 1.00 0.00 H new ATOM 557 N GLN A 39 80.180 8.982 -1.784 1.00 0.00 N ATOM 558 CA GLN A 39 81.296 8.572 -0.945 1.00 0.00 C ATOM 559 C GLN A 39 80.938 8.767 0.525 1.00 0.00 C ATOM 560 O GLN A 39 81.272 7.938 1.370 1.00 0.00 O ATOM 561 CB GLN A 39 82.542 9.391 -1.285 1.00 0.00 C ATOM 562 CG GLN A 39 83.642 9.092 -0.265 1.00 0.00 C ATOM 563 CD GLN A 39 83.440 9.946 0.982 1.00 0.00 C ATOM 564 OE1 GLN A 39 83.178 11.144 0.880 1.00 0.00 O ATOM 565 NE2 GLN A 39 83.548 9.398 2.162 1.00 0.00 N ATOM 0 H GLN A 39 80.400 9.714 -2.459 1.00 0.00 H new ATOM 0 HA GLN A 39 81.504 7.518 -1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.887 9.148 -2.290 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.304 10.455 -1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 39 83.626 8.035 0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 39 84.620 9.296 -0.701 1.00 0.00 H new ATOM 0 HE21 GLN A 39 83.765 8.405 2.245 1.00 0.00 H new ATOM 0 HE22 GLN A 39 83.415 9.963 3.001 1.00 0.00 H new ATOM 574 N ASP A 40 80.242 9.865 0.821 1.00 0.00 N ATOM 575 CA ASP A 40 79.834 10.143 2.194 1.00 0.00 C ATOM 576 C ASP A 40 79.011 8.979 2.733 1.00 0.00 C ATOM 577 O ASP A 40 79.291 8.454 3.813 1.00 0.00 O ATOM 578 CB ASP A 40 79.005 11.428 2.247 1.00 0.00 C ATOM 579 CG ASP A 40 78.944 11.954 3.678 1.00 0.00 C ATOM 580 OD1 ASP A 40 79.990 12.284 4.212 1.00 0.00 O ATOM 581 OD2 ASP A 40 77.852 12.018 4.219 1.00 0.00 O ATOM 0 H ASP A 40 79.953 10.566 0.138 1.00 0.00 H new ATOM 0 HA ASP A 40 80.725 10.270 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 40 79.445 12.181 1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 40 77.997 11.235 1.879 1.00 0.00 H new ATOM 586 N THR A 41 78.004 8.570 1.967 1.00 0.00 N ATOM 587 CA THR A 41 77.159 7.456 2.375 1.00 0.00 C ATOM 588 C THR A 41 78.016 6.216 2.606 1.00 0.00 C ATOM 589 O THR A 41 77.794 5.461 3.553 1.00 0.00 O ATOM 590 CB THR A 41 76.112 7.166 1.296 1.00 0.00 C ATOM 591 OG1 THR A 41 75.323 8.327 1.080 1.00 0.00 O ATOM 592 CG2 THR A 41 75.214 6.014 1.748 1.00 0.00 C ATOM 0 H THR A 41 77.756 8.989 1.071 1.00 0.00 H new ATOM 0 HA THR A 41 76.649 7.720 3.302 1.00 0.00 H new ATOM 0 HB THR A 41 76.614 6.889 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.653 8.143 0.388 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.470 5.809 0.978 1.00 0.00 H new ATOM 0 HG22 THR A 41 75.820 5.123 1.913 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.711 6.287 2.676 1.00 0.00 H new ATOM 600 N ALA A 42 79.007 6.024 1.740 1.00 0.00 N ATOM 601 CA ALA A 42 79.904 4.884 1.865 1.00 0.00 C ATOM 602 C ALA A 42 80.642 4.952 3.196 1.00 0.00 C ATOM 603 O ALA A 42 80.841 3.935 3.860 1.00 0.00 O ATOM 604 CB ALA A 42 80.915 4.880 0.717 1.00 0.00 C ATOM 0 H ALA A 42 79.207 6.639 0.951 1.00 0.00 H new ATOM 0 HA ALA A 42 79.316 3.967 1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.580 4.023 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.386 4.815 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.500 5.799 0.744 1.00 0.00 H new ATOM 610 N ARG A 43 81.033 6.162 3.584 1.00 0.00 N ATOM 611 CA ARG A 43 81.737 6.357 4.843 1.00 0.00 C ATOM 612 C ARG A 43 80.861 5.895 6.001 1.00 0.00 C ATOM 613 O ARG A 43 81.352 5.326 6.977 1.00 0.00 O ATOM 614 CB ARG A 43 82.098 7.833 5.025 1.00 0.00 C ATOM 615 CG ARG A 43 83.463 7.942 5.709 1.00 0.00 C ATOM 616 CD ARG A 43 83.764 9.409 6.020 1.00 0.00 C ATOM 617 NE ARG A 43 83.606 9.666 7.448 1.00 0.00 N ATOM 618 CZ ARG A 43 83.513 10.907 7.918 1.00 0.00 C ATOM 619 NH1 ARG A 43 83.561 11.920 7.098 1.00 0.00 N ATOM 620 NH2 ARG A 43 83.372 11.111 9.199 1.00 0.00 N ATOM 0 H ARG A 43 80.875 7.015 3.048 1.00 0.00 H new ATOM 0 HA ARG A 43 82.655 5.769 4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 43 82.123 8.335 4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 43 81.338 8.334 5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 43 83.469 7.356 6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 43 84.239 7.530 5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 43 84.780 9.653 5.710 1.00 0.00 H new ATOM 0 HD3 ARG A 43 83.094 10.053 5.451 1.00 0.00 H new ATOM 0 HE ARG A 43 83.566 8.880 8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 43 83.670 11.761 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 43 83.490 12.872 7.458 1.00 0.00 H new ATOM 0 HH21 ARG A 43 83.333 10.319 9.840 1.00 0.00 H new ATOM 0 HH22 ARG A 43 83.301 12.063 9.559 1.00 0.00 H new ATOM 634 N GLY A 44 79.559 6.133 5.880 1.00 0.00 N ATOM 635 CA GLY A 44 78.623 5.723 6.920 1.00 0.00 C ATOM 636 C GLY A 44 78.658 4.208 7.086 1.00 0.00 C ATOM 637 O GLY A 44 78.825 3.697 8.195 1.00 0.00 O ATOM 0 H GLY A 44 79.132 6.602 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 44 78.880 6.206 7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 44 77.615 6.045 6.661 1.00 0.00 H new ATOM 641 N GLN A 45 78.512 3.498 5.973 1.00 0.00 N ATOM 642 CA GLN A 45 78.542 2.039 5.996 1.00 0.00 C ATOM 643 C GLN A 45 79.873 1.547 6.557 1.00 0.00 C ATOM 644 O GLN A 45 79.927 0.517 7.225 1.00 0.00 O ATOM 645 CB GLN A 45 78.351 1.489 4.581 1.00 0.00 C ATOM 646 CG GLN A 45 77.224 2.254 3.885 1.00 0.00 C ATOM 647 CD GLN A 45 76.344 1.283 3.104 1.00 0.00 C ATOM 648 OE1 GLN A 45 75.149 1.171 3.376 1.00 0.00 O ATOM 649 NE2 GLN A 45 76.866 0.569 2.145 1.00 0.00 N ATOM 0 H GLN A 45 78.372 3.905 5.048 1.00 0.00 H new ATOM 0 HA GLN A 45 77.732 1.685 6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 45 79.276 1.587 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 45 78.113 0.426 4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 45 76.625 2.788 4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 45 77.642 3.002 3.211 1.00 0.00 H new ATOM 0 HE21 GLN A 45 77.857 0.663 1.921 1.00 0.00 H new ATOM 0 HE22 GLN A 45 76.284 -0.083 1.620 1.00 0.00 H new ATOM 658 N ILE A 46 80.941 2.289 6.279 1.00 0.00 N ATOM 659 CA ILE A 46 82.266 1.912 6.766 1.00 0.00 C ATOM 660 C ILE A 46 82.289 1.898 8.288 1.00 0.00 C ATOM 661 O ILE A 46 82.693 0.912 8.900 1.00 0.00 O ATOM 662 CB ILE A 46 83.314 2.898 6.239 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.906 2.359 4.935 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.433 3.070 7.270 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.465 3.519 4.108 1.00 0.00 C ATOM 0 H ILE A 46 80.918 3.145 5.726 1.00 0.00 H new ATOM 0 HA ILE A 46 82.499 0.911 6.404 1.00 0.00 H new ATOM 0 HB ILE A 46 82.840 3.863 6.059 1.00 0.00 H new ATOM 0 HG12 ILE A 46 84.696 1.640 5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 46 83.140 1.830 4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 46 85.174 3.772 6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 46 84.015 3.454 8.200 1.00 0.00 H new ATOM 0 HG23 ILE A 46 84.908 2.107 7.456 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.886 3.134 3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 46 83.664 4.222 3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 46 85.243 4.029 4.676 1.00 0.00 H new ATOM 677 N ASN A 47 81.845 2.990 8.897 1.00 0.00 N ATOM 678 CA ASN A 47 81.816 3.073 10.351 1.00 0.00 C ATOM 679 C ASN A 47 80.895 1.999 10.910 1.00 0.00 C ATOM 680 O ASN A 47 81.081 1.520 12.027 1.00 0.00 O ATOM 681 CB ASN A 47 81.323 4.453 10.787 1.00 0.00 C ATOM 682 CG ASN A 47 82.475 5.260 11.376 1.00 0.00 C ATOM 683 OD1 ASN A 47 82.276 6.040 12.307 1.00 0.00 O ATOM 684 ND2 ASN A 47 83.677 5.115 10.886 1.00 0.00 N ATOM 0 H ASN A 47 81.504 3.821 8.414 1.00 0.00 H new ATOM 0 HA ASN A 47 82.824 2.918 10.735 1.00 0.00 H new ATOM 0 HB2 ASN A 47 80.897 4.982 9.934 1.00 0.00 H new ATOM 0 HB3 ASN A 47 80.528 4.347 11.525 1.00 0.00 H new ATOM 0 HD21 ASN A 47 84.454 5.649 11.275 1.00 0.00 H new ATOM 0 HD22 ASN A 47 83.839 4.468 10.114 1.00 0.00 H new ATOM 691 N ASP A 48 79.895 1.634 10.119 1.00 0.00 N ATOM 692 CA ASP A 48 78.934 0.621 10.530 1.00 0.00 C ATOM 693 C ASP A 48 79.546 -0.774 10.506 1.00 0.00 C ATOM 694 O ASP A 48 79.419 -1.539 11.460 1.00 0.00 O ATOM 695 CB ASP A 48 77.732 0.653 9.589 1.00 0.00 C ATOM 696 CG ASP A 48 77.235 2.084 9.415 1.00 0.00 C ATOM 697 OD1 ASP A 48 77.738 2.954 10.106 1.00 0.00 O ATOM 698 OD2 ASP A 48 76.356 2.291 8.593 1.00 0.00 O ATOM 0 H ASP A 48 79.729 2.024 9.191 1.00 0.00 H new ATOM 0 HA ASP A 48 78.627 0.843 11.552 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.008 0.236 8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 48 76.932 0.029 9.988 1.00 0.00 H new ATOM 703 N TYR A 49 80.193 -1.101 9.400 1.00 0.00 N ATOM 704 CA TYR A 49 80.807 -2.411 9.240 1.00 0.00 C ATOM 705 C TYR A 49 82.056 -2.535 10.107 1.00 0.00 C ATOM 706 O TYR A 49 82.192 -3.476 10.889 1.00 0.00 O ATOM 707 CB TYR A 49 81.174 -2.618 7.769 1.00 0.00 C ATOM 708 CG TYR A 49 81.844 -3.957 7.585 1.00 0.00 C ATOM 709 CD1 TYR A 49 81.168 -5.135 7.926 1.00 0.00 C ATOM 710 CD2 TYR A 49 83.144 -4.022 7.066 1.00 0.00 C ATOM 711 CE1 TYR A 49 81.792 -6.376 7.751 1.00 0.00 C ATOM 712 CE2 TYR A 49 83.766 -5.263 6.890 1.00 0.00 C ATOM 713 CZ TYR A 49 83.092 -6.440 7.233 1.00 0.00 C ATOM 714 OH TYR A 49 83.705 -7.662 7.060 1.00 0.00 O ATOM 0 H TYR A 49 80.307 -0.479 8.600 1.00 0.00 H new ATOM 0 HA TYR A 49 80.096 -3.174 9.556 1.00 0.00 H new ATOM 0 HB2 TYR A 49 80.278 -2.563 7.151 1.00 0.00 H new ATOM 0 HB3 TYR A 49 81.839 -1.821 7.437 1.00 0.00 H new ATOM 0 HD1 TYR A 49 80.165 -5.086 8.324 1.00 0.00 H new ATOM 0 HD2 TYR A 49 83.666 -3.114 6.802 1.00 0.00 H new ATOM 0 HE1 TYR A 49 81.271 -7.284 8.015 1.00 0.00 H new ATOM 0 HE2 TYR A 49 84.768 -5.312 6.489 1.00 0.00 H new ATOM 0 HH TYR A 49 84.603 -7.528 6.690 1.00 0.00 H new ATOM 724 N ILE A 50 82.968 -1.587 9.949 1.00 0.00 N ATOM 725 CA ILE A 50 84.214 -1.594 10.704 1.00 0.00 C ATOM 726 C ILE A 50 84.011 -1.174 12.159 1.00 0.00 C ATOM 727 O ILE A 50 84.739 -1.628 13.043 1.00 0.00 O ATOM 728 CB ILE A 50 85.222 -0.654 10.044 1.00 0.00 C ATOM 729 CG1 ILE A 50 85.598 -1.199 8.665 1.00 0.00 C ATOM 730 CG2 ILE A 50 86.477 -0.557 10.914 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.400 -0.145 7.902 1.00 0.00 C ATOM 0 H ILE A 50 82.869 -0.802 9.305 1.00 0.00 H new ATOM 0 HA ILE A 50 84.590 -2.617 10.702 1.00 0.00 H new ATOM 0 HB ILE A 50 84.779 0.336 9.936 1.00 0.00 H new ATOM 0 HG12 ILE A 50 86.184 -2.112 8.770 1.00 0.00 H new ATOM 0 HG13 ILE A 50 84.698 -1.461 8.108 1.00 0.00 H new ATOM 0 HG21 ILE A 50 87.196 0.114 10.443 1.00 0.00 H new ATOM 0 HG22 ILE A 50 86.209 -0.169 11.897 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.921 -1.546 11.023 1.00 0.00 H new ATOM 0 HD11 ILE A 50 86.668 -0.533 6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 50 85.798 0.756 7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 50 87.307 0.095 8.457 1.00 0.00 H new ATOM 743 N SER A 51 83.054 -0.281 12.405 1.00 0.00 N ATOM 744 CA SER A 51 82.829 0.206 13.768 1.00 0.00 C ATOM 745 C SER A 51 81.477 -0.236 14.341 1.00 0.00 C ATOM 746 O SER A 51 80.819 0.524 15.051 1.00 0.00 O ATOM 747 CB SER A 51 82.928 1.735 13.783 1.00 0.00 C ATOM 748 OG SER A 51 83.899 2.131 14.744 1.00 0.00 O ATOM 0 H SER A 51 82.434 0.114 11.698 1.00 0.00 H new ATOM 0 HA SER A 51 83.599 -0.232 14.403 1.00 0.00 H new ATOM 0 HB2 SER A 51 83.205 2.103 12.795 1.00 0.00 H new ATOM 0 HB3 SER A 51 81.959 2.172 14.026 1.00 0.00 H new ATOM 0 HG SER A 51 83.967 3.109 14.756 1.00 0.00 H new ATOM 754 N ARG A 52 81.072 -1.473 14.060 1.00 0.00 N ATOM 755 CA ARG A 52 79.807 -1.971 14.595 1.00 0.00 C ATOM 756 C ARG A 52 79.556 -3.412 14.156 1.00 0.00 C ATOM 757 O ARG A 52 79.062 -4.225 14.935 1.00 0.00 O ATOM 758 CB ARG A 52 78.662 -1.040 14.155 1.00 0.00 C ATOM 759 CG ARG A 52 77.460 -1.831 13.613 1.00 0.00 C ATOM 760 CD ARG A 52 76.876 -2.735 14.704 1.00 0.00 C ATOM 761 NE ARG A 52 77.625 -2.602 15.949 1.00 0.00 N ATOM 762 CZ ARG A 52 77.566 -3.543 16.886 1.00 0.00 C ATOM 763 NH1 ARG A 52 76.838 -4.609 16.696 1.00 0.00 N ATOM 764 NH2 ARG A 52 78.238 -3.400 17.996 1.00 0.00 N ATOM 0 H ARG A 52 81.587 -2.135 13.479 1.00 0.00 H new ATOM 0 HA ARG A 52 79.856 -1.973 15.684 1.00 0.00 H new ATOM 0 HB2 ARG A 52 78.344 -0.430 15.000 1.00 0.00 H new ATOM 0 HB3 ARG A 52 79.024 -0.357 13.387 1.00 0.00 H new ATOM 0 HG2 ARG A 52 76.695 -1.142 13.256 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.769 -2.434 12.760 1.00 0.00 H new ATOM 0 HD2 ARG A 52 75.831 -2.477 14.875 1.00 0.00 H new ATOM 0 HD3 ARG A 52 76.897 -3.773 14.372 1.00 0.00 H new ATOM 0 HE ARG A 52 78.202 -1.775 16.103 1.00 0.00 H new ATOM 0 HH11 ARG A 52 76.314 -4.721 15.828 1.00 0.00 H new ATOM 0 HH12 ARG A 52 76.793 -5.331 17.415 1.00 0.00 H new ATOM 0 HH21 ARG A 52 78.808 -2.567 18.144 1.00 0.00 H new ATOM 0 HH22 ARG A 52 78.193 -4.121 18.716 1.00 0.00 H new ATOM 778 N TYR A 53 79.906 -3.728 12.915 1.00 0.00 N ATOM 779 CA TYR A 53 79.707 -5.080 12.407 1.00 0.00 C ATOM 780 C TYR A 53 80.955 -5.568 11.673 1.00 0.00 C ATOM 781 O TYR A 53 81.019 -5.550 10.444 1.00 0.00 O ATOM 782 CB TYR A 53 78.491 -5.118 11.477 1.00 0.00 C ATOM 783 CG TYR A 53 77.382 -5.899 12.144 1.00 0.00 C ATOM 784 CD1 TYR A 53 77.564 -7.256 12.441 1.00 0.00 C ATOM 785 CD2 TYR A 53 76.175 -5.269 12.468 1.00 0.00 C ATOM 786 CE1 TYR A 53 76.539 -7.980 13.062 1.00 0.00 C ATOM 787 CE2 TYR A 53 75.152 -5.992 13.090 1.00 0.00 C ATOM 788 CZ TYR A 53 75.333 -7.349 13.386 1.00 0.00 C ATOM 789 OH TYR A 53 74.323 -8.063 13.999 1.00 0.00 O ATOM 0 H TYR A 53 80.323 -3.077 12.250 1.00 0.00 H new ATOM 0 HA TYR A 53 79.525 -5.746 13.251 1.00 0.00 H new ATOM 0 HB2 TYR A 53 78.156 -4.105 11.254 1.00 0.00 H new ATOM 0 HB3 TYR A 53 78.758 -5.581 10.527 1.00 0.00 H new ATOM 0 HD1 TYR A 53 78.495 -7.744 12.191 1.00 0.00 H new ATOM 0 HD2 TYR A 53 76.033 -4.223 12.237 1.00 0.00 H new ATOM 0 HE1 TYR A 53 76.679 -9.026 13.291 1.00 0.00 H new ATOM 0 HE2 TYR A 53 74.222 -5.504 13.342 1.00 0.00 H new ATOM 0 HH TYR A 53 73.555 -7.475 14.155 1.00 0.00 H new ATOM 799 N ARG A 54 81.946 -6.003 12.445 1.00 0.00 N ATOM 800 CA ARG A 54 83.194 -6.496 11.871 1.00 0.00 C ATOM 801 C ARG A 54 83.549 -7.863 12.452 1.00 0.00 C ATOM 802 O ARG A 54 83.440 -8.884 11.772 1.00 0.00 O ATOM 803 CB ARG A 54 84.326 -5.510 12.165 1.00 0.00 C ATOM 804 CG ARG A 54 85.633 -6.033 11.561 1.00 0.00 C ATOM 805 CD ARG A 54 86.628 -6.346 12.683 1.00 0.00 C ATOM 806 NE ARG A 54 87.937 -6.662 12.122 1.00 0.00 N ATOM 807 CZ ARG A 54 88.173 -7.836 11.545 1.00 0.00 C ATOM 808 NH1 ARG A 54 87.225 -8.730 11.474 1.00 0.00 N ATOM 809 NH2 ARG A 54 89.352 -8.094 11.051 1.00 0.00 N ATOM 0 H ARG A 54 81.910 -6.024 13.464 1.00 0.00 H new ATOM 0 HA ARG A 54 83.063 -6.593 10.793 1.00 0.00 H new ATOM 0 HB2 ARG A 54 84.087 -4.532 11.748 1.00 0.00 H new ATOM 0 HB3 ARG A 54 84.438 -5.379 13.241 1.00 0.00 H new ATOM 0 HG2 ARG A 54 85.440 -6.929 10.972 1.00 0.00 H new ATOM 0 HG3 ARG A 54 86.055 -5.291 10.883 1.00 0.00 H new ATOM 0 HD2 ARG A 54 86.709 -5.492 13.356 1.00 0.00 H new ATOM 0 HD3 ARG A 54 86.266 -7.186 13.276 1.00 0.00 H new ATOM 0 HE ARG A 54 88.684 -5.970 12.173 1.00 0.00 H new ATOM 0 HH11 ARG A 54 86.303 -8.528 11.861 1.00 0.00 H new ATOM 0 HH12 ARG A 54 87.406 -9.631 11.031 1.00 0.00 H new ATOM 0 HH21 ARG A 54 90.093 -7.395 11.107 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.533 -8.995 10.608 1.00 0.00 H new ATOM 823 N ARG A 55 83.976 -7.874 13.711 1.00 0.00 N ATOM 824 CA ARG A 55 84.348 -9.121 14.370 1.00 0.00 C ATOM 825 C ARG A 55 83.402 -10.246 13.964 1.00 0.00 C ATOM 826 O ARG A 55 82.256 -10.002 13.586 1.00 0.00 O ATOM 827 CB ARG A 55 84.305 -8.940 15.889 1.00 0.00 C ATOM 828 CG ARG A 55 84.765 -10.231 16.573 1.00 0.00 C ATOM 829 CD ARG A 55 85.050 -9.954 18.050 1.00 0.00 C ATOM 830 NE ARG A 55 84.347 -10.917 18.890 1.00 0.00 N ATOM 831 CZ ARG A 55 84.703 -11.115 20.156 1.00 0.00 C ATOM 832 NH1 ARG A 55 85.702 -10.449 20.665 1.00 0.00 N ATOM 833 NH2 ARG A 55 84.054 -11.980 20.888 1.00 0.00 N ATOM 0 H ARG A 55 84.073 -7.041 14.291 1.00 0.00 H new ATOM 0 HA ARG A 55 85.360 -9.385 14.062 1.00 0.00 H new ATOM 0 HB2 ARG A 55 84.948 -8.111 16.185 1.00 0.00 H new ATOM 0 HB3 ARG A 55 83.293 -8.689 16.207 1.00 0.00 H new ATOM 0 HG2 ARG A 55 83.997 -10.999 16.478 1.00 0.00 H new ATOM 0 HG3 ARG A 55 85.661 -10.614 16.085 1.00 0.00 H new ATOM 0 HD2 ARG A 55 86.122 -10.012 18.238 1.00 0.00 H new ATOM 0 HD3 ARG A 55 84.736 -8.942 18.304 1.00 0.00 H new ATOM 0 HE ARG A 55 83.569 -11.448 18.500 1.00 0.00 H new ATOM 0 HH11 ARG A 55 86.211 -9.776 20.092 1.00 0.00 H new ATOM 0 HH12 ARG A 55 85.975 -10.601 21.636 1.00 0.00 H new ATOM 0 HH21 ARG A 55 83.275 -12.503 20.489 1.00 0.00 H new ATOM 0 HH22 ARG A 55 84.326 -12.133 21.859 1.00 0.00 H new ATOM 847 N LYS A 56 83.890 -11.481 14.044 1.00 0.00 N ATOM 848 CA LYS A 56 83.079 -12.638 13.684 1.00 0.00 C ATOM 849 C LYS A 56 83.749 -13.927 14.151 1.00 0.00 C ATOM 850 O LYS A 56 83.115 -14.979 14.217 1.00 0.00 O ATOM 851 CB LYS A 56 82.875 -12.686 12.167 1.00 0.00 C ATOM 852 CG LYS A 56 84.174 -12.290 11.461 1.00 0.00 C ATOM 853 CD LYS A 56 83.993 -12.420 9.948 1.00 0.00 C ATOM 854 CE LYS A 56 83.496 -11.090 9.375 1.00 0.00 C ATOM 855 NZ LYS A 56 84.601 -10.089 9.412 1.00 0.00 N ATOM 0 H LYS A 56 84.836 -11.705 14.353 1.00 0.00 H new ATOM 0 HA LYS A 56 82.111 -12.545 14.176 1.00 0.00 H new ATOM 0 HB2 LYS A 56 82.575 -13.688 11.862 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.071 -12.010 11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 56 84.443 -11.266 11.719 1.00 0.00 H new ATOM 0 HG3 LYS A 56 84.992 -12.928 11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 56 84.938 -12.699 9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 56 83.280 -13.214 9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 56 83.151 -11.229 8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 56 82.644 -10.729 9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 84.316 -9.278 9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.452 -10.527 9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 84.807 -9.763 8.446 1.00 0.00 H new ATOM 869 N GLY A 57 85.034 -13.835 14.475 1.00 0.00 N ATOM 870 CA GLY A 57 85.780 -15.000 14.935 1.00 0.00 C ATOM 871 C GLY A 57 87.014 -15.231 14.071 1.00 0.00 C ATOM 872 O GLY A 57 87.757 -16.191 14.275 1.00 0.00 O ATOM 0 H GLY A 57 85.577 -12.973 14.428 1.00 0.00 H new ATOM 0 HA2 GLY A 57 86.079 -14.858 15.973 1.00 0.00 H new ATOM 0 HA3 GLY A 57 85.140 -15.882 14.905 1.00 0.00 H new ATOM 876 N ASP A 58 87.228 -14.343 13.104 1.00 0.00 N ATOM 877 CA ASP A 58 88.377 -14.460 12.215 1.00 0.00 C ATOM 878 C ASP A 58 88.569 -15.910 11.777 1.00 0.00 C ATOM 879 O ASP A 58 89.250 -16.685 12.448 1.00 0.00 O ATOM 880 CB ASP A 58 89.639 -13.968 12.925 1.00 0.00 C ATOM 881 CG ASP A 58 90.721 -13.640 11.903 1.00 0.00 C ATOM 882 OD1 ASP A 58 90.393 -13.026 10.901 1.00 0.00 O ATOM 883 OD2 ASP A 58 91.860 -14.009 12.136 1.00 0.00 O ATOM 0 H ASP A 58 86.626 -13.541 12.918 1.00 0.00 H new ATOM 0 HA ASP A 58 88.195 -13.846 11.333 1.00 0.00 H new ATOM 0 HB2 ASP A 58 89.410 -13.084 13.520 1.00 0.00 H new ATOM 0 HB3 ASP A 58 89.999 -14.732 13.615 1.00 0.00 H new ATOM 888 N ALA A 59 87.964 -16.267 10.648 1.00 0.00 N ATOM 889 CA ALA A 59 88.073 -17.626 10.131 1.00 0.00 C ATOM 890 C ALA A 59 89.520 -18.107 10.184 1.00 0.00 C ATOM 891 O ALA A 59 89.922 -18.798 11.121 1.00 0.00 O ATOM 892 CB ALA A 59 87.571 -17.676 8.687 1.00 0.00 C ATOM 0 H ALA A 59 87.397 -15.639 10.078 1.00 0.00 H new ATOM 0 HA ALA A 59 87.462 -18.280 10.753 1.00 0.00 H new ATOM 0 HB1 ALA A 59 87.655 -18.694 8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 59 86.528 -17.362 8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 59 88.171 -17.008 8.070 1.00 0.00 H new ATOM 898 N GLY A 60 90.299 -17.740 9.171 1.00 0.00 N ATOM 899 CA GLY A 60 91.699 -18.143 9.111 1.00 0.00 C ATOM 900 C GLY A 60 92.598 -16.950 8.805 1.00 0.00 C ATOM 901 O GLY A 60 93.501 -17.038 7.972 1.00 0.00 O ATOM 0 H GLY A 60 89.987 -17.168 8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 60 91.993 -18.591 10.060 1.00 0.00 H new ATOM 0 HA3 GLY A 60 91.829 -18.907 8.344 1.00 0.00 H new ATOM 905 N GLY A 61 92.348 -15.836 9.485 1.00 0.00 N ATOM 906 CA GLY A 61 93.144 -14.633 9.278 1.00 0.00 C ATOM 907 C GLY A 61 92.544 -13.763 8.178 1.00 0.00 C ATOM 908 O GLY A 61 93.221 -13.423 7.206 1.00 0.00 O ATOM 0 H GLY A 61 91.606 -15.742 10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 61 93.199 -14.065 10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 61 94.164 -14.909 9.012 1.00 0.00 H new ATOM 912 N LEU A 62 91.275 -13.409 8.337 1.00 0.00 N ATOM 913 CA LEU A 62 90.593 -12.580 7.353 1.00 0.00 C ATOM 914 C LEU A 62 91.548 -11.541 6.771 1.00 0.00 C ATOM 915 O LEU A 62 92.215 -10.817 7.509 1.00 0.00 O ATOM 916 CB LEU A 62 89.403 -11.872 8.007 1.00 0.00 C ATOM 917 CG LEU A 62 88.211 -11.881 7.051 1.00 0.00 C ATOM 918 CD1 LEU A 62 87.463 -13.209 7.175 1.00 0.00 C ATOM 919 CD2 LEU A 62 87.267 -10.729 7.404 1.00 0.00 C ATOM 0 H LEU A 62 90.700 -13.682 9.134 1.00 0.00 H new ATOM 0 HA LEU A 62 90.239 -13.222 6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 62 89.138 -12.371 8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 62 89.671 -10.846 8.260 1.00 0.00 H new ATOM 0 HG LEU A 62 88.567 -11.761 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 62 86.613 -13.213 6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 62 88.135 -14.030 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 62 87.107 -13.332 8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 62 86.416 -10.734 6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 62 86.913 -10.849 8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 62 87.799 -9.782 7.313 1.00 0.00 H new ATOM 931 N LYS A 63 91.606 -11.475 5.445 1.00 0.00 N ATOM 932 CA LYS A 63 92.484 -10.518 4.776 1.00 0.00 C ATOM 933 C LYS A 63 91.698 -9.284 4.349 1.00 0.00 C ATOM 934 O LYS A 63 92.257 -8.195 4.213 1.00 0.00 O ATOM 935 CB LYS A 63 93.125 -11.165 3.544 1.00 0.00 C ATOM 936 CG LYS A 63 93.843 -12.455 3.949 1.00 0.00 C ATOM 937 CD LYS A 63 95.280 -12.132 4.364 1.00 0.00 C ATOM 938 CE LYS A 63 95.968 -13.408 4.856 1.00 0.00 C ATOM 939 NZ LYS A 63 96.823 -13.961 3.770 1.00 0.00 N ATOM 0 H LYS A 63 91.062 -12.066 4.816 1.00 0.00 H new ATOM 0 HA LYS A 63 93.264 -10.219 5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 63 92.361 -11.382 2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 63 93.832 -10.474 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 63 93.314 -12.934 4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.843 -13.160 3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 63 95.828 -11.713 3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 63 95.282 -11.378 5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 63 96.574 -13.191 5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 63 95.222 -14.144 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 97.291 -14.828 4.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 96.233 -14.182 2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 97.543 -13.260 3.504 1.00 0.00 H new ATOM 953 N SER A 64 90.398 -9.461 4.140 1.00 0.00 N ATOM 954 CA SER A 64 89.541 -8.355 3.728 1.00 0.00 C ATOM 955 C SER A 64 89.624 -7.211 4.734 1.00 0.00 C ATOM 956 O SER A 64 89.674 -6.040 4.354 1.00 0.00 O ATOM 957 CB SER A 64 88.093 -8.830 3.613 1.00 0.00 C ATOM 958 OG SER A 64 88.027 -10.213 3.934 1.00 0.00 O ATOM 0 H SER A 64 89.917 -10.354 4.248 1.00 0.00 H new ATOM 0 HA SER A 64 89.883 -7.997 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 64 87.455 -8.257 4.287 1.00 0.00 H new ATOM 0 HB3 SER A 64 87.722 -8.661 2.602 1.00 0.00 H new ATOM 0 HG SER A 64 87.099 -10.521 3.863 1.00 0.00 H new ATOM 964 N PHE A 65 89.636 -7.558 6.017 1.00 0.00 N ATOM 965 CA PHE A 65 89.711 -6.550 7.068 1.00 0.00 C ATOM 966 C PHE A 65 90.931 -5.658 6.867 1.00 0.00 C ATOM 967 O PHE A 65 90.847 -4.433 6.986 1.00 0.00 O ATOM 968 CB PHE A 65 89.792 -7.229 8.437 1.00 0.00 C ATOM 969 CG PHE A 65 90.639 -6.393 9.367 1.00 0.00 C ATOM 970 CD1 PHE A 65 90.109 -5.233 9.943 1.00 0.00 C ATOM 971 CD2 PHE A 65 91.955 -6.778 9.649 1.00 0.00 C ATOM 972 CE1 PHE A 65 90.894 -4.458 10.804 1.00 0.00 C ATOM 973 CE2 PHE A 65 92.741 -6.002 10.511 1.00 0.00 C ATOM 974 CZ PHE A 65 92.211 -4.843 11.087 1.00 0.00 C ATOM 0 H PHE A 65 89.595 -8.521 6.352 1.00 0.00 H new ATOM 0 HA PHE A 65 88.813 -5.934 7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.792 -7.353 8.852 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.221 -8.226 8.335 1.00 0.00 H new ATOM 0 HD1 PHE A 65 89.094 -4.936 9.723 1.00 0.00 H new ATOM 0 HD2 PHE A 65 92.364 -7.672 9.203 1.00 0.00 H new ATOM 0 HE1 PHE A 65 90.485 -3.564 11.250 1.00 0.00 H new ATOM 0 HE2 PHE A 65 93.756 -6.299 10.731 1.00 0.00 H new ATOM 0 HZ PHE A 65 92.817 -4.244 11.750 1.00 0.00 H new ATOM 984 N THR A 66 92.066 -6.276 6.559 1.00 0.00 N ATOM 985 CA THR A 66 93.297 -5.525 6.344 1.00 0.00 C ATOM 986 C THR A 66 93.111 -4.504 5.227 1.00 0.00 C ATOM 987 O THR A 66 93.419 -3.323 5.397 1.00 0.00 O ATOM 988 CB THR A 66 94.439 -6.477 5.984 1.00 0.00 C ATOM 989 OG1 THR A 66 94.564 -7.467 6.993 1.00 0.00 O ATOM 990 CG2 THR A 66 95.746 -5.689 5.874 1.00 0.00 C ATOM 0 H THR A 66 92.159 -7.286 6.453 1.00 0.00 H new ATOM 0 HA THR A 66 93.544 -4.999 7.266 1.00 0.00 H new ATOM 0 HB THR A 66 94.225 -6.957 5.029 1.00 0.00 H new ATOM 0 HG1 THR A 66 95.294 -8.079 6.763 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.560 -6.368 5.618 1.00 0.00 H new ATOM 0 HG22 THR A 66 95.649 -4.929 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.962 -5.208 6.828 1.00 0.00 H new ATOM 998 N THR A 67 92.602 -4.957 4.087 1.00 0.00 N ATOM 999 CA THR A 67 92.381 -4.064 2.967 1.00 0.00 C ATOM 1000 C THR A 67 91.319 -3.038 3.323 1.00 0.00 C ATOM 1001 O THR A 67 91.431 -1.873 2.962 1.00 0.00 O ATOM 1002 CB THR A 67 91.926 -4.855 1.750 1.00 0.00 C ATOM 1003 OG1 THR A 67 91.771 -6.223 2.102 1.00 0.00 O ATOM 1004 CG2 THR A 67 92.962 -4.725 0.633 1.00 0.00 C ATOM 0 H THR A 67 92.338 -5.928 3.919 1.00 0.00 H new ATOM 0 HA THR A 67 93.317 -3.554 2.738 1.00 0.00 H new ATOM 0 HB THR A 67 90.971 -4.461 1.401 1.00 0.00 H new ATOM 0 HG1 THR A 67 92.654 -6.637 2.202 1.00 0.00 H new ATOM 0 HG21 THR A 67 92.632 -5.293 -0.237 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.073 -3.676 0.360 1.00 0.00 H new ATOM 0 HG23 THR A 67 93.920 -5.114 0.978 1.00 0.00 H new ATOM 1012 N MET A 68 90.286 -3.478 4.036 1.00 0.00 N ATOM 1013 CA MET A 68 89.220 -2.570 4.428 1.00 0.00 C ATOM 1014 C MET A 68 89.821 -1.337 5.089 1.00 0.00 C ATOM 1015 O MET A 68 89.341 -0.221 4.896 1.00 0.00 O ATOM 1016 CB MET A 68 88.256 -3.267 5.391 1.00 0.00 C ATOM 1017 CG MET A 68 87.295 -4.153 4.594 1.00 0.00 C ATOM 1018 SD MET A 68 85.931 -3.144 3.962 1.00 0.00 S ATOM 1019 CE MET A 68 84.862 -4.508 3.440 1.00 0.00 C ATOM 0 H MET A 68 90.167 -4.442 4.348 1.00 0.00 H new ATOM 0 HA MET A 68 88.663 -2.268 3.541 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.813 -3.869 6.109 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.696 -2.527 5.963 1.00 0.00 H new ATOM 0 HG2 MET A 68 87.823 -4.629 3.768 1.00 0.00 H new ATOM 0 HG3 MET A 68 86.908 -4.951 5.228 1.00 0.00 H new ATOM 0 HE1 MET A 68 84.574 -4.367 2.398 1.00 0.00 H new ATOM 0 HE2 MET A 68 85.399 -5.451 3.544 1.00 0.00 H new ATOM 0 HE3 MET A 68 83.968 -4.529 4.063 1.00 0.00 H new ATOM 1029 N GLN A 69 90.892 -1.547 5.851 1.00 0.00 N ATOM 1030 CA GLN A 69 91.570 -0.441 6.515 1.00 0.00 C ATOM 1031 C GLN A 69 92.408 0.331 5.502 1.00 0.00 C ATOM 1032 O GLN A 69 92.533 1.552 5.587 1.00 0.00 O ATOM 1033 CB GLN A 69 92.469 -0.969 7.636 1.00 0.00 C ATOM 1034 CG GLN A 69 92.995 0.202 8.468 1.00 0.00 C ATOM 1035 CD GLN A 69 91.960 0.611 9.510 1.00 0.00 C ATOM 1036 OE1 GLN A 69 91.400 -0.243 10.200 1.00 0.00 O ATOM 1037 NE2 GLN A 69 91.667 1.874 9.668 1.00 0.00 N ATOM 0 H GLN A 69 91.304 -2.464 6.022 1.00 0.00 H new ATOM 0 HA GLN A 69 90.822 0.224 6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 69 91.910 -1.657 8.271 1.00 0.00 H new ATOM 0 HB3 GLN A 69 93.302 -1.531 7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 69 93.926 -0.080 8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 69 93.222 1.047 7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 69 92.131 2.580 9.097 1.00 0.00 H new ATOM 0 HE22 GLN A 69 90.975 2.154 10.363 1.00 0.00 H new ATOM 1046 N THR A 70 92.971 -0.391 4.537 1.00 0.00 N ATOM 1047 CA THR A 70 93.782 0.243 3.506 1.00 0.00 C ATOM 1048 C THR A 70 92.925 1.202 2.692 1.00 0.00 C ATOM 1049 O THR A 70 93.292 2.361 2.488 1.00 0.00 O ATOM 1050 CB THR A 70 94.388 -0.819 2.584 1.00 0.00 C ATOM 1051 OG1 THR A 70 95.056 -1.795 3.370 1.00 0.00 O ATOM 1052 CG2 THR A 70 95.385 -0.160 1.628 1.00 0.00 C ATOM 0 H THR A 70 92.882 -1.403 4.449 1.00 0.00 H new ATOM 0 HA THR A 70 94.589 0.799 3.984 1.00 0.00 H new ATOM 0 HB THR A 70 93.596 -1.295 2.005 1.00 0.00 H new ATOM 0 HG1 THR A 70 94.406 -2.258 3.939 1.00 0.00 H new ATOM 0 HG21 THR A 70 95.815 -0.917 0.973 1.00 0.00 H new ATOM 0 HG22 THR A 70 94.871 0.591 1.027 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.179 0.317 2.202 1.00 0.00 H new ATOM 1060 N ALA A 71 91.771 0.718 2.236 1.00 0.00 N ATOM 1061 CA ALA A 71 90.866 1.549 1.458 1.00 0.00 C ATOM 1062 C ALA A 71 90.313 2.681 2.320 1.00 0.00 C ATOM 1063 O ALA A 71 90.082 3.782 1.832 1.00 0.00 O ATOM 1064 CB ALA A 71 89.711 0.708 0.912 1.00 0.00 C ATOM 0 H ALA A 71 91.446 -0.236 2.392 1.00 0.00 H new ATOM 0 HA ALA A 71 91.422 1.976 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 71 89.041 1.343 0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 71 90.106 -0.082 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.161 0.263 1.741 1.00 0.00 H new ATOM 1070 N LEU A 72 90.105 2.404 3.604 1.00 0.00 N ATOM 1071 CA LEU A 72 89.582 3.421 4.512 1.00 0.00 C ATOM 1072 C LEU A 72 90.450 4.672 4.449 1.00 0.00 C ATOM 1073 O LEU A 72 89.960 5.769 4.175 1.00 0.00 O ATOM 1074 CB LEU A 72 89.566 2.889 5.946 1.00 0.00 C ATOM 1075 CG LEU A 72 88.449 3.575 6.737 1.00 0.00 C ATOM 1076 CD1 LEU A 72 88.516 3.136 8.201 1.00 0.00 C ATOM 1077 CD2 LEU A 72 88.622 5.093 6.655 1.00 0.00 C ATOM 0 H LEU A 72 90.287 1.498 4.035 1.00 0.00 H new ATOM 0 HA LEU A 72 88.565 3.669 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 72 89.413 1.810 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 72 90.529 3.073 6.423 1.00 0.00 H new ATOM 0 HG LEU A 72 87.483 3.295 6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 72 87.721 3.624 8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 72 88.393 2.055 8.263 1.00 0.00 H new ATOM 0 HD13 LEU A 72 89.482 3.416 8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.826 5.581 7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 72 89.588 5.372 7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 72 88.575 5.409 5.613 1.00 0.00 H new ATOM 1089 N ASN A 73 91.742 4.496 4.695 1.00 0.00 N ATOM 1090 CA ASN A 73 92.674 5.617 4.657 1.00 0.00 C ATOM 1091 C ASN A 73 92.705 6.237 3.263 1.00 0.00 C ATOM 1092 O ASN A 73 92.824 7.454 3.114 1.00 0.00 O ATOM 1093 CB ASN A 73 94.079 5.139 5.034 1.00 0.00 C ATOM 1094 CG ASN A 73 94.046 4.444 6.390 1.00 0.00 C ATOM 1095 OD1 ASN A 73 93.136 4.674 7.187 1.00 0.00 O ATOM 1096 ND2 ASN A 73 94.992 3.599 6.703 1.00 0.00 N ATOM 0 H ASN A 73 92.166 3.596 4.921 1.00 0.00 H new ATOM 0 HA ASN A 73 92.341 6.369 5.372 1.00 0.00 H new ATOM 0 HB2 ASN A 73 94.455 4.454 4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 73 94.764 5.986 5.067 1.00 0.00 H new ATOM 0 HD21 ASN A 73 94.977 3.129 7.608 1.00 0.00 H new ATOM 0 HD22 ASN A 73 95.745 3.409 6.042 1.00 0.00 H new ATOM 1103 N SER A 74 92.601 5.389 2.245 1.00 0.00 N ATOM 1104 CA SER A 74 92.623 5.857 0.865 1.00 0.00 C ATOM 1105 C SER A 74 91.464 6.807 0.589 1.00 0.00 C ATOM 1106 O SER A 74 91.673 7.956 0.197 1.00 0.00 O ATOM 1107 CB SER A 74 92.537 4.663 -0.080 1.00 0.00 C ATOM 1108 OG SER A 74 92.828 5.090 -1.404 1.00 0.00 O ATOM 0 H SER A 74 92.501 4.379 2.349 1.00 0.00 H new ATOM 0 HA SER A 74 93.556 6.396 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 74 93.241 3.890 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 74 91.541 4.223 -0.038 1.00 0.00 H new ATOM 0 HG SER A 74 92.033 5.510 -1.795 1.00 0.00 H new ATOM 1114 N LEU A 75 90.242 6.328 0.794 1.00 0.00 N ATOM 1115 CA LEU A 75 89.069 7.159 0.560 1.00 0.00 C ATOM 1116 C LEU A 75 89.260 8.516 1.217 1.00 0.00 C ATOM 1117 O LEU A 75 89.091 9.559 0.586 1.00 0.00 O ATOM 1118 CB LEU A 75 87.823 6.502 1.148 1.00 0.00 C ATOM 1119 CG LEU A 75 87.623 5.129 0.517 1.00 0.00 C ATOM 1120 CD1 LEU A 75 86.788 4.254 1.451 1.00 0.00 C ATOM 1121 CD2 LEU A 75 86.899 5.274 -0.825 1.00 0.00 C ATOM 0 H LEU A 75 90.040 5.382 1.117 1.00 0.00 H new ATOM 0 HA LEU A 75 88.943 7.278 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.926 6.405 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 75 86.949 7.128 0.966 1.00 0.00 H new ATOM 0 HG LEU A 75 88.596 4.666 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.645 3.272 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.305 4.143 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 75 85.817 4.722 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.759 4.289 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 75 85.927 5.742 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.495 5.894 -1.495 1.00 0.00 H new ATOM 1133 N ALA A 76 89.613 8.483 2.497 1.00 0.00 N ATOM 1134 CA ALA A 76 89.828 9.709 3.254 1.00 0.00 C ATOM 1135 C ALA A 76 90.685 10.683 2.453 1.00 0.00 C ATOM 1136 O ALA A 76 90.358 11.863 2.338 1.00 0.00 O ATOM 1137 CB ALA A 76 90.515 9.392 4.582 1.00 0.00 C ATOM 0 H ALA A 76 89.756 7.625 3.030 1.00 0.00 H new ATOM 0 HA ALA A 76 88.860 10.169 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 76 90.671 10.315 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 76 89.887 8.717 5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 76 91.477 8.917 4.390 1.00 0.00 H new ATOM 1143 N GLY A 77 91.779 10.175 1.892 1.00 0.00 N ATOM 1144 CA GLY A 77 92.668 11.012 1.096 1.00 0.00 C ATOM 1145 C GLY A 77 91.908 11.651 -0.061 1.00 0.00 C ATOM 1146 O GLY A 77 92.141 12.808 -0.407 1.00 0.00 O ATOM 0 H GLY A 77 92.068 9.200 1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 77 93.105 11.788 1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 77 93.492 10.412 0.710 1.00 0.00 H new ATOM 1150 N TYR A 78 90.995 10.888 -0.652 1.00 0.00 N ATOM 1151 CA TYR A 78 90.197 11.387 -1.767 1.00 0.00 C ATOM 1152 C TYR A 78 89.148 12.378 -1.275 1.00 0.00 C ATOM 1153 O TYR A 78 88.603 13.159 -2.055 1.00 0.00 O ATOM 1154 CB TYR A 78 89.506 10.221 -2.476 1.00 0.00 C ATOM 1155 CG TYR A 78 88.229 10.704 -3.119 1.00 0.00 C ATOM 1156 CD1 TYR A 78 87.031 10.686 -2.396 1.00 0.00 C ATOM 1157 CD2 TYR A 78 88.242 11.168 -4.441 1.00 0.00 C ATOM 1158 CE1 TYR A 78 85.846 11.133 -2.992 1.00 0.00 C ATOM 1159 CE2 TYR A 78 87.057 11.614 -5.037 1.00 0.00 C ATOM 1160 CZ TYR A 78 85.860 11.596 -4.314 1.00 0.00 C ATOM 1161 OH TYR A 78 84.691 12.036 -4.901 1.00 0.00 O ATOM 0 H TYR A 78 90.789 9.927 -0.380 1.00 0.00 H new ATOM 0 HA TYR A 78 90.861 11.896 -2.465 1.00 0.00 H new ATOM 0 HB2 TYR A 78 90.168 9.798 -3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 78 89.288 9.426 -1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 78 87.021 10.327 -1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 78 89.166 11.181 -5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 78 84.922 11.121 -2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 78 87.067 11.972 -6.056 1.00 0.00 H new ATOM 0 HH TYR A 78 84.874 12.324 -5.820 1.00 0.00 H new ATOM 1171 N TYR A 79 88.870 12.342 0.025 1.00 0.00 N ATOM 1172 CA TYR A 79 87.883 13.243 0.610 1.00 0.00 C ATOM 1173 C TYR A 79 88.534 14.562 1.014 1.00 0.00 C ATOM 1174 O TYR A 79 87.965 15.634 0.809 1.00 0.00 O ATOM 1175 CB TYR A 79 87.241 12.590 1.836 1.00 0.00 C ATOM 1176 CG TYR A 79 86.989 13.639 2.894 1.00 0.00 C ATOM 1177 CD1 TYR A 79 86.176 14.742 2.604 1.00 0.00 C ATOM 1178 CD2 TYR A 79 87.567 13.508 4.163 1.00 0.00 C ATOM 1179 CE1 TYR A 79 85.942 15.715 3.583 1.00 0.00 C ATOM 1180 CE2 TYR A 79 87.331 14.481 5.142 1.00 0.00 C ATOM 1181 CZ TYR A 79 86.519 15.584 4.853 1.00 0.00 C ATOM 1182 OH TYR A 79 86.288 16.544 5.818 1.00 0.00 O ATOM 0 H TYR A 79 89.310 11.704 0.688 1.00 0.00 H new ATOM 0 HA TYR A 79 87.115 13.445 -0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 79 86.304 12.109 1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 79 87.894 11.811 2.230 1.00 0.00 H new ATOM 0 HD1 TYR A 79 85.730 14.842 1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 79 88.194 12.657 4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 79 85.317 16.567 3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 79 87.776 14.380 6.121 1.00 0.00 H new ATOM 0 HH TYR A 79 86.761 16.301 6.641 1.00 0.00 H new ATOM 1192 N THR A 80 89.730 14.476 1.588 1.00 0.00 N ATOM 1193 CA THR A 80 90.448 15.670 2.015 1.00 0.00 C ATOM 1194 C THR A 80 90.649 16.620 0.840 1.00 0.00 C ATOM 1195 O THR A 80 90.478 17.832 0.970 1.00 0.00 O ATOM 1196 CB THR A 80 91.809 15.280 2.595 1.00 0.00 C ATOM 1197 OG1 THR A 80 92.514 14.485 1.651 1.00 0.00 O ATOM 1198 CG2 THR A 80 91.608 14.484 3.886 1.00 0.00 C ATOM 0 H THR A 80 90.219 13.599 1.767 1.00 0.00 H new ATOM 0 HA THR A 80 89.857 16.174 2.780 1.00 0.00 H new ATOM 0 HB THR A 80 92.382 16.181 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 80 91.875 14.037 1.058 1.00 0.00 H new ATOM 0 HG21 THR A 80 92.579 14.207 4.298 1.00 0.00 H new ATOM 0 HG22 THR A 80 91.068 15.095 4.610 1.00 0.00 H new ATOM 0 HG23 THR A 80 91.034 13.582 3.672 1.00 0.00 H new ATOM 1206 N SER A 81 91.014 16.060 -0.309 1.00 0.00 N ATOM 1207 CA SER A 81 91.238 16.866 -1.505 1.00 0.00 C ATOM 1208 C SER A 81 89.943 17.541 -1.946 1.00 0.00 C ATOM 1209 O SER A 81 89.056 17.797 -1.132 1.00 0.00 O ATOM 1210 CB SER A 81 91.768 15.987 -2.637 1.00 0.00 C ATOM 1211 OG SER A 81 92.645 15.007 -2.100 1.00 0.00 O ATOM 0 H SER A 81 91.160 15.059 -0.438 1.00 0.00 H new ATOM 0 HA SER A 81 91.974 17.635 -1.269 1.00 0.00 H new ATOM 0 HB2 SER A 81 90.940 15.505 -3.156 1.00 0.00 H new ATOM 0 HB3 SER A 81 92.293 16.598 -3.372 1.00 0.00 H new ATOM 0 HG SER A 81 92.985 14.441 -2.824 1.00 0.00 H new ATOM 1217 N TYR A 82 89.846 17.828 -3.240 1.00 0.00 N ATOM 1218 CA TYR A 82 88.655 18.474 -3.781 1.00 0.00 C ATOM 1219 C TYR A 82 87.978 17.573 -4.810 1.00 0.00 C ATOM 1220 O TYR A 82 87.100 18.015 -5.552 1.00 0.00 O ATOM 1221 CB TYR A 82 89.037 19.803 -4.436 1.00 0.00 C ATOM 1222 CG TYR A 82 88.776 20.934 -3.472 1.00 0.00 C ATOM 1223 CD1 TYR A 82 87.478 21.435 -3.319 1.00 0.00 C ATOM 1224 CD2 TYR A 82 89.831 21.480 -2.730 1.00 0.00 C ATOM 1225 CE1 TYR A 82 87.235 22.483 -2.423 1.00 0.00 C ATOM 1226 CE2 TYR A 82 89.587 22.527 -1.833 1.00 0.00 C ATOM 1227 CZ TYR A 82 88.288 23.029 -1.680 1.00 0.00 C ATOM 1228 OH TYR A 82 88.049 24.061 -0.796 1.00 0.00 O ATOM 0 H TYR A 82 90.571 17.626 -3.929 1.00 0.00 H new ATOM 0 HA TYR A 82 87.959 18.658 -2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 82 90.089 19.790 -4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 82 88.460 19.949 -5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 82 86.665 21.014 -3.891 1.00 0.00 H new ATOM 0 HD2 TYR A 82 90.832 21.094 -2.850 1.00 0.00 H new ATOM 0 HE1 TYR A 82 86.234 22.871 -2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 82 90.400 22.947 -1.259 1.00 0.00 H new ATOM 0 HH TYR A 82 88.888 24.321 -0.362 1.00 0.00 H new ATOM 1238 N GLY A 83 88.391 16.311 -4.850 1.00 0.00 N ATOM 1239 CA GLY A 83 87.816 15.361 -5.794 1.00 0.00 C ATOM 1240 C GLY A 83 87.778 15.947 -7.200 1.00 0.00 C ATOM 1241 O GLY A 83 88.416 16.963 -7.477 1.00 0.00 O ATOM 0 H GLY A 83 89.116 15.925 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 83 88.403 14.442 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 83 86.807 15.095 -5.479 1.00 0.00 H new ATOM 1245 N ALA A 84 87.027 15.302 -8.086 1.00 0.00 N ATOM 1246 CA ALA A 84 86.915 15.771 -9.462 1.00 0.00 C ATOM 1247 C ALA A 84 88.262 16.287 -9.960 1.00 0.00 C ATOM 1248 O ALA A 84 88.335 17.327 -10.616 1.00 0.00 O ATOM 1249 CB ALA A 84 85.873 16.886 -9.550 1.00 0.00 C ATOM 0 H ALA A 84 86.491 14.460 -7.878 1.00 0.00 H new ATOM 0 HA ALA A 84 86.604 14.936 -10.089 1.00 0.00 H new ATOM 0 HB1 ALA A 84 85.795 17.231 -10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 84 84.906 16.507 -9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 84 86.174 17.716 -8.911 1.00 0.00 H new ATOM 1255 N ARG A 85 89.325 15.554 -9.643 1.00 0.00 N ATOM 1256 CA ARG A 85 90.666 15.946 -10.061 1.00 0.00 C ATOM 1257 C ARG A 85 91.532 14.709 -10.298 1.00 0.00 C ATOM 1258 O ARG A 85 91.274 13.648 -9.731 1.00 0.00 O ATOM 1259 CB ARG A 85 91.306 16.823 -8.983 1.00 0.00 C ATOM 1260 CG ARG A 85 90.979 18.294 -9.258 1.00 0.00 C ATOM 1261 CD ARG A 85 91.706 19.185 -8.248 1.00 0.00 C ATOM 1262 NE ARG A 85 92.367 18.377 -7.231 1.00 0.00 N ATOM 1263 CZ ARG A 85 93.263 18.909 -6.405 1.00 0.00 C ATOM 1264 NH1 ARG A 85 93.564 20.175 -6.500 1.00 0.00 N ATOM 1265 NH2 ARG A 85 93.841 18.166 -5.502 1.00 0.00 N ATOM 0 H ARG A 85 89.284 14.691 -9.101 1.00 0.00 H new ATOM 0 HA ARG A 85 90.593 16.508 -10.992 1.00 0.00 H new ATOM 0 HB2 ARG A 85 90.936 16.535 -7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 85 92.386 16.675 -8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 85 91.278 18.559 -10.272 1.00 0.00 H new ATOM 0 HG3 ARG A 85 89.903 18.455 -9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 85 92.441 19.803 -8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 85 90.995 19.863 -7.776 1.00 0.00 H new ATOM 0 HE ARG A 85 92.138 17.386 -7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 85 93.112 20.755 -7.207 1.00 0.00 H new ATOM 0 HH12 ARG A 85 94.251 20.585 -5.867 1.00 0.00 H new ATOM 0 HH21 ARG A 85 93.606 17.176 -5.429 1.00 0.00 H new ATOM 0 HH22 ARG A 85 94.528 18.575 -4.869 1.00 0.00 H new ATOM 1279 N PRO A 86 92.547 14.825 -11.115 1.00 0.00 N ATOM 1280 CA PRO A 86 93.461 13.690 -11.419 1.00 0.00 C ATOM 1281 C PRO A 86 93.780 12.870 -10.171 1.00 0.00 C ATOM 1282 O PRO A 86 94.564 13.294 -9.322 1.00 0.00 O ATOM 1283 CB PRO A 86 94.715 14.376 -11.959 1.00 0.00 C ATOM 1284 CG PRO A 86 94.250 15.675 -12.539 1.00 0.00 C ATOM 1285 CD PRO A 86 92.937 16.047 -11.841 1.00 0.00 C ATOM 0 HA PRO A 86 93.024 12.981 -12.122 1.00 0.00 H new ATOM 0 HB2 PRO A 86 95.444 14.540 -11.165 1.00 0.00 H new ATOM 0 HB3 PRO A 86 95.202 13.761 -12.716 1.00 0.00 H new ATOM 0 HG2 PRO A 86 94.999 16.453 -12.387 1.00 0.00 H new ATOM 0 HG3 PRO A 86 94.100 15.583 -13.615 1.00 0.00 H new ATOM 0 HD2 PRO A 86 93.074 16.887 -11.160 1.00 0.00 H new ATOM 0 HD3 PRO A 86 92.174 16.342 -12.561 1.00 0.00 H new ATOM 1293 N ILE A 87 93.161 11.699 -10.064 1.00 0.00 N ATOM 1294 CA ILE A 87 93.382 10.835 -8.912 1.00 0.00 C ATOM 1295 C ILE A 87 94.833 10.340 -8.878 1.00 0.00 C ATOM 1296 O ILE A 87 95.337 9.840 -9.883 1.00 0.00 O ATOM 1297 CB ILE A 87 92.442 9.630 -8.982 1.00 0.00 C ATOM 1298 CG1 ILE A 87 91.010 10.113 -9.227 1.00 0.00 C ATOM 1299 CG2 ILE A 87 92.501 8.858 -7.663 1.00 0.00 C ATOM 1300 CD1 ILE A 87 90.108 8.911 -9.513 1.00 0.00 C ATOM 0 H ILE A 87 92.508 11.329 -10.755 1.00 0.00 H new ATOM 0 HA ILE A 87 93.182 11.410 -8.008 1.00 0.00 H new ATOM 0 HB ILE A 87 92.750 8.977 -9.798 1.00 0.00 H new ATOM 0 HG12 ILE A 87 90.644 10.657 -8.356 1.00 0.00 H new ATOM 0 HG13 ILE A 87 90.988 10.806 -10.068 1.00 0.00 H new ATOM 0 HG21 ILE A 87 91.831 8.000 -7.714 1.00 0.00 H new ATOM 0 HG22 ILE A 87 93.520 8.513 -7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 87 92.194 9.510 -6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 87 89.088 9.255 -9.687 1.00 0.00 H new ATOM 0 HD12 ILE A 87 90.470 8.386 -10.397 1.00 0.00 H new ATOM 0 HD13 ILE A 87 90.122 8.234 -8.659 1.00 0.00 H new ATOM 1312 N PRO A 88 95.513 10.457 -7.757 1.00 0.00 N ATOM 1313 CA PRO A 88 96.924 9.991 -7.637 1.00 0.00 C ATOM 1314 C PRO A 88 97.011 8.473 -7.519 1.00 0.00 C ATOM 1315 O PRO A 88 96.163 7.840 -6.889 1.00 0.00 O ATOM 1316 CB PRO A 88 97.420 10.668 -6.361 1.00 0.00 C ATOM 1317 CG PRO A 88 96.202 10.858 -5.522 1.00 0.00 C ATOM 1318 CD PRO A 88 95.029 11.037 -6.489 1.00 0.00 C ATOM 0 HA PRO A 88 97.519 10.243 -8.514 1.00 0.00 H new ATOM 0 HB2 PRO A 88 98.159 10.051 -5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.899 11.622 -6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 88 96.041 9.998 -4.872 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.308 11.730 -4.876 1.00 0.00 H new ATOM 0 HD2 PRO A 88 94.136 10.524 -6.131 1.00 0.00 H new ATOM 0 HD3 PRO A 88 94.767 12.088 -6.607 1.00 0.00 H new ATOM 1326 N GLU A 89 98.038 7.894 -8.130 1.00 0.00 N ATOM 1327 CA GLU A 89 98.224 6.451 -8.088 1.00 0.00 C ATOM 1328 C GLU A 89 98.023 5.927 -6.672 1.00 0.00 C ATOM 1329 O GLU A 89 97.908 4.726 -6.458 1.00 0.00 O ATOM 1330 CB GLU A 89 99.627 6.090 -8.578 1.00 0.00 C ATOM 1331 CG GLU A 89 100.666 6.900 -7.799 1.00 0.00 C ATOM 1332 CD GLU A 89 101.976 6.123 -7.720 1.00 0.00 C ATOM 1333 OE1 GLU A 89 101.985 5.078 -7.089 1.00 0.00 O ATOM 1334 OE2 GLU A 89 102.952 6.584 -8.290 1.00 0.00 O ATOM 0 H GLU A 89 98.750 8.399 -8.657 1.00 0.00 H new ATOM 0 HA GLU A 89 97.484 5.988 -8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 89 99.807 5.023 -8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 89 99.715 6.296 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 89 100.832 7.861 -8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 89 100.297 7.112 -6.795 1.00 0.00 H new ATOM 1341 N LYS A 90 97.970 6.832 -5.707 1.00 0.00 N ATOM 1342 CA LYS A 90 97.769 6.436 -4.323 1.00 0.00 C ATOM 1343 C LYS A 90 96.334 5.998 -4.113 1.00 0.00 C ATOM 1344 O LYS A 90 96.072 4.852 -3.774 1.00 0.00 O ATOM 1345 CB LYS A 90 98.079 7.599 -3.388 1.00 0.00 C ATOM 1346 CG LYS A 90 99.593 7.788 -3.290 1.00 0.00 C ATOM 1347 CD LYS A 90 99.904 8.866 -2.250 1.00 0.00 C ATOM 1348 CE LYS A 90 100.799 9.935 -2.879 1.00 0.00 C ATOM 1349 NZ LYS A 90 100.018 10.702 -3.889 1.00 0.00 N ATOM 0 H LYS A 90 98.063 7.837 -5.855 1.00 0.00 H new ATOM 0 HA LYS A 90 98.441 5.607 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 90 97.612 8.511 -3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 90 97.662 7.406 -2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 90 100.071 6.849 -3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 90 99.998 8.075 -4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 90 98.979 9.316 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 90 100.400 8.422 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 90 101.178 10.607 -2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 90 101.665 9.469 -3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 100.426 11.653 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 100.053 10.208 -4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 99.029 10.782 -3.576 1.00 0.00 H new ATOM 1363 N LEU A 91 95.408 6.924 -4.338 1.00 0.00 N ATOM 1364 CA LEU A 91 93.994 6.645 -4.190 1.00 0.00 C ATOM 1365 C LEU A 91 93.541 5.777 -5.344 1.00 0.00 C ATOM 1366 O LEU A 91 92.667 4.938 -5.194 1.00 0.00 O ATOM 1367 CB LEU A 91 93.194 7.953 -4.184 1.00 0.00 C ATOM 1368 CG LEU A 91 93.801 8.932 -3.171 1.00 0.00 C ATOM 1369 CD1 LEU A 91 93.276 10.341 -3.450 1.00 0.00 C ATOM 1370 CD2 LEU A 91 93.409 8.520 -1.750 1.00 0.00 C ATOM 0 H LEU A 91 95.619 7.880 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 91 93.824 6.127 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.199 8.397 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.153 7.752 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 91 94.887 8.917 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 91 93.706 11.038 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 91 93.557 10.641 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 91 92.190 10.349 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 91 93.843 9.219 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 91 92.323 8.531 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 91 93.781 7.516 -1.547 1.00 0.00 H new ATOM 1382 N LYS A 92 94.160 5.985 -6.495 1.00 0.00 N ATOM 1383 CA LYS A 92 93.836 5.218 -7.676 1.00 0.00 C ATOM 1384 C LYS A 92 94.268 3.775 -7.487 1.00 0.00 C ATOM 1385 O LYS A 92 93.467 2.873 -7.632 1.00 0.00 O ATOM 1386 CB LYS A 92 94.537 5.811 -8.900 1.00 0.00 C ATOM 1387 CG LYS A 92 93.537 5.924 -10.054 1.00 0.00 C ATOM 1388 CD LYS A 92 94.257 6.415 -11.311 1.00 0.00 C ATOM 1389 CE LYS A 92 94.848 5.219 -12.060 1.00 0.00 C ATOM 1390 NZ LYS A 92 93.752 4.282 -12.433 1.00 0.00 N ATOM 0 H LYS A 92 94.892 6.682 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 92 92.758 5.254 -7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 92 94.944 6.793 -8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 92 95.377 5.181 -9.193 1.00 0.00 H new ATOM 0 HG2 LYS A 92 93.074 4.956 -10.243 1.00 0.00 H new ATOM 0 HG3 LYS A 92 92.736 6.614 -9.788 1.00 0.00 H new ATOM 0 HD2 LYS A 92 93.561 6.953 -11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 92 95.047 7.115 -11.040 1.00 0.00 H new ATOM 0 HE2 LYS A 92 95.372 5.558 -12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 92 95.581 4.709 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 93.819 3.421 -11.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 92.833 4.739 -12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 93.837 4.031 -13.439 1.00 0.00 H new ATOM 1404 N LYS A 93 95.539 3.565 -7.152 1.00 0.00 N ATOM 1405 CA LYS A 93 96.036 2.214 -6.949 1.00 0.00 C ATOM 1406 C LYS A 93 95.484 1.620 -5.668 1.00 0.00 C ATOM 1407 O LYS A 93 95.334 0.415 -5.560 1.00 0.00 O ATOM 1408 CB LYS A 93 97.567 2.185 -6.915 1.00 0.00 C ATOM 1409 CG LYS A 93 98.054 0.755 -7.158 1.00 0.00 C ATOM 1410 CD LYS A 93 99.583 0.727 -7.152 1.00 0.00 C ATOM 1411 CE LYS A 93 100.078 -0.467 -7.970 1.00 0.00 C ATOM 1412 NZ LYS A 93 99.449 -1.717 -7.459 1.00 0.00 N ATOM 0 H LYS A 93 96.231 4.302 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 93 95.696 1.613 -7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 93 97.971 2.853 -7.676 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.927 2.545 -5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 93 97.665 0.091 -6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 93 97.677 0.389 -8.113 1.00 0.00 H new ATOM 0 HD2 LYS A 93 99.975 1.654 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 93 99.951 0.657 -6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 93 99.831 -0.327 -9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 93 101.164 -0.541 -7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 99.963 -2.541 -7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 99.487 -1.725 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 98.457 -1.758 -7.769 1.00 0.00 H new ATOM 1426 N ARG A 94 95.170 2.466 -4.704 1.00 0.00 N ATOM 1427 CA ARG A 94 94.616 1.974 -3.445 1.00 0.00 C ATOM 1428 C ARG A 94 93.173 1.549 -3.646 1.00 0.00 C ATOM 1429 O ARG A 94 92.789 0.447 -3.268 1.00 0.00 O ATOM 1430 CB ARG A 94 94.672 3.036 -2.348 1.00 0.00 C ATOM 1431 CG ARG A 94 96.109 3.189 -1.845 1.00 0.00 C ATOM 1432 CD ARG A 94 96.303 2.327 -0.596 1.00 0.00 C ATOM 1433 NE ARG A 94 97.720 2.066 -0.377 1.00 0.00 N ATOM 1434 CZ ARG A 94 98.213 1.912 0.849 1.00 0.00 C ATOM 1435 NH1 ARG A 94 97.425 1.982 1.888 1.00 0.00 N ATOM 1436 NH2 ARG A 94 99.488 1.685 1.013 1.00 0.00 N ATOM 0 H ARG A 94 95.284 3.478 -4.760 1.00 0.00 H new ATOM 0 HA ARG A 94 95.221 1.123 -3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 94 94.309 3.989 -2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 94 94.017 2.755 -1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 94 96.812 2.888 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 94 96.317 4.234 -1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 94 95.881 2.833 0.272 1.00 0.00 H new ATOM 0 HD3 ARG A 94 95.766 1.385 -0.709 1.00 0.00 H new ATOM 0 HE ARG A 94 98.346 2.000 -1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 94 96.428 2.155 1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 94 97.807 1.863 2.826 1.00 0.00 H new ATOM 0 HH21 ARG A 94 100.104 1.626 0.202 1.00 0.00 H new ATOM 0 HH22 ARG A 94 99.868 1.567 1.952 1.00 0.00 H new ATOM 1450 N LEU A 95 92.376 2.426 -4.251 1.00 0.00 N ATOM 1451 CA LEU A 95 90.979 2.110 -4.496 1.00 0.00 C ATOM 1452 C LEU A 95 90.870 1.136 -5.659 1.00 0.00 C ATOM 1453 O LEU A 95 89.944 0.343 -5.702 1.00 0.00 O ATOM 1454 CB LEU A 95 90.152 3.370 -4.786 1.00 0.00 C ATOM 1455 CG LEU A 95 89.831 4.093 -3.466 1.00 0.00 C ATOM 1456 CD1 LEU A 95 89.576 5.584 -3.722 1.00 0.00 C ATOM 1457 CD2 LEU A 95 88.576 3.470 -2.852 1.00 0.00 C ATOM 0 H LEU A 95 92.671 3.347 -4.575 1.00 0.00 H new ATOM 0 HA LEU A 95 90.575 1.652 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 95 90.704 4.034 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.229 3.101 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 95 90.678 3.990 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 95 89.350 6.082 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.464 6.034 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 95 88.732 5.697 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 95 88.340 3.975 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 95 87.740 3.578 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 95 88.752 2.412 -2.659 1.00 0.00 H new ATOM 1469 N GLN A 96 91.835 1.185 -6.588 1.00 0.00 N ATOM 1470 CA GLN A 96 91.831 0.271 -7.730 1.00 0.00 C ATOM 1471 C GLN A 96 92.353 -1.084 -7.298 1.00 0.00 C ATOM 1472 O GLN A 96 91.881 -2.112 -7.765 1.00 0.00 O ATOM 1473 CB GLN A 96 92.681 0.794 -8.891 1.00 0.00 C ATOM 1474 CG GLN A 96 92.569 -0.174 -10.070 1.00 0.00 C ATOM 1475 CD GLN A 96 93.136 0.469 -11.331 1.00 0.00 C ATOM 1476 OE1 GLN A 96 93.925 1.411 -11.248 1.00 0.00 O ATOM 1477 NE2 GLN A 96 92.779 0.016 -12.501 1.00 0.00 N ATOM 0 H GLN A 96 92.617 1.840 -6.569 1.00 0.00 H new ATOM 0 HA GLN A 96 90.802 0.189 -8.081 1.00 0.00 H new ATOM 0 HB2 GLN A 96 92.343 1.787 -9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.722 0.890 -8.581 1.00 0.00 H new ATOM 0 HG2 GLN A 96 93.109 -1.094 -9.847 1.00 0.00 H new ATOM 0 HG3 GLN A 96 91.526 -0.447 -10.229 1.00 0.00 H new ATOM 0 HE21 GLN A 96 92.125 -0.764 -12.568 1.00 0.00 H new ATOM 0 HE22 GLN A 96 93.153 0.442 -13.349 1.00 0.00 H new ATOM 1486 N LEU A 97 93.312 -1.078 -6.380 1.00 0.00 N ATOM 1487 CA LEU A 97 93.858 -2.326 -5.865 1.00 0.00 C ATOM 1488 C LEU A 97 92.826 -2.931 -4.941 1.00 0.00 C ATOM 1489 O LEU A 97 92.639 -4.141 -4.900 1.00 0.00 O ATOM 1490 CB LEU A 97 95.165 -2.105 -5.095 1.00 0.00 C ATOM 1491 CG LEU A 97 95.637 -3.432 -4.492 1.00 0.00 C ATOM 1492 CD1 LEU A 97 95.779 -4.480 -5.597 1.00 0.00 C ATOM 1493 CD2 LEU A 97 96.992 -3.224 -3.813 1.00 0.00 C ATOM 0 H LEU A 97 93.723 -0.234 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 97 94.084 -2.987 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.929 -1.705 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.014 -1.369 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 97 94.907 -3.777 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 97 96.115 -5.422 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 97 94.815 -4.628 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 97 96.508 -4.138 -6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 97 97.332 -4.166 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 97 97.718 -2.878 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 97 96.893 -2.479 -3.023 1.00 0.00 H new ATOM 1505 N GLU A 98 92.133 -2.056 -4.216 1.00 0.00 N ATOM 1506 CA GLU A 98 91.086 -2.499 -3.311 1.00 0.00 C ATOM 1507 C GLU A 98 89.868 -2.920 -4.119 1.00 0.00 C ATOM 1508 O GLU A 98 89.185 -3.858 -3.754 1.00 0.00 O ATOM 1509 CB GLU A 98 90.699 -1.394 -2.328 1.00 0.00 C ATOM 1510 CG GLU A 98 91.652 -1.416 -1.131 1.00 0.00 C ATOM 1511 CD GLU A 98 93.099 -1.464 -1.611 1.00 0.00 C ATOM 1512 OE1 GLU A 98 93.480 -2.468 -2.190 1.00 0.00 O ATOM 1513 OE2 GLU A 98 93.807 -0.495 -1.390 1.00 0.00 O ATOM 0 H GLU A 98 92.278 -1.047 -4.239 1.00 0.00 H new ATOM 0 HA GLU A 98 91.462 -3.345 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 98 90.741 -0.423 -2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 98 89.672 -1.536 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 98 91.495 -0.531 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 98 91.440 -2.282 -0.504 1.00 0.00 H new ATOM 1520 N PHE A 99 89.605 -2.216 -5.223 1.00 0.00 N ATOM 1521 CA PHE A 99 88.458 -2.550 -6.072 1.00 0.00 C ATOM 1522 C PHE A 99 88.770 -3.772 -6.917 1.00 0.00 C ATOM 1523 O PHE A 99 87.909 -4.612 -7.146 1.00 0.00 O ATOM 1524 CB PHE A 99 88.096 -1.376 -6.982 1.00 0.00 C ATOM 1525 CG PHE A 99 87.423 -1.865 -8.247 1.00 0.00 C ATOM 1526 CD1 PHE A 99 86.402 -2.821 -8.189 1.00 0.00 C ATOM 1527 CD2 PHE A 99 87.820 -1.342 -9.485 1.00 0.00 C ATOM 1528 CE1 PHE A 99 85.779 -3.252 -9.369 1.00 0.00 C ATOM 1529 CE2 PHE A 99 87.196 -1.771 -10.661 1.00 0.00 C ATOM 1530 CZ PHE A 99 86.176 -2.725 -10.604 1.00 0.00 C ATOM 0 H PHE A 99 90.160 -1.424 -5.546 1.00 0.00 H new ATOM 0 HA PHE A 99 87.608 -2.766 -5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 99 87.433 -0.691 -6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 99 88.996 -0.816 -7.236 1.00 0.00 H new ATOM 0 HD1 PHE A 99 86.094 -3.226 -7.236 1.00 0.00 H new ATOM 0 HD2 PHE A 99 88.609 -0.606 -9.531 1.00 0.00 H new ATOM 0 HE1 PHE A 99 84.993 -3.991 -9.325 1.00 0.00 H new ATOM 0 HE2 PHE A 99 87.502 -1.365 -11.614 1.00 0.00 H new ATOM 0 HZ PHE A 99 85.694 -3.056 -11.512 1.00 0.00 H new ATOM 1540 N THR A 100 90.011 -3.884 -7.365 1.00 0.00 N ATOM 1541 CA THR A 100 90.402 -5.032 -8.156 1.00 0.00 C ATOM 1542 C THR A 100 90.554 -6.223 -7.236 1.00 0.00 C ATOM 1543 O THR A 100 90.181 -7.339 -7.576 1.00 0.00 O ATOM 1544 CB THR A 100 91.721 -4.775 -8.869 1.00 0.00 C ATOM 1545 OG1 THR A 100 92.657 -4.241 -7.951 1.00 0.00 O ATOM 1546 CG2 THR A 100 91.506 -3.797 -10.024 1.00 0.00 C ATOM 0 H THR A 100 90.752 -3.204 -7.196 1.00 0.00 H new ATOM 0 HA THR A 100 89.637 -5.223 -8.908 1.00 0.00 H new ATOM 0 HB THR A 100 92.104 -5.714 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 100 92.618 -3.262 -7.977 1.00 0.00 H new ATOM 0 HG21 THR A 100 92.455 -3.617 -10.530 1.00 0.00 H new ATOM 0 HG22 THR A 100 90.792 -4.220 -10.731 1.00 0.00 H new ATOM 0 HG23 THR A 100 91.118 -2.855 -9.636 1.00 0.00 H new ATOM 1554 N GLN A 101 91.093 -5.965 -6.056 1.00 0.00 N ATOM 1555 CA GLN A 101 91.265 -7.019 -5.068 1.00 0.00 C ATOM 1556 C GLN A 101 89.902 -7.382 -4.488 1.00 0.00 C ATOM 1557 O GLN A 101 89.592 -8.548 -4.290 1.00 0.00 O ATOM 1558 CB GLN A 101 92.200 -6.560 -3.948 1.00 0.00 C ATOM 1559 CG GLN A 101 92.369 -7.690 -2.931 1.00 0.00 C ATOM 1560 CD GLN A 101 93.691 -7.532 -2.188 1.00 0.00 C ATOM 1561 OE1 GLN A 101 94.124 -8.451 -1.491 1.00 0.00 O ATOM 1562 NE2 GLN A 101 94.362 -6.419 -2.295 1.00 0.00 N ATOM 0 H GLN A 101 91.417 -5.044 -5.760 1.00 0.00 H new ATOM 0 HA GLN A 101 91.709 -7.891 -5.548 1.00 0.00 H new ATOM 0 HB2 GLN A 101 93.169 -6.280 -4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 101 91.793 -5.674 -3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 101 91.541 -7.679 -2.222 1.00 0.00 H new ATOM 0 HG3 GLN A 101 92.341 -8.654 -3.439 1.00 0.00 H new ATOM 0 HE21 GLN A 101 94.001 -5.660 -2.873 1.00 0.00 H new ATOM 0 HE22 GLN A 101 95.247 -6.308 -1.801 1.00 0.00 H new ATOM 1571 N ALA A 102 89.085 -6.367 -4.239 1.00 0.00 N ATOM 1572 CA ALA A 102 87.744 -6.582 -3.704 1.00 0.00 C ATOM 1573 C ALA A 102 86.885 -7.273 -4.739 1.00 0.00 C ATOM 1574 O ALA A 102 86.168 -8.221 -4.434 1.00 0.00 O ATOM 1575 CB ALA A 102 87.083 -5.258 -3.327 1.00 0.00 C ATOM 0 H ALA A 102 89.325 -5.388 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 102 87.835 -7.201 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 102 86.085 -5.449 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 102 87.683 -4.754 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.008 -4.624 -4.211 1.00 0.00 H new ATOM 1581 N GLU A 103 86.960 -6.782 -5.965 1.00 0.00 N ATOM 1582 CA GLU A 103 86.170 -7.353 -7.044 1.00 0.00 C ATOM 1583 C GLU A 103 86.713 -8.713 -7.460 1.00 0.00 C ATOM 1584 O GLU A 103 85.968 -9.689 -7.544 1.00 0.00 O ATOM 1585 CB GLU A 103 86.182 -6.410 -8.240 1.00 0.00 C ATOM 1586 CG GLU A 103 85.165 -6.888 -9.278 1.00 0.00 C ATOM 1587 CD GLU A 103 85.775 -6.825 -10.674 1.00 0.00 C ATOM 1588 OE1 GLU A 103 86.329 -5.791 -11.011 1.00 0.00 O ATOM 1589 OE2 GLU A 103 85.681 -7.811 -11.385 1.00 0.00 O ATOM 0 H GLU A 103 87.553 -5.998 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 103 85.148 -7.486 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 103 85.941 -5.396 -7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 103 87.179 -6.377 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 103 84.856 -7.909 -9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.270 -6.267 -9.235 1.00 0.00 H new ATOM 1596 N ARG A 104 88.010 -8.768 -7.736 1.00 0.00 N ATOM 1597 CA ARG A 104 88.639 -10.014 -8.164 1.00 0.00 C ATOM 1598 C ARG A 104 88.629 -11.064 -7.055 1.00 0.00 C ATOM 1599 O ARG A 104 88.184 -12.192 -7.266 1.00 0.00 O ATOM 1600 CB ARG A 104 90.083 -9.757 -8.592 1.00 0.00 C ATOM 1601 CG ARG A 104 90.627 -10.996 -9.309 1.00 0.00 C ATOM 1602 CD ARG A 104 91.988 -10.675 -9.926 1.00 0.00 C ATOM 1603 NE ARG A 104 92.640 -9.604 -9.181 1.00 0.00 N ATOM 1604 CZ ARG A 104 93.365 -9.865 -8.097 1.00 0.00 C ATOM 1605 NH1 ARG A 104 93.494 -11.093 -7.676 1.00 0.00 N ATOM 1606 NH2 ARG A 104 93.946 -8.889 -7.454 1.00 0.00 N ATOM 0 H ARG A 104 88.644 -7.972 -7.672 1.00 0.00 H new ATOM 0 HA ARG A 104 88.061 -10.395 -9.006 1.00 0.00 H new ATOM 0 HB2 ARG A 104 90.130 -8.891 -9.252 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.697 -9.528 -7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 104 90.721 -11.823 -8.606 1.00 0.00 H new ATOM 0 HG3 ARG A 104 89.931 -11.315 -10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 104 92.616 -11.566 -9.921 1.00 0.00 H new ATOM 0 HD3 ARG A 104 91.862 -10.379 -10.967 1.00 0.00 H new ATOM 0 HE ARG A 104 92.538 -8.639 -9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 104 93.038 -11.855 -8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 104 94.050 -11.291 -6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 104 93.843 -7.929 -7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 104 94.503 -9.086 -6.622 1.00 0.00 H new ATOM 1620 N SER A 105 89.136 -10.701 -5.879 1.00 0.00 N ATOM 1621 CA SER A 105 89.186 -11.651 -4.770 1.00 0.00 C ATOM 1622 C SER A 105 87.793 -12.156 -4.416 1.00 0.00 C ATOM 1623 O SER A 105 87.575 -13.365 -4.335 1.00 0.00 O ATOM 1624 CB SER A 105 89.831 -11.022 -3.535 1.00 0.00 C ATOM 1625 OG SER A 105 90.227 -12.054 -2.643 1.00 0.00 O ATOM 0 H SER A 105 89.511 -9.776 -5.671 1.00 0.00 H new ATOM 0 HA SER A 105 89.795 -12.495 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 105 90.694 -10.423 -3.825 1.00 0.00 H new ATOM 0 HB3 SER A 105 89.127 -10.350 -3.044 1.00 0.00 H new ATOM 0 HG SER A 105 90.643 -11.658 -1.849 1.00 0.00 H new ATOM 1631 N ILE A 106 86.849 -11.244 -4.194 1.00 0.00 N ATOM 1632 CA ILE A 106 85.494 -11.675 -3.842 1.00 0.00 C ATOM 1633 C ILE A 106 84.871 -12.485 -4.978 1.00 0.00 C ATOM 1634 O ILE A 106 84.077 -13.395 -4.738 1.00 0.00 O ATOM 1635 CB ILE A 106 84.603 -10.476 -3.513 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.173 -9.743 -2.294 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.189 -10.973 -3.195 1.00 0.00 C ATOM 1638 CD1 ILE A 106 84.321 -8.509 -1.986 1.00 0.00 C ATOM 0 H ILE A 106 86.986 -10.235 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 106 85.569 -12.306 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 106 84.569 -9.796 -4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 106 85.189 -10.410 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 106 86.204 -9.446 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 106 82.549 -10.123 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 106 82.786 -11.502 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 106 83.224 -11.648 -2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 106 84.730 -7.991 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 106 84.328 -7.838 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 106 83.297 -8.817 -1.775 1.00 0.00 H new ATOM 1650 N GLU A 107 85.233 -12.154 -6.213 1.00 0.00 N ATOM 1651 CA GLU A 107 84.696 -12.868 -7.366 1.00 0.00 C ATOM 1652 C GLU A 107 85.254 -14.284 -7.431 1.00 0.00 C ATOM 1653 O GLU A 107 84.552 -15.223 -7.809 1.00 0.00 O ATOM 1654 CB GLU A 107 85.044 -12.124 -8.657 1.00 0.00 C ATOM 1655 CG GLU A 107 84.052 -10.978 -8.868 1.00 0.00 C ATOM 1656 CD GLU A 107 82.795 -11.499 -9.556 1.00 0.00 C ATOM 1657 OE1 GLU A 107 82.932 -12.235 -10.519 1.00 0.00 O ATOM 1658 OE2 GLU A 107 81.713 -11.155 -9.109 1.00 0.00 O ATOM 0 H GLU A 107 85.888 -11.406 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 107 83.613 -12.920 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 107 86.060 -11.734 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.011 -12.809 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 107 83.793 -10.529 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 107 84.510 -10.196 -9.473 1.00 0.00 H new ATOM 1665 N ARG A 108 86.519 -14.428 -7.062 1.00 0.00 N ATOM 1666 CA ARG A 108 87.167 -15.734 -7.081 1.00 0.00 C ATOM 1667 C ARG A 108 87.619 -16.129 -5.678 1.00 0.00 C ATOM 1668 O ARG A 108 86.853 -16.711 -4.911 1.00 0.00 O ATOM 1669 CB ARG A 108 88.374 -15.706 -8.020 1.00 0.00 C ATOM 1670 CG ARG A 108 87.891 -15.601 -9.469 1.00 0.00 C ATOM 1671 CD ARG A 108 88.733 -14.566 -10.216 1.00 0.00 C ATOM 1672 NE ARG A 108 90.119 -15.011 -10.305 1.00 0.00 N ATOM 1673 CZ ARG A 108 90.491 -15.925 -11.195 1.00 0.00 C ATOM 1674 NH1 ARG A 108 89.611 -16.438 -12.010 1.00 0.00 N ATOM 1675 NH2 ARG A 108 91.737 -16.307 -11.255 1.00 0.00 N ATOM 0 H ARG A 108 87.115 -13.662 -6.747 1.00 0.00 H new ATOM 0 HA ARG A 108 86.447 -16.470 -7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 108 89.017 -14.860 -7.778 1.00 0.00 H new ATOM 0 HB3 ARG A 108 88.971 -16.608 -7.889 1.00 0.00 H new ATOM 0 HG2 ARG A 108 87.969 -16.571 -9.960 1.00 0.00 H new ATOM 0 HG3 ARG A 108 86.839 -15.315 -9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 108 88.328 -14.411 -11.216 1.00 0.00 H new ATOM 0 HD3 ARG A 108 88.684 -13.607 -9.701 1.00 0.00 H new ATOM 0 HE ARG A 108 90.815 -14.614 -9.673 1.00 0.00 H new ATOM 0 HH11 ARG A 108 88.637 -16.138 -11.964 1.00 0.00 H new ATOM 0 HH12 ARG A 108 89.897 -17.140 -12.693 1.00 0.00 H new ATOM 0 HH21 ARG A 108 92.425 -15.904 -10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 108 92.023 -17.009 -11.938 1.00 0.00 H new ATOM 1689 N GLY A 109 88.865 -15.805 -5.350 1.00 0.00 N ATOM 1690 CA GLY A 109 89.407 -16.131 -4.036 1.00 0.00 C ATOM 1691 C GLY A 109 90.860 -16.585 -4.142 1.00 0.00 C ATOM 1692 O GLY A 109 91.291 -17.483 -3.420 1.00 0.00 O ATOM 0 H GLY A 109 89.514 -15.321 -5.970 1.00 0.00 H new ATOM 0 HA2 GLY A 109 89.341 -15.259 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 109 88.809 -16.918 -3.577 1.00 0.00 H new ATOM 1696 N VAL A 110 91.604 -15.954 -5.048 1.00 0.00 N ATOM 1697 CA VAL A 110 93.010 -16.294 -5.252 1.00 0.00 C ATOM 1698 C VAL A 110 93.254 -17.777 -4.996 1.00 0.00 C ATOM 1699 O VAL A 110 93.838 -18.093 -3.973 1.00 0.00 O ATOM 1700 CB VAL A 110 93.893 -15.458 -4.320 1.00 0.00 C ATOM 1701 CG1 VAL A 110 94.216 -14.120 -4.987 1.00 0.00 C ATOM 1702 CG2 VAL A 110 93.155 -15.205 -3.003 1.00 0.00 C ATOM 1703 OXT VAL A 110 92.855 -18.575 -5.828 1.00 0.00 O ATOM 0 H VAL A 110 91.258 -15.207 -5.650 1.00 0.00 H new ATOM 0 HA VAL A 110 93.266 -16.074 -6.288 1.00 0.00 H new ATOM 0 HB VAL A 110 94.818 -15.998 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.844 -13.525 -4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 110 94.744 -14.298 -5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.290 -13.581 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 110 93.785 -14.610 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 110 92.228 -14.667 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.925 -16.158 -2.526 1.00 0.00 H new TER 1713 VAL A 110