USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 610 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 SER OG : rot -170:sc= 0.38 USER MOD Set 1.2: A 95 THR OG1 : rot -101:sc= -1.14! USER MOD Set 2.1: A 76 THR OG1 : rot 180:sc= -0.0035 USER MOD Set 2.2: A 77 ASN : amide:sc= -1.25! K(o=-1.3!,f=-0.0035) USER MOD Set 3.1: A 69 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.063) USER MOD Set 3.2: A 71 ASN : amide:sc= 0 K(o=-0.28,f=-0.98) USER MOD Set 4.1: A 24 ASN : amide:sc= -7.08! C(o=-4.8!,f=-5.4!) USER MOD Set 4.2: A 26 HIS : no HE2:sc= -0.0657 K(o=-4.8,f=-10) USER MOD Set 4.3: A 33 HIS : no HE2:sc= 1.05 K(o=-4.8,f=-13!) USER MOD Set 4.4: A 36 THR OG1 : rot 114:sc= 0.188 USER MOD Set 4.5: A 88 THR OG1 : rot -60:sc= 1.16 USER MOD Single : A 19 SER OG : rot 31:sc= 0.226 USER MOD Single : A 22 GLN : amide:sc= -8.29! K(o=-8.3!,f=-1.6) USER MOD Single : A 23 CYS SG : rot 120:sc= -4.87! USER MOD Single : A 25 HIS : no HE2:sc= -0.319 K(o=-0.32,f=-3.3!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.949 K(o=-0.95,f=-1.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 1.28 (180deg=0.104) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0771 (180deg=-0.436) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.0311 K(o=0.031,f=-10!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.454 USER MOD Single : A 70 CYS SG : rot 94:sc= -1.37 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 134:sc= -0.0569 (180deg=-0.373) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -112:sc= 0.305 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 19.614 0.656 -1.770 1.00 0.00 N ATOM 2 CA SER A 19 19.189 1.775 -2.632 1.00 0.00 C ATOM 3 C SER A 19 17.671 1.803 -2.740 1.00 0.00 C ATOM 4 O SER A 19 16.989 1.131 -1.967 1.00 0.00 O ATOM 5 CB SER A 19 19.810 1.622 -4.016 1.00 0.00 C ATOM 6 OG SER A 19 21.207 1.397 -3.923 1.00 0.00 O ATOM 0 HA SER A 19 19.526 2.713 -2.192 1.00 0.00 H new ATOM 0 HB2 SER A 19 19.338 0.791 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 19 19.621 2.520 -4.605 1.00 0.00 H new ATOM 0 HG SER A 19 21.406 0.917 -3.092 1.00 0.00 H new ATOM 14 N PHE A 20 17.144 2.585 -3.679 1.00 0.00 N ATOM 15 CA PHE A 20 15.705 2.643 -3.891 1.00 0.00 C ATOM 16 C PHE A 20 15.158 1.277 -4.290 1.00 0.00 C ATOM 17 O PHE A 20 15.737 0.569 -5.120 1.00 0.00 O ATOM 18 CB PHE A 20 15.335 3.714 -4.925 1.00 0.00 C ATOM 19 CG PHE A 20 16.087 3.620 -6.225 1.00 0.00 C ATOM 20 CD1 PHE A 20 15.600 2.852 -7.271 1.00 0.00 C ATOM 21 CD2 PHE A 20 17.274 4.313 -6.405 1.00 0.00 C ATOM 22 CE1 PHE A 20 16.282 2.775 -8.469 1.00 0.00 C ATOM 23 CE2 PHE A 20 17.962 4.237 -7.601 1.00 0.00 C ATOM 24 CZ PHE A 20 17.465 3.468 -8.634 1.00 0.00 C ATOM 0 H PHE A 20 17.690 3.182 -4.300 1.00 0.00 H new ATOM 0 HA PHE A 20 15.241 2.927 -2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.267 3.645 -5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.512 4.697 -4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.676 2.307 -7.147 1.00 0.00 H new ATOM 0 HD2 PHE A 20 17.665 4.919 -5.601 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.891 2.173 -9.276 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.888 4.779 -7.727 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.001 3.408 -9.570 1.00 0.00 H new ATOM 34 N VAL A 21 14.047 0.915 -3.676 1.00 0.00 N ATOM 35 CA VAL A 21 13.471 -0.408 -3.832 1.00 0.00 C ATOM 36 C VAL A 21 11.961 -0.321 -4.068 1.00 0.00 C ATOM 37 O VAL A 21 11.284 0.546 -3.517 1.00 0.00 O ATOM 38 CB VAL A 21 13.788 -1.271 -2.586 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.457 -0.498 -1.325 1.00 0.00 C ATOM 40 CG2 VAL A 21 13.042 -2.599 -2.604 1.00 0.00 C ATOM 0 H VAL A 21 13.519 1.529 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 21 13.915 -0.883 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 21 14.854 -1.499 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.682 -1.111 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.052 0.414 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.398 -0.241 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.295 -3.171 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.968 -2.413 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.328 -3.165 -3.490 1.00 0.00 H new ATOM 50 N GLN A 22 11.448 -1.197 -4.923 1.00 0.00 N ATOM 51 CA GLN A 22 10.019 -1.260 -5.196 1.00 0.00 C ATOM 52 C GLN A 22 9.373 -2.322 -4.312 1.00 0.00 C ATOM 53 O GLN A 22 9.968 -3.369 -4.054 1.00 0.00 O ATOM 54 CB GLN A 22 9.779 -1.551 -6.686 1.00 0.00 C ATOM 55 CG GLN A 22 10.449 -2.824 -7.188 1.00 0.00 C ATOM 56 CD GLN A 22 9.474 -3.965 -7.428 1.00 0.00 C ATOM 57 OE1 GLN A 22 9.707 -4.825 -8.275 1.00 0.00 O ATOM 58 NE2 GLN A 22 8.372 -3.980 -6.694 1.00 0.00 N ATOM 0 H GLN A 22 12.004 -1.877 -5.441 1.00 0.00 H new ATOM 0 HA GLN A 22 9.561 -0.298 -4.965 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.706 -1.624 -6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.141 -0.707 -7.273 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.977 -2.606 -8.116 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.198 -3.142 -6.462 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.211 -3.250 -6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.684 -4.722 -6.822 1.00 0.00 H new ATOM 67 N CYS A 23 8.167 -2.051 -3.836 1.00 0.00 N ATOM 68 CA CYS A 23 7.506 -2.946 -2.892 1.00 0.00 C ATOM 69 C CYS A 23 6.003 -3.020 -3.154 1.00 0.00 C ATOM 70 O CYS A 23 5.374 -2.003 -3.458 1.00 0.00 O ATOM 71 CB CYS A 23 7.725 -2.433 -1.469 1.00 0.00 C ATOM 72 SG CYS A 23 9.398 -1.840 -1.131 1.00 0.00 S ATOM 0 H CYS A 23 7.626 -1.223 -4.085 1.00 0.00 H new ATOM 0 HA CYS A 23 7.934 -3.941 -3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.021 -1.623 -1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.489 -3.234 -0.768 1.00 0.00 H new ATOM 0 HG CYS A 23 9.353 -0.588 -0.784 1.00 0.00 H new ATOM 78 N ASN A 24 5.418 -4.209 -3.033 1.00 0.00 N ATOM 79 CA ASN A 24 3.964 -4.325 -3.057 1.00 0.00 C ATOM 80 C ASN A 24 3.400 -3.783 -1.758 1.00 0.00 C ATOM 81 O ASN A 24 3.606 -4.357 -0.693 1.00 0.00 O ATOM 82 CB ASN A 24 3.489 -5.771 -3.261 1.00 0.00 C ATOM 83 CG ASN A 24 4.343 -6.788 -2.535 1.00 0.00 C ATOM 84 OD1 ASN A 24 4.149 -7.049 -1.348 1.00 0.00 O ATOM 85 ND2 ASN A 24 5.270 -7.400 -3.252 1.00 0.00 N ATOM 0 H ASN A 24 5.918 -5.091 -2.919 1.00 0.00 H new ATOM 0 HA ASN A 24 3.602 -3.746 -3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.459 -5.860 -2.917 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.490 -6.000 -4.327 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.855 -8.117 -2.824 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.400 -7.155 -4.234 1.00 0.00 H new ATOM 92 N HIS A 25 2.707 -2.667 -1.846 1.00 0.00 N ATOM 93 CA HIS A 25 2.165 -2.026 -0.666 1.00 0.00 C ATOM 94 C HIS A 25 0.877 -2.709 -0.254 1.00 0.00 C ATOM 95 O HIS A 25 -0.058 -2.828 -1.043 1.00 0.00 O ATOM 96 CB HIS A 25 1.927 -0.539 -0.916 1.00 0.00 C ATOM 97 CG HIS A 25 3.184 0.277 -0.958 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.302 -0.083 -1.679 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.500 1.437 -0.338 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.249 0.817 -1.498 1.00 0.00 C ATOM 101 NE2 HIS A 25 4.790 1.751 -0.688 1.00 0.00 N ATOM 0 H HIS A 25 2.506 -2.185 -2.722 1.00 0.00 H new ATOM 0 HA HIS A 25 2.889 -2.118 0.144 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.396 -0.419 -1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.277 -0.148 -0.133 1.00 0.00 H new ATOM 0 HD1 HIS A 25 4.384 -0.916 -2.262 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.856 2.010 0.312 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.235 0.793 -1.939 1.00 0.00 H new ATOM 110 N HIS A 26 0.849 -3.183 0.975 1.00 0.00 N ATOM 111 CA HIS A 26 -0.305 -3.899 1.490 1.00 0.00 C ATOM 112 C HIS A 26 -1.275 -2.941 2.151 1.00 0.00 C ATOM 113 O HIS A 26 -0.906 -2.211 3.071 1.00 0.00 O ATOM 114 CB HIS A 26 0.116 -4.978 2.498 1.00 0.00 C ATOM 115 CG HIS A 26 0.814 -6.156 1.887 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.523 -7.459 2.223 1.00 0.00 N ATOM 117 CD2 HIS A 26 1.803 -6.221 0.965 1.00 0.00 C ATOM 118 CE1 HIS A 26 1.299 -8.273 1.534 1.00 0.00 C ATOM 119 NE2 HIS A 26 2.084 -7.547 0.763 1.00 0.00 N ATOM 0 H HIS A 26 1.616 -3.085 1.641 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.795 -4.383 0.645 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.773 -4.527 3.242 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.770 -5.330 3.027 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -0.183 -7.750 2.900 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.282 -5.384 0.479 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.292 -9.351 1.592 1.00 0.00 H new ATOM 128 N LEU A 27 -2.508 -2.951 1.682 1.00 0.00 N ATOM 129 CA LEU A 27 -3.566 -2.189 2.311 1.00 0.00 C ATOM 130 C LEU A 27 -4.342 -3.142 3.209 1.00 0.00 C ATOM 131 O LEU A 27 -4.777 -4.216 2.772 1.00 0.00 O ATOM 132 CB LEU A 27 -4.486 -1.559 1.249 1.00 0.00 C ATOM 133 CG LEU A 27 -5.313 -0.338 1.692 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.324 -0.704 2.765 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.400 0.772 2.189 1.00 0.00 C ATOM 0 H LEU A 27 -2.801 -3.482 0.862 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.151 -1.370 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.872 -1.264 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.174 -2.327 0.895 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.864 0.017 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.888 0.184 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.008 -1.459 2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.802 -1.099 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.001 1.627 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.818 0.412 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.725 1.074 1.388 1.00 0.00 H new ATOM 147 N LEU A 28 -4.483 -2.757 4.461 1.00 0.00 N ATOM 148 CA LEU A 28 -5.067 -3.613 5.468 1.00 0.00 C ATOM 149 C LEU A 28 -6.477 -3.169 5.814 1.00 0.00 C ATOM 150 O LEU A 28 -6.728 -2.001 6.108 1.00 0.00 O ATOM 151 CB LEU A 28 -4.198 -3.611 6.727 1.00 0.00 C ATOM 152 CG LEU A 28 -3.574 -4.958 7.088 1.00 0.00 C ATOM 153 CD1 LEU A 28 -4.652 -5.990 7.382 1.00 0.00 C ATOM 154 CD2 LEU A 28 -2.657 -5.431 5.972 1.00 0.00 C ATOM 0 H LEU A 28 -4.195 -1.842 4.807 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.117 -4.624 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.399 -2.882 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.804 -3.272 7.567 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.977 -4.832 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.185 -6.941 7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.263 -5.650 8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.282 -6.119 6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.220 -6.392 6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.231 -5.540 5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.862 -4.701 5.820 1.00 0.00 H new ATOM 166 N TYR A 29 -7.387 -4.116 5.764 1.00 0.00 N ATOM 167 CA TYR A 29 -8.753 -3.894 6.188 1.00 0.00 C ATOM 168 C TYR A 29 -8.919 -4.546 7.545 1.00 0.00 C ATOM 169 O TYR A 29 -8.289 -5.569 7.807 1.00 0.00 O ATOM 170 CB TYR A 29 -9.722 -4.506 5.169 1.00 0.00 C ATOM 171 CG TYR A 29 -11.181 -4.251 5.476 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.740 -2.998 5.266 1.00 0.00 C ATOM 173 CD2 TYR A 29 -11.998 -5.260 5.969 1.00 0.00 C ATOM 174 CE1 TYR A 29 -13.071 -2.755 5.539 1.00 0.00 C ATOM 175 CE2 TYR A 29 -13.334 -5.025 6.242 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.863 -3.771 6.025 1.00 0.00 C ATOM 177 OH TYR A 29 -15.192 -3.530 6.290 1.00 0.00 O ATOM 0 H TYR A 29 -7.202 -5.061 5.429 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.972 -2.828 6.255 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.494 -4.106 4.181 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.554 -5.582 5.124 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.123 -2.199 4.882 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.584 -6.243 6.142 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.489 -1.773 5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.959 -5.820 6.623 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.612 -4.349 6.626 1.00 0.00 H new ATOM 187 N ASN A 30 -9.719 -3.942 8.418 1.00 0.00 N ATOM 188 CA ASN A 30 -9.962 -4.513 9.738 1.00 0.00 C ATOM 189 C ASN A 30 -10.494 -5.930 9.597 1.00 0.00 C ATOM 190 O ASN A 30 -11.676 -6.140 9.320 1.00 0.00 O ATOM 191 CB ASN A 30 -10.939 -3.651 10.545 1.00 0.00 C ATOM 192 CG ASN A 30 -10.311 -2.360 11.045 1.00 0.00 C ATOM 193 OD1 ASN A 30 -9.105 -2.291 11.279 1.00 0.00 O ATOM 194 ND2 ASN A 30 -11.127 -1.331 11.222 1.00 0.00 N ATOM 0 H ASN A 30 -10.206 -3.064 8.238 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.017 -4.538 10.280 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.804 -3.413 9.925 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.305 -4.225 11.396 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.761 -0.442 11.564 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.121 -1.428 11.017 1.00 0.00 H new ATOM 201 N GLY A 31 -9.603 -6.891 9.787 1.00 0.00 N ATOM 202 CA GLY A 31 -9.925 -8.277 9.556 1.00 0.00 C ATOM 203 C GLY A 31 -8.783 -9.012 8.875 1.00 0.00 C ATOM 204 O GLY A 31 -8.272 -9.995 9.411 1.00 0.00 O ATOM 0 H GLY A 31 -8.647 -6.727 10.103 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.154 -8.761 10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.821 -8.345 8.939 1.00 0.00 H new ATOM 208 N ARG A 32 -8.359 -8.510 7.712 1.00 0.00 N ATOM 209 CA ARG A 32 -7.299 -9.151 6.930 1.00 0.00 C ATOM 210 C ARG A 32 -6.886 -8.256 5.754 1.00 0.00 C ATOM 211 O ARG A 32 -7.515 -7.228 5.503 1.00 0.00 O ATOM 212 CB ARG A 32 -7.780 -10.513 6.408 1.00 0.00 C ATOM 213 CG ARG A 32 -6.664 -11.448 5.955 1.00 0.00 C ATOM 214 CD ARG A 32 -5.846 -11.958 7.130 1.00 0.00 C ATOM 215 NE ARG A 32 -6.629 -12.829 8.007 1.00 0.00 N ATOM 216 CZ ARG A 32 -6.520 -12.851 9.334 1.00 0.00 C ATOM 217 NH1 ARG A 32 -5.641 -12.072 9.953 1.00 0.00 N ATOM 218 NH2 ARG A 32 -7.286 -13.663 10.047 1.00 0.00 N ATOM 0 H ARG A 32 -8.734 -7.660 7.291 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.434 -9.302 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.354 -11.006 7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.460 -10.348 5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.093 -12.293 5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.011 -10.924 5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.979 -12.503 6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.468 -11.111 7.703 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.302 -13.461 7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.041 -11.449 9.412 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.565 -12.096 10.970 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.959 -14.271 9.580 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.203 -13.681 11.063 1.00 0.00 H new ATOM 232 N HIS A 33 -5.818 -8.646 5.057 1.00 0.00 N ATOM 233 CA HIS A 33 -5.360 -7.965 3.841 1.00 0.00 C ATOM 234 C HIS A 33 -6.515 -7.707 2.874 1.00 0.00 C ATOM 235 O HIS A 33 -7.351 -8.583 2.643 1.00 0.00 O ATOM 236 CB HIS A 33 -4.291 -8.836 3.161 1.00 0.00 C ATOM 237 CG HIS A 33 -3.846 -8.354 1.808 1.00 0.00 C ATOM 238 ND1 HIS A 33 -4.336 -8.873 0.629 1.00 0.00 N ATOM 239 CD2 HIS A 33 -2.936 -7.417 1.451 1.00 0.00 C ATOM 240 CE1 HIS A 33 -3.747 -8.280 -0.391 1.00 0.00 C ATOM 241 NE2 HIS A 33 -2.893 -7.390 0.079 1.00 0.00 N ATOM 0 H HIS A 33 -5.243 -9.446 5.319 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.942 -6.997 4.117 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.420 -8.893 3.814 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.680 -9.849 3.059 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.045 -9.603 0.557 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.352 -6.804 2.122 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.932 -8.487 -1.435 1.00 0.00 H new ATOM 250 N TRP A 34 -6.557 -6.505 2.311 1.00 0.00 N ATOM 251 CA TRP A 34 -7.597 -6.160 1.358 1.00 0.00 C ATOM 252 C TRP A 34 -7.039 -6.088 -0.065 1.00 0.00 C ATOM 253 O TRP A 34 -7.521 -6.776 -0.962 1.00 0.00 O ATOM 254 CB TRP A 34 -8.248 -4.826 1.737 1.00 0.00 C ATOM 255 CG TRP A 34 -9.527 -4.568 1.002 1.00 0.00 C ATOM 256 CD1 TRP A 34 -10.775 -4.977 1.374 1.00 0.00 C ATOM 257 CD2 TRP A 34 -9.688 -3.852 -0.227 1.00 0.00 C ATOM 258 NE1 TRP A 34 -11.699 -4.566 0.449 1.00 0.00 N ATOM 259 CE2 TRP A 34 -11.059 -3.871 -0.543 1.00 0.00 C ATOM 260 CE3 TRP A 34 -8.808 -3.194 -1.093 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -11.567 -3.265 -1.686 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -9.315 -2.592 -2.227 1.00 0.00 C ATOM 263 CH2 TRP A 34 -10.683 -2.631 -2.514 1.00 0.00 C ATOM 0 H TRP A 34 -5.886 -5.760 2.498 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.353 -6.944 1.388 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.443 -4.815 2.809 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -7.548 -4.016 1.532 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.001 -5.542 2.266 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -12.702 -4.748 0.492 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.750 -3.158 -0.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -12.623 -3.294 -1.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.644 -2.083 -2.903 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -11.049 -2.150 -3.409 1.00 0.00 H new ATOM 274 N GLY A 35 -6.015 -5.267 -0.267 1.00 0.00 N ATOM 275 CA GLY A 35 -5.446 -5.107 -1.595 1.00 0.00 C ATOM 276 C GLY A 35 -3.994 -4.704 -1.550 1.00 0.00 C ATOM 277 O GLY A 35 -3.490 -4.292 -0.503 1.00 0.00 O ATOM 0 H GLY A 35 -5.569 -4.710 0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.544 -6.043 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.013 -4.354 -2.143 1.00 0.00 H new ATOM 281 N THR A 36 -3.310 -4.851 -2.672 1.00 0.00 N ATOM 282 CA THR A 36 -1.909 -4.553 -2.747 1.00 0.00 C ATOM 283 C THR A 36 -1.529 -4.003 -4.128 1.00 0.00 C ATOM 284 O THR A 36 -1.916 -4.556 -5.160 1.00 0.00 O ATOM 285 CB THR A 36 -1.116 -5.829 -2.411 1.00 0.00 C ATOM 286 OG1 THR A 36 -0.793 -5.842 -1.016 1.00 0.00 O ATOM 287 CG2 THR A 36 0.133 -5.948 -3.250 1.00 0.00 C ATOM 0 H THR A 36 -3.717 -5.179 -3.547 1.00 0.00 H new ATOM 0 HA THR A 36 -1.663 -3.775 -2.024 1.00 0.00 H new ATOM 0 HB THR A 36 -1.742 -6.691 -2.644 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.264 -6.581 -0.578 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.665 -6.861 -2.983 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.139 -5.982 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.777 -5.087 -3.069 1.00 0.00 H new ATOM 295 N ILE A 37 -0.807 -2.887 -4.126 1.00 0.00 N ATOM 296 CA ILE A 37 -0.269 -2.300 -5.346 1.00 0.00 C ATOM 297 C ILE A 37 1.247 -2.186 -5.215 1.00 0.00 C ATOM 298 O ILE A 37 1.747 -1.690 -4.200 1.00 0.00 O ATOM 299 CB ILE A 37 -0.830 -0.875 -5.636 1.00 0.00 C ATOM 300 CG1 ILE A 37 -2.355 -0.857 -5.817 1.00 0.00 C ATOM 301 CG2 ILE A 37 -0.172 -0.290 -6.875 1.00 0.00 C ATOM 302 CD1 ILE A 37 -3.136 -0.975 -4.526 1.00 0.00 C ATOM 0 H ILE A 37 -0.579 -2.366 -3.279 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.564 -2.953 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.596 -0.269 -4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.639 0.069 -6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.641 -1.676 -6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.574 0.705 -7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.905 -0.223 -6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.374 -0.932 -7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.204 -0.954 -4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.884 -1.914 -4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.883 -0.142 -3.870 1.00 0.00 H new ATOM 314 N ARG A 38 1.986 -2.652 -6.214 1.00 0.00 N ATOM 315 CA ARG A 38 3.433 -2.502 -6.194 1.00 0.00 C ATOM 316 C ARG A 38 3.828 -1.083 -6.543 1.00 0.00 C ATOM 317 O ARG A 38 3.393 -0.530 -7.552 1.00 0.00 O ATOM 318 CB ARG A 38 4.133 -3.479 -7.138 1.00 0.00 C ATOM 319 CG ARG A 38 4.386 -4.836 -6.513 1.00 0.00 C ATOM 320 CD ARG A 38 5.555 -5.550 -7.175 1.00 0.00 C ATOM 321 NE ARG A 38 5.346 -5.748 -8.606 1.00 0.00 N ATOM 322 CZ ARG A 38 6.145 -6.473 -9.388 1.00 0.00 C ATOM 323 NH1 ARG A 38 7.199 -7.104 -8.877 1.00 0.00 N ATOM 324 NH2 ARG A 38 5.884 -6.579 -10.681 1.00 0.00 N ATOM 0 H ARG A 38 1.614 -3.129 -7.035 1.00 0.00 H new ATOM 0 HA ARG A 38 3.758 -2.732 -5.179 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.526 -3.607 -8.034 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.083 -3.050 -7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.589 -4.715 -5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.489 -5.449 -6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.466 -4.972 -7.020 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.706 -6.517 -6.695 1.00 0.00 H new ATOM 0 HE ARG A 38 4.535 -5.302 -9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.401 -7.035 -7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.805 -7.657 -9.483 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.072 -6.106 -11.078 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.495 -7.134 -11.281 1.00 0.00 H new ATOM 338 N LYS A 39 4.654 -0.502 -5.697 1.00 0.00 N ATOM 339 CA LYS A 39 5.111 0.859 -5.893 1.00 0.00 C ATOM 340 C LYS A 39 6.512 1.014 -5.327 1.00 0.00 C ATOM 341 O LYS A 39 6.897 0.312 -4.394 1.00 0.00 O ATOM 342 CB LYS A 39 4.151 1.848 -5.232 1.00 0.00 C ATOM 343 CG LYS A 39 4.324 3.282 -5.712 1.00 0.00 C ATOM 344 CD LYS A 39 4.130 3.393 -7.219 1.00 0.00 C ATOM 345 CE LYS A 39 2.740 2.941 -7.643 1.00 0.00 C ATOM 346 NZ LYS A 39 2.608 2.854 -9.121 1.00 0.00 N ATOM 0 H LYS A 39 5.025 -0.955 -4.862 1.00 0.00 H new ATOM 0 HA LYS A 39 5.135 1.075 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.126 1.531 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.296 1.816 -4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.607 3.926 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.319 3.639 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.288 4.425 -7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.880 2.788 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.525 1.967 -7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.998 3.638 -7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.646 2.543 -9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.787 3.788 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.298 2.170 -9.491 1.00 0.00 H new ATOM 360 N LYS A 40 7.258 1.937 -5.895 1.00 0.00 N ATOM 361 CA LYS A 40 8.653 2.136 -5.548 1.00 0.00 C ATOM 362 C LYS A 40 8.776 3.089 -4.364 1.00 0.00 C ATOM 363 O LYS A 40 7.941 3.976 -4.187 1.00 0.00 O ATOM 364 CB LYS A 40 9.377 2.693 -6.772 1.00 0.00 C ATOM 365 CG LYS A 40 9.078 1.901 -8.034 1.00 0.00 C ATOM 366 CD LYS A 40 9.545 2.620 -9.285 1.00 0.00 C ATOM 367 CE LYS A 40 11.050 2.801 -9.300 1.00 0.00 C ATOM 368 NZ LYS A 40 11.525 3.322 -10.610 1.00 0.00 N ATOM 0 H LYS A 40 6.915 2.574 -6.614 1.00 0.00 H new ATOM 0 HA LYS A 40 9.105 1.188 -5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.085 3.732 -6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.451 2.687 -6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.564 0.927 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.006 1.718 -8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.238 2.055 -10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.061 3.595 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.342 3.489 -8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.534 1.847 -9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.559 3.434 -10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.267 2.653 -11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.082 4.244 -10.798 1.00 0.00 H new ATOM 382 N ALA A 41 9.801 2.883 -3.545 1.00 0.00 N ATOM 383 CA ALA A 41 10.040 3.726 -2.380 1.00 0.00 C ATOM 384 C ALA A 41 10.249 5.177 -2.791 1.00 0.00 C ATOM 385 O ALA A 41 10.955 5.467 -3.757 1.00 0.00 O ATOM 386 CB ALA A 41 11.235 3.222 -1.592 1.00 0.00 C ATOM 0 H ALA A 41 10.483 2.135 -3.668 1.00 0.00 H new ATOM 0 HA ALA A 41 9.158 3.677 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.397 3.864 -0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.046 2.202 -1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.121 3.237 -2.226 1.00 0.00 H new ATOM 392 N GLY A 42 9.625 6.077 -2.048 1.00 0.00 N ATOM 393 CA GLY A 42 9.684 7.488 -2.373 1.00 0.00 C ATOM 394 C GLY A 42 8.487 7.933 -3.187 1.00 0.00 C ATOM 395 O GLY A 42 8.157 9.121 -3.231 1.00 0.00 O ATOM 0 H GLY A 42 9.074 5.854 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.733 8.070 -1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.598 7.694 -2.930 1.00 0.00 H new ATOM 399 N TRP A 43 7.835 6.974 -3.829 1.00 0.00 N ATOM 400 CA TRP A 43 6.673 7.252 -4.654 1.00 0.00 C ATOM 401 C TRP A 43 5.397 6.894 -3.904 1.00 0.00 C ATOM 402 O TRP A 43 5.328 5.866 -3.223 1.00 0.00 O ATOM 403 CB TRP A 43 6.754 6.465 -5.967 1.00 0.00 C ATOM 404 CG TRP A 43 8.011 6.733 -6.741 1.00 0.00 C ATOM 405 CD1 TRP A 43 9.229 6.147 -6.550 1.00 0.00 C ATOM 406 CD2 TRP A 43 8.176 7.652 -7.826 1.00 0.00 C ATOM 407 NE1 TRP A 43 10.141 6.648 -7.445 1.00 0.00 N ATOM 408 CE2 TRP A 43 9.521 7.573 -8.241 1.00 0.00 C ATOM 409 CE3 TRP A 43 7.318 8.536 -8.486 1.00 0.00 C ATOM 410 CZ2 TRP A 43 10.024 8.344 -9.286 1.00 0.00 C ATOM 411 CZ3 TRP A 43 7.819 9.299 -9.523 1.00 0.00 C ATOM 412 CH2 TRP A 43 9.160 9.200 -9.914 1.00 0.00 C ATOM 0 H TRP A 43 8.096 5.989 -3.792 1.00 0.00 H new ATOM 0 HA TRP A 43 6.656 8.317 -4.885 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.690 5.399 -5.749 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.893 6.716 -6.587 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.444 5.398 -5.803 1.00 0.00 H new ATOM 0 HE1 TRP A 43 11.122 6.375 -7.507 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.283 8.621 -8.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.058 8.269 -9.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.165 9.984 -10.041 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.520 9.812 -10.728 1.00 0.00 H new ATOM 423 N ALA A 44 4.400 7.759 -4.011 1.00 0.00 N ATOM 424 CA ALA A 44 3.125 7.547 -3.350 1.00 0.00 C ATOM 425 C ALA A 44 2.248 6.592 -4.157 1.00 0.00 C ATOM 426 O ALA A 44 2.293 6.584 -5.389 1.00 0.00 O ATOM 427 CB ALA A 44 2.415 8.878 -3.156 1.00 0.00 C ATOM 0 H ALA A 44 4.452 8.621 -4.554 1.00 0.00 H new ATOM 0 HA ALA A 44 3.310 7.096 -2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.459 8.711 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.033 9.534 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.244 9.344 -4.126 1.00 0.00 H new ATOM 433 N VAL A 45 1.464 5.784 -3.461 1.00 0.00 N ATOM 434 CA VAL A 45 0.542 4.856 -4.106 1.00 0.00 C ATOM 435 C VAL A 45 -0.891 5.268 -3.824 1.00 0.00 C ATOM 436 O VAL A 45 -1.164 5.934 -2.824 1.00 0.00 O ATOM 437 CB VAL A 45 0.712 3.411 -3.595 1.00 0.00 C ATOM 438 CG1 VAL A 45 0.616 2.420 -4.739 1.00 0.00 C ATOM 439 CG2 VAL A 45 2.007 3.247 -2.826 1.00 0.00 C ATOM 0 H VAL A 45 1.447 5.751 -2.442 1.00 0.00 H new ATOM 0 HA VAL A 45 0.766 4.889 -5.172 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.104 3.201 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.739 1.407 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.359 2.510 -5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.399 2.629 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.097 2.217 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.849 3.486 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.009 3.920 -1.968 1.00 0.00 H new ATOM 449 N ARG A 46 -1.806 4.859 -4.688 1.00 0.00 N ATOM 450 CA ARG A 46 -3.210 5.142 -4.471 1.00 0.00 C ATOM 451 C ARG A 46 -3.925 3.894 -3.966 1.00 0.00 C ATOM 452 O ARG A 46 -3.764 2.803 -4.514 1.00 0.00 O ATOM 453 CB ARG A 46 -3.877 5.681 -5.750 1.00 0.00 C ATOM 454 CG ARG A 46 -4.346 4.626 -6.752 1.00 0.00 C ATOM 455 CD ARG A 46 -3.199 3.830 -7.361 1.00 0.00 C ATOM 456 NE ARG A 46 -3.611 3.167 -8.597 1.00 0.00 N ATOM 457 CZ ARG A 46 -3.613 3.762 -9.791 1.00 0.00 C ATOM 458 NH1 ARG A 46 -3.195 5.014 -9.909 1.00 0.00 N ATOM 459 NH2 ARG A 46 -4.028 3.107 -10.866 1.00 0.00 N ATOM 0 H ARG A 46 -1.602 4.334 -5.539 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.288 5.919 -3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.735 6.287 -5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.173 6.344 -6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.032 3.941 -6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.906 5.114 -7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.360 4.495 -7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.850 3.086 -6.645 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.914 2.195 -8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.871 5.523 -9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.197 5.468 -10.822 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.348 2.142 -10.783 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.027 3.568 -11.776 1.00 0.00 H new ATOM 473 N PHE A 47 -4.675 4.049 -2.892 1.00 0.00 N ATOM 474 CA PHE A 47 -5.463 2.962 -2.353 1.00 0.00 C ATOM 475 C PHE A 47 -6.919 3.376 -2.298 1.00 0.00 C ATOM 476 O PHE A 47 -7.263 4.422 -1.746 1.00 0.00 O ATOM 477 CB PHE A 47 -4.968 2.558 -0.965 1.00 0.00 C ATOM 478 CG PHE A 47 -3.552 2.065 -0.958 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.259 0.758 -1.309 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.514 2.910 -0.603 1.00 0.00 C ATOM 481 CE1 PHE A 47 -1.956 0.303 -1.305 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.211 2.459 -0.598 1.00 0.00 C ATOM 483 CZ PHE A 47 -0.931 1.154 -0.949 1.00 0.00 C ATOM 0 H PHE A 47 -4.754 4.924 -2.374 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.357 2.095 -3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.050 3.414 -0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.618 1.778 -0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.058 0.088 -1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.727 3.932 -0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.739 -0.719 -1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.409 3.127 -0.319 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.089 0.800 -0.945 1.00 0.00 H new ATOM 493 N TYR A 48 -7.763 2.558 -2.881 1.00 0.00 N ATOM 494 CA TYR A 48 -9.176 2.857 -2.996 1.00 0.00 C ATOM 495 C TYR A 48 -9.973 1.575 -2.894 1.00 0.00 C ATOM 496 O TYR A 48 -9.451 0.491 -3.150 1.00 0.00 O ATOM 497 CB TYR A 48 -9.456 3.549 -4.337 1.00 0.00 C ATOM 498 CG TYR A 48 -8.896 2.800 -5.528 1.00 0.00 C ATOM 499 CD1 TYR A 48 -9.603 1.761 -6.115 1.00 0.00 C ATOM 500 CD2 TYR A 48 -7.652 3.126 -6.054 1.00 0.00 C ATOM 501 CE1 TYR A 48 -9.090 1.069 -7.191 1.00 0.00 C ATOM 502 CE2 TYR A 48 -7.132 2.436 -7.132 1.00 0.00 C ATOM 503 CZ TYR A 48 -7.855 1.408 -7.695 1.00 0.00 C ATOM 504 OH TYR A 48 -7.340 0.717 -8.768 1.00 0.00 O ATOM 0 H TYR A 48 -7.492 1.664 -3.291 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.472 3.527 -2.188 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.533 3.662 -4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.031 4.552 -4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.572 1.490 -5.722 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.083 3.931 -5.613 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.655 0.264 -7.637 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.164 2.701 -7.531 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.461 1.082 -9.001 1.00 0.00 H new ATOM 514 N GLU A 49 -11.224 1.696 -2.509 1.00 0.00 N ATOM 515 CA GLU A 49 -12.096 0.546 -2.447 1.00 0.00 C ATOM 516 C GLU A 49 -13.059 0.564 -3.627 1.00 0.00 C ATOM 517 O GLU A 49 -13.766 1.547 -3.852 1.00 0.00 O ATOM 518 CB GLU A 49 -12.867 0.523 -1.128 1.00 0.00 C ATOM 519 CG GLU A 49 -13.839 1.678 -0.972 1.00 0.00 C ATOM 520 CD GLU A 49 -14.594 1.633 0.336 1.00 0.00 C ATOM 521 OE1 GLU A 49 -15.518 0.800 0.470 1.00 0.00 O ATOM 522 OE2 GLU A 49 -14.264 2.426 1.236 1.00 0.00 O ATOM 0 H GLU A 49 -11.659 2.577 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.488 -0.357 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.416 -0.416 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.157 0.543 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.293 2.619 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.550 1.663 -1.798 1.00 0.00 H new ATOM 529 N GLU A 50 -13.058 -0.503 -4.403 1.00 0.00 N ATOM 530 CA GLU A 50 -13.996 -0.624 -5.500 1.00 0.00 C ATOM 531 C GLU A 50 -15.028 -1.695 -5.184 1.00 0.00 C ATOM 532 O GLU A 50 -14.761 -2.893 -5.253 1.00 0.00 O ATOM 533 CB GLU A 50 -13.275 -0.907 -6.827 1.00 0.00 C ATOM 534 CG GLU A 50 -12.256 -2.037 -6.773 1.00 0.00 C ATOM 535 CD GLU A 50 -11.638 -2.312 -8.127 1.00 0.00 C ATOM 536 OE1 GLU A 50 -10.926 -1.428 -8.652 1.00 0.00 O ATOM 537 OE2 GLU A 50 -11.878 -3.401 -8.688 1.00 0.00 O ATOM 0 H GLU A 50 -12.422 -1.293 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.514 0.328 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.021 -1.145 -7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.770 0.003 -7.151 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.470 -1.782 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.739 -2.942 -6.405 1.00 0.00 H new ATOM 544 N LYS A 51 -16.202 -1.241 -4.792 1.00 0.00 N ATOM 545 CA LYS A 51 -17.302 -2.128 -4.474 1.00 0.00 C ATOM 546 C LYS A 51 -18.251 -2.172 -5.662 1.00 0.00 C ATOM 547 O LYS A 51 -18.746 -1.133 -6.087 1.00 0.00 O ATOM 548 CB LYS A 51 -18.034 -1.623 -3.224 1.00 0.00 C ATOM 549 CG LYS A 51 -17.131 -1.418 -2.013 1.00 0.00 C ATOM 550 CD LYS A 51 -16.599 -2.734 -1.476 1.00 0.00 C ATOM 551 CE LYS A 51 -15.652 -2.517 -0.304 1.00 0.00 C ATOM 552 NZ LYS A 51 -16.282 -1.728 0.789 1.00 0.00 N ATOM 0 H LYS A 51 -16.419 -0.250 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.927 -3.131 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.526 -0.679 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.818 -2.334 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.296 -0.774 -2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.686 -0.904 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.432 -3.363 -1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.079 -3.269 -2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.332 -3.483 0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.757 -2.001 -0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.826 -1.962 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.166 -0.713 0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.295 -1.957 0.843 1.00 0.00 H new ATOM 566 N PRO A 52 -18.493 -3.365 -6.227 1.00 0.00 N ATOM 567 CA PRO A 52 -19.319 -3.528 -7.429 1.00 0.00 C ATOM 568 C PRO A 52 -20.650 -2.789 -7.328 1.00 0.00 C ATOM 569 O PRO A 52 -21.486 -3.102 -6.478 1.00 0.00 O ATOM 570 CB PRO A 52 -19.548 -5.045 -7.518 1.00 0.00 C ATOM 571 CG PRO A 52 -19.020 -5.617 -6.243 1.00 0.00 C ATOM 572 CD PRO A 52 -17.986 -4.651 -5.746 1.00 0.00 C ATOM 0 HA PRO A 52 -18.831 -3.111 -8.310 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -20.607 -5.273 -7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.030 -5.468 -8.379 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -19.819 -5.742 -5.512 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.584 -6.602 -6.410 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -17.900 -4.672 -4.660 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -16.997 -4.873 -6.148 1.00 0.00 H new ATOM 580 N GLY A 53 -20.834 -1.811 -8.201 1.00 0.00 N ATOM 581 CA GLY A 53 -22.047 -1.015 -8.191 1.00 0.00 C ATOM 582 C GLY A 53 -21.813 0.379 -7.644 1.00 0.00 C ATOM 583 O GLY A 53 -22.506 1.329 -8.008 1.00 0.00 O ATOM 0 H GLY A 53 -20.161 -1.552 -8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.441 -0.944 -9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.804 -1.517 -7.589 1.00 0.00 H new ATOM 587 N GLN A 54 -20.827 0.503 -6.771 1.00 0.00 N ATOM 588 CA GLN A 54 -20.503 1.776 -6.146 1.00 0.00 C ATOM 589 C GLN A 54 -19.197 2.322 -6.710 1.00 0.00 C ATOM 590 O GLN A 54 -18.314 1.558 -7.099 1.00 0.00 O ATOM 591 CB GLN A 54 -20.373 1.599 -4.630 1.00 0.00 C ATOM 592 CG GLN A 54 -21.648 1.115 -3.960 1.00 0.00 C ATOM 593 CD GLN A 54 -21.465 0.880 -2.472 1.00 0.00 C ATOM 594 OE1 GLN A 54 -21.656 1.783 -1.655 1.00 0.00 O ATOM 595 NE2 GLN A 54 -21.105 -0.340 -2.109 1.00 0.00 N ATOM 0 H GLN A 54 -20.231 -0.271 -6.476 1.00 0.00 H new ATOM 0 HA GLN A 54 -21.306 2.482 -6.358 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.572 0.889 -4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -20.078 2.550 -4.186 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -22.438 1.850 -4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -21.976 0.190 -4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -20.957 -1.060 -2.816 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -20.976 -0.561 -1.122 1.00 0.00 H new ATOM 604 N PRO A 55 -19.060 3.655 -6.775 1.00 0.00 N ATOM 605 CA PRO A 55 -17.819 4.295 -7.214 1.00 0.00 C ATOM 606 C PRO A 55 -16.696 4.072 -6.209 1.00 0.00 C ATOM 607 O PRO A 55 -16.947 3.905 -5.013 1.00 0.00 O ATOM 608 CB PRO A 55 -18.182 5.775 -7.286 1.00 0.00 C ATOM 609 CG PRO A 55 -19.327 5.935 -6.348 1.00 0.00 C ATOM 610 CD PRO A 55 -20.095 4.643 -6.418 1.00 0.00 C ATOM 0 HA PRO A 55 -17.457 3.894 -8.161 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -17.341 6.403 -6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -18.458 6.065 -8.300 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -18.978 6.128 -5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -19.954 6.779 -6.636 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -20.569 4.404 -5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -20.887 4.685 -7.166 1.00 0.00 H new ATOM 618 N LYS A 56 -15.462 4.080 -6.688 1.00 0.00 N ATOM 619 CA LYS A 56 -14.323 3.791 -5.829 1.00 0.00 C ATOM 620 C LYS A 56 -13.980 5.001 -4.972 1.00 0.00 C ATOM 621 O LYS A 56 -13.999 6.143 -5.441 1.00 0.00 O ATOM 622 CB LYS A 56 -13.094 3.323 -6.632 1.00 0.00 C ATOM 623 CG LYS A 56 -12.530 4.343 -7.616 1.00 0.00 C ATOM 624 CD LYS A 56 -13.330 4.392 -8.905 1.00 0.00 C ATOM 625 CE LYS A 56 -12.663 5.285 -9.941 1.00 0.00 C ATOM 626 NZ LYS A 56 -11.320 4.775 -10.331 1.00 0.00 N ATOM 0 H LYS A 56 -15.224 4.282 -7.659 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.610 2.968 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.307 3.046 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.362 2.422 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.527 5.330 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.493 4.094 -7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.437 3.384 -9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.334 4.761 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.297 5.351 -10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.566 6.295 -9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.031 5.211 -11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.629 5.015 -9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.360 3.742 -10.445 1.00 0.00 H new ATOM 640 N ARG A 57 -13.689 4.744 -3.711 1.00 0.00 N ATOM 641 CA ARG A 57 -13.370 5.798 -2.769 1.00 0.00 C ATOM 642 C ARG A 57 -11.918 5.693 -2.346 1.00 0.00 C ATOM 643 O ARG A 57 -11.423 4.596 -2.090 1.00 0.00 O ATOM 644 CB ARG A 57 -14.278 5.711 -1.542 1.00 0.00 C ATOM 645 CG ARG A 57 -13.992 6.789 -0.512 1.00 0.00 C ATOM 646 CD ARG A 57 -14.862 6.644 0.722 1.00 0.00 C ATOM 647 NE ARG A 57 -14.628 5.380 1.421 1.00 0.00 N ATOM 648 CZ ARG A 57 -14.830 5.200 2.725 1.00 0.00 C ATOM 649 NH1 ARG A 57 -15.277 6.196 3.479 1.00 0.00 N ATOM 650 NH2 ARG A 57 -14.598 4.015 3.268 1.00 0.00 N ATOM 0 H ARG A 57 -13.667 3.805 -3.313 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.532 6.760 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.318 5.788 -1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.158 4.732 -1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.942 6.744 -0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.157 7.770 -0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.667 7.474 1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.911 6.708 0.434 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.289 4.587 0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.468 7.106 3.061 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.430 6.051 4.477 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.266 3.244 2.688 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.751 3.873 4.266 1.00 0.00 H new ATOM 664 N LEU A 58 -11.246 6.832 -2.274 1.00 0.00 N ATOM 665 CA LEU A 58 -9.850 6.873 -1.869 1.00 0.00 C ATOM 666 C LEU A 58 -9.738 6.587 -0.384 1.00 0.00 C ATOM 667 O LEU A 58 -10.136 7.399 0.450 1.00 0.00 O ATOM 668 CB LEU A 58 -9.226 8.231 -2.205 1.00 0.00 C ATOM 669 CG LEU A 58 -8.247 8.217 -3.380 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.922 9.637 -3.813 1.00 0.00 C ATOM 671 CD2 LEU A 58 -6.969 7.478 -3.002 1.00 0.00 C ATOM 0 H LEU A 58 -11.648 7.744 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.303 6.108 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.026 8.937 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.706 8.604 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.717 7.694 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.224 9.611 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.838 10.143 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.471 10.177 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.284 7.478 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.498 7.976 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.210 6.450 -2.730 1.00 0.00 H new ATOM 683 N VAL A 59 -9.214 5.419 -0.062 1.00 0.00 N ATOM 684 CA VAL A 59 -9.128 4.990 1.320 1.00 0.00 C ATOM 685 C VAL A 59 -7.773 5.348 1.914 1.00 0.00 C ATOM 686 O VAL A 59 -7.623 5.392 3.136 1.00 0.00 O ATOM 687 CB VAL A 59 -9.379 3.475 1.469 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.704 3.095 0.830 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.237 2.667 0.871 1.00 0.00 C ATOM 0 H VAL A 59 -8.842 4.752 -0.738 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.910 5.518 1.866 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.427 3.240 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.868 2.023 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.513 3.639 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.683 3.350 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.442 1.603 0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.142 2.901 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.307 2.917 1.382 1.00 0.00 H new ATOM 699 N ALA A 60 -6.789 5.590 1.046 1.00 0.00 N ATOM 700 CA ALA A 60 -5.465 5.994 1.486 1.00 0.00 C ATOM 701 C ALA A 60 -4.550 6.322 0.320 1.00 0.00 C ATOM 702 O ALA A 60 -4.594 5.690 -0.732 1.00 0.00 O ATOM 703 CB ALA A 60 -4.828 4.904 2.331 1.00 0.00 C ATOM 0 H ALA A 60 -6.891 5.511 0.034 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.593 6.897 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.837 5.225 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.448 4.713 3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.741 3.991 1.742 1.00 0.00 H new ATOM 709 N ILE A 61 -3.741 7.335 0.515 1.00 0.00 N ATOM 710 CA ILE A 61 -2.606 7.593 -0.353 1.00 0.00 C ATOM 711 C ILE A 61 -1.354 7.358 0.475 1.00 0.00 C ATOM 712 O ILE A 61 -1.095 8.098 1.421 1.00 0.00 O ATOM 713 CB ILE A 61 -2.580 9.037 -0.915 1.00 0.00 C ATOM 714 CG1 ILE A 61 -3.860 9.360 -1.697 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.364 9.223 -1.807 1.00 0.00 C ATOM 716 CD1 ILE A 61 -5.010 9.806 -0.824 1.00 0.00 C ATOM 0 H ILE A 61 -3.846 8.005 1.277 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.671 6.930 -1.216 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.522 9.725 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.643 10.142 -2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.164 8.477 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.352 10.240 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.458 9.046 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.409 8.516 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.879 10.016 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.255 9.016 -0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.726 10.707 -0.281 1.00 0.00 H new ATOM 728 N CYS A 62 -0.591 6.328 0.156 1.00 0.00 N ATOM 729 CA CYS A 62 0.456 5.894 1.060 1.00 0.00 C ATOM 730 C CYS A 62 1.767 5.721 0.326 1.00 0.00 C ATOM 731 O CYS A 62 1.780 5.415 -0.857 1.00 0.00 O ATOM 732 CB CYS A 62 0.052 4.583 1.735 1.00 0.00 C ATOM 733 SG CYS A 62 0.984 4.219 3.249 1.00 0.00 S ATOM 0 H CYS A 62 -0.674 5.787 -0.704 1.00 0.00 H new ATOM 0 HA CYS A 62 0.593 6.662 1.822 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.011 4.621 1.974 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.190 3.764 1.029 1.00 0.00 H new ATOM 738 N LYS A 63 2.864 5.933 1.023 1.00 0.00 N ATOM 739 CA LYS A 63 4.182 5.749 0.446 1.00 0.00 C ATOM 740 C LYS A 63 5.129 5.215 1.507 1.00 0.00 C ATOM 741 O LYS A 63 4.830 5.276 2.696 1.00 0.00 O ATOM 742 CB LYS A 63 4.707 7.067 -0.122 1.00 0.00 C ATOM 743 CG LYS A 63 5.007 8.116 0.932 1.00 0.00 C ATOM 744 CD LYS A 63 5.491 9.403 0.295 1.00 0.00 C ATOM 745 CE LYS A 63 4.337 10.257 -0.205 1.00 0.00 C ATOM 746 NZ LYS A 63 4.809 11.580 -0.686 1.00 0.00 N ATOM 0 H LYS A 63 2.870 6.235 1.997 1.00 0.00 H new ATOM 0 HA LYS A 63 4.116 5.030 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.615 6.869 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.973 7.468 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.111 8.312 1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.764 7.739 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.075 9.970 1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.156 9.169 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.822 9.737 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.612 10.397 0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.997 12.138 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.279 12.085 0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.482 11.445 -1.468 1.00 0.00 H new ATOM 760 N ASN A 64 6.255 4.672 1.082 1.00 0.00 N ATOM 761 CA ASN A 64 7.215 4.110 2.020 1.00 0.00 C ATOM 762 C ASN A 64 8.008 5.217 2.701 1.00 0.00 C ATOM 763 O ASN A 64 8.394 6.185 2.050 1.00 0.00 O ATOM 764 CB ASN A 64 8.155 3.136 1.306 1.00 0.00 C ATOM 765 CG ASN A 64 9.204 2.550 2.230 1.00 0.00 C ATOM 766 OD1 ASN A 64 8.958 1.568 2.925 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.386 3.141 2.233 1.00 0.00 N ATOM 0 H ASN A 64 6.528 4.607 0.101 1.00 0.00 H new ATOM 0 HA ASN A 64 6.667 3.560 2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.569 2.327 0.869 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.649 3.652 0.483 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.134 2.783 2.827 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.551 3.955 1.641 1.00 0.00 H new ATOM 774 N ALA A 65 8.220 5.062 4.012 1.00 0.00 N ATOM 775 CA ALA A 65 8.893 6.063 4.848 1.00 0.00 C ATOM 776 C ALA A 65 10.090 6.699 4.152 1.00 0.00 C ATOM 777 O ALA A 65 10.135 7.915 3.959 1.00 0.00 O ATOM 778 CB ALA A 65 9.346 5.422 6.153 1.00 0.00 C ATOM 0 H ALA A 65 7.927 4.232 4.527 1.00 0.00 H new ATOM 0 HA ALA A 65 8.171 6.856 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.845 6.168 6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.480 5.030 6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.038 4.608 5.937 1.00 0.00 H new ATOM 784 N SER A 66 11.042 5.869 3.770 1.00 0.00 N ATOM 785 CA SER A 66 12.243 6.336 3.109 1.00 0.00 C ATOM 786 C SER A 66 12.074 6.261 1.595 1.00 0.00 C ATOM 787 O SER A 66 11.509 5.299 1.070 1.00 0.00 O ATOM 788 CB SER A 66 13.444 5.487 3.553 1.00 0.00 C ATOM 789 OG SER A 66 14.620 5.819 2.829 1.00 0.00 O ATOM 0 H SER A 66 11.004 4.859 3.908 1.00 0.00 H new ATOM 0 HA SER A 66 12.421 7.375 3.387 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.619 5.634 4.619 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.215 4.431 3.411 1.00 0.00 H new ATOM 0 HG SER A 66 15.363 5.261 3.139 1.00 0.00 H new ATOM 795 N PRO A 67 12.538 7.293 0.875 1.00 0.00 N ATOM 796 CA PRO A 67 12.595 7.274 -0.587 1.00 0.00 C ATOM 797 C PRO A 67 13.711 6.364 -1.097 1.00 0.00 C ATOM 798 O PRO A 67 13.904 6.208 -2.303 1.00 0.00 O ATOM 799 CB PRO A 67 12.880 8.731 -0.951 1.00 0.00 C ATOM 800 CG PRO A 67 13.593 9.283 0.235 1.00 0.00 C ATOM 801 CD PRO A 67 13.022 8.571 1.431 1.00 0.00 C ATOM 0 HA PRO A 67 11.679 6.887 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.492 8.802 -1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.958 9.278 -1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.667 9.115 0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.443 10.360 0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.777 8.413 2.202 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.213 9.141 1.889 1.00 0.00 H new ATOM 809 N VAL A 68 14.453 5.782 -0.162 1.00 0.00 N ATOM 810 CA VAL A 68 15.530 4.870 -0.495 1.00 0.00 C ATOM 811 C VAL A 68 15.096 3.427 -0.252 1.00 0.00 C ATOM 812 O VAL A 68 14.668 2.737 -1.170 1.00 0.00 O ATOM 813 CB VAL A 68 16.802 5.166 0.324 1.00 0.00 C ATOM 814 CG1 VAL A 68 17.975 4.375 -0.222 1.00 0.00 C ATOM 815 CG2 VAL A 68 17.112 6.655 0.326 1.00 0.00 C ATOM 0 H VAL A 68 14.323 5.930 0.839 1.00 0.00 H new ATOM 0 HA VAL A 68 15.762 5.013 -1.550 1.00 0.00 H new ATOM 0 HB VAL A 68 16.626 4.859 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.866 4.594 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.754 3.309 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.149 4.653 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.014 6.838 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.268 6.996 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.277 7.200 0.767 1.00 0.00 H new ATOM 825 N HIS A 69 15.162 2.991 0.998 1.00 0.00 N ATOM 826 CA HIS A 69 14.859 1.603 1.324 1.00 0.00 C ATOM 827 C HIS A 69 13.523 1.485 2.034 1.00 0.00 C ATOM 828 O HIS A 69 12.976 2.471 2.529 1.00 0.00 O ATOM 829 CB HIS A 69 15.971 0.946 2.154 1.00 0.00 C ATOM 830 CG HIS A 69 16.366 1.681 3.399 1.00 0.00 C ATOM 831 ND1 HIS A 69 16.087 1.217 4.667 1.00 0.00 N ATOM 832 CD2 HIS A 69 17.056 2.834 3.568 1.00 0.00 C ATOM 833 CE1 HIS A 69 16.590 2.050 5.558 1.00 0.00 C ATOM 834 NE2 HIS A 69 17.182 3.038 4.917 1.00 0.00 N ATOM 0 H HIS A 69 15.420 3.571 1.797 1.00 0.00 H new ATOM 0 HA HIS A 69 14.797 1.065 0.378 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.648 -0.057 2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.853 0.834 1.524 1.00 0.00 H new ATOM 0 HD2 HIS A 69 17.436 3.474 2.785 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.527 1.941 6.631 1.00 0.00 H new ATOM 0 HE2 HIS A 69 17.657 3.827 5.355 1.00 0.00 H new ATOM 843 N CYS A 70 13.032 0.263 2.110 1.00 0.00 N ATOM 844 CA CYS A 70 11.666 0.001 2.541 1.00 0.00 C ATOM 845 C CYS A 70 11.583 -0.299 4.034 1.00 0.00 C ATOM 846 O CYS A 70 12.238 -1.210 4.542 1.00 0.00 O ATOM 847 CB CYS A 70 11.115 -1.173 1.738 1.00 0.00 C ATOM 848 SG CYS A 70 12.330 -2.487 1.452 1.00 0.00 S ATOM 0 H CYS A 70 13.564 -0.575 1.876 1.00 0.00 H new ATOM 0 HA CYS A 70 11.071 0.897 2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.256 -1.591 2.263 1.00 0.00 H new ATOM 0 HB3 CYS A 70 10.754 -0.808 0.777 1.00 0.00 H new ATOM 0 HG CYS A 70 12.217 -3.392 2.378 1.00 0.00 H new ATOM 854 N ASN A 71 10.757 0.478 4.725 1.00 0.00 N ATOM 855 CA ASN A 71 10.622 0.369 6.174 1.00 0.00 C ATOM 856 C ASN A 71 9.153 0.233 6.554 1.00 0.00 C ATOM 857 O ASN A 71 8.642 -0.871 6.738 1.00 0.00 O ATOM 858 CB ASN A 71 11.204 1.600 6.890 1.00 0.00 C ATOM 859 CG ASN A 71 12.634 1.920 6.501 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.422 1.038 6.167 1.00 0.00 O ATOM 861 ND2 ASN A 71 12.976 3.198 6.543 1.00 0.00 N ATOM 0 H ASN A 71 10.167 1.195 4.303 1.00 0.00 H new ATOM 0 HA ASN A 71 11.177 -0.515 6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.577 2.465 6.672 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.159 1.436 7.967 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.923 3.481 6.293 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.292 3.900 6.826 1.00 0.00 H new ATOM 868 N TYR A 72 8.479 1.376 6.649 1.00 0.00 N ATOM 869 CA TYR A 72 7.071 1.423 7.018 1.00 0.00 C ATOM 870 C TYR A 72 6.322 2.290 6.021 1.00 0.00 C ATOM 871 O TYR A 72 6.939 2.922 5.158 1.00 0.00 O ATOM 872 CB TYR A 72 6.901 1.998 8.429 1.00 0.00 C ATOM 873 CG TYR A 72 7.720 1.289 9.482 1.00 0.00 C ATOM 874 CD1 TYR A 72 7.317 0.065 9.996 1.00 0.00 C ATOM 875 CD2 TYR A 72 8.905 1.840 9.952 1.00 0.00 C ATOM 876 CE1 TYR A 72 8.070 -0.588 10.952 1.00 0.00 C ATOM 877 CE2 TYR A 72 9.664 1.191 10.905 1.00 0.00 C ATOM 878 CZ TYR A 72 9.242 -0.022 11.401 1.00 0.00 C ATOM 879 OH TYR A 72 10.000 -0.674 12.347 1.00 0.00 O ATOM 0 H TYR A 72 8.893 2.291 6.473 1.00 0.00 H new ATOM 0 HA TYR A 72 6.669 0.410 7.006 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.177 3.052 8.417 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.848 1.948 8.707 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.400 -0.384 9.643 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.238 2.792 9.566 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.741 -1.538 11.346 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.584 1.632 11.260 1.00 0.00 H new ATOM 0 HH TYR A 72 10.795 -0.140 12.554 1.00 0.00 H new ATOM 889 N LEU A 73 5.007 2.333 6.143 1.00 0.00 N ATOM 890 CA LEU A 73 4.187 3.066 5.194 1.00 0.00 C ATOM 891 C LEU A 73 3.572 4.314 5.817 1.00 0.00 C ATOM 892 O LEU A 73 2.940 4.254 6.871 1.00 0.00 O ATOM 893 CB LEU A 73 3.081 2.170 4.634 1.00 0.00 C ATOM 894 CG LEU A 73 3.555 0.988 3.785 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.377 0.334 3.078 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.607 1.438 2.783 1.00 0.00 C ATOM 0 H LEU A 73 4.485 1.871 6.887 1.00 0.00 H new ATOM 0 HA LEU A 73 4.842 3.383 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.494 1.784 5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.412 2.783 4.030 1.00 0.00 H new ATOM 0 HG LEU A 73 4.009 0.248 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.732 -0.504 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.663 -0.026 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.891 1.063 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.932 0.584 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.183 2.197 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.462 1.856 3.315 1.00 0.00 H new ATOM 908 N LYS A 74 3.771 5.443 5.151 1.00 0.00 N ATOM 909 CA LYS A 74 3.172 6.709 5.550 1.00 0.00 C ATOM 910 C LYS A 74 2.006 7.032 4.629 1.00 0.00 C ATOM 911 O LYS A 74 2.199 7.358 3.457 1.00 0.00 O ATOM 912 CB LYS A 74 4.202 7.843 5.505 1.00 0.00 C ATOM 913 CG LYS A 74 5.004 8.012 6.788 1.00 0.00 C ATOM 914 CD LYS A 74 5.842 6.788 7.109 1.00 0.00 C ATOM 915 CE LYS A 74 6.559 6.940 8.439 1.00 0.00 C ATOM 916 NZ LYS A 74 5.609 7.116 9.569 1.00 0.00 N ATOM 0 H LYS A 74 4.354 5.507 4.316 1.00 0.00 H new ATOM 0 HA LYS A 74 2.815 6.615 6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.891 7.659 4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.686 8.778 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.655 8.881 6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.323 8.211 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.203 5.905 7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.573 6.628 6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.178 6.061 8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.230 7.798 8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.890 6.499 10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.623 8.107 9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.649 6.865 9.258 1.00 0.00 H new ATOM 930 N CYS A 75 0.800 6.915 5.154 1.00 0.00 N ATOM 931 CA CYS A 75 -0.394 7.104 4.352 1.00 0.00 C ATOM 932 C CYS A 75 -1.163 8.344 4.795 1.00 0.00 C ATOM 933 O CYS A 75 -1.083 8.753 5.955 1.00 0.00 O ATOM 934 CB CYS A 75 -1.297 5.876 4.467 1.00 0.00 C ATOM 935 SG CYS A 75 -0.413 4.297 4.722 1.00 0.00 S ATOM 0 H CYS A 75 0.622 6.690 6.133 1.00 0.00 H new ATOM 0 HA CYS A 75 -0.087 7.240 3.315 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.989 6.027 5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.898 5.798 3.561 1.00 0.00 H new ATOM 940 N THR A 76 -1.890 8.944 3.865 1.00 0.00 N ATOM 941 CA THR A 76 -2.760 10.065 4.173 1.00 0.00 C ATOM 942 C THR A 76 -4.176 9.771 3.674 1.00 0.00 C ATOM 943 O THR A 76 -4.366 8.911 2.808 1.00 0.00 O ATOM 944 CB THR A 76 -2.236 11.380 3.546 1.00 0.00 C ATOM 945 OG1 THR A 76 -3.035 12.491 3.970 1.00 0.00 O ATOM 946 CG2 THR A 76 -2.247 11.306 2.028 1.00 0.00 C ATOM 0 H THR A 76 -1.893 8.669 2.883 1.00 0.00 H new ATOM 0 HA THR A 76 -2.774 10.197 5.255 1.00 0.00 H new ATOM 0 HB THR A 76 -1.209 11.519 3.884 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.690 13.315 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.874 12.243 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.609 10.485 1.699 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.266 11.136 1.679 1.00 0.00 H new ATOM 954 N ASN A 77 -5.158 10.478 4.235 1.00 0.00 N ATOM 955 CA ASN A 77 -6.572 10.300 3.882 1.00 0.00 C ATOM 956 C ASN A 77 -7.053 8.895 4.217 1.00 0.00 C ATOM 957 O ASN A 77 -7.812 8.292 3.461 1.00 0.00 O ATOM 958 CB ASN A 77 -6.822 10.606 2.400 1.00 0.00 C ATOM 959 CG ASN A 77 -6.796 12.090 2.094 1.00 0.00 C ATOM 960 OD1 ASN A 77 -7.822 12.769 2.169 1.00 0.00 O ATOM 961 ND2 ASN A 77 -5.630 12.603 1.734 1.00 0.00 N ATOM 0 H ASN A 77 -4.998 11.191 4.947 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.143 11.011 4.479 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.066 10.102 1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.789 10.196 2.107 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.558 13.595 1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.804 12.007 1.684 1.00 0.00 H new ATOM 968 N LEU A 78 -6.613 8.389 5.364 1.00 0.00 N ATOM 969 CA LEU A 78 -6.997 7.058 5.822 1.00 0.00 C ATOM 970 C LEU A 78 -8.502 6.972 6.041 1.00 0.00 C ATOM 971 O LEU A 78 -9.110 7.874 6.623 1.00 0.00 O ATOM 972 CB LEU A 78 -6.257 6.705 7.116 1.00 0.00 C ATOM 973 CG LEU A 78 -4.749 6.503 6.971 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.107 6.305 8.335 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.458 5.315 6.070 1.00 0.00 C ATOM 0 H LEU A 78 -5.986 8.884 5.998 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.720 6.341 5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.433 7.498 7.843 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.691 5.793 7.527 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.322 7.396 6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.033 6.162 8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.289 7.184 8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.538 5.427 8.816 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.380 5.184 5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.897 4.415 6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.889 5.492 5.084 1.00 0.00 H new ATOM 987 N ALA A 79 -9.097 5.888 5.564 1.00 0.00 N ATOM 988 CA ALA A 79 -10.537 5.690 5.671 1.00 0.00 C ATOM 989 C ALA A 79 -10.895 4.906 6.931 1.00 0.00 C ATOM 990 O ALA A 79 -11.743 4.009 6.897 1.00 0.00 O ATOM 991 CB ALA A 79 -11.068 4.982 4.432 1.00 0.00 C ATOM 0 H ALA A 79 -8.603 5.128 5.097 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.008 6.670 5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.145 4.841 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.857 5.586 3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.583 4.011 4.332 1.00 0.00 H new ATOM 997 N ALA A 80 -10.225 5.250 8.030 1.00 0.00 N ATOM 998 CA ALA A 80 -10.471 4.650 9.345 1.00 0.00 C ATOM 999 C ALA A 80 -10.160 3.156 9.365 1.00 0.00 C ATOM 1000 O ALA A 80 -9.064 2.747 9.754 1.00 0.00 O ATOM 1001 CB ALA A 80 -11.903 4.899 9.790 1.00 0.00 C ATOM 0 H ALA A 80 -9.491 5.958 8.035 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.792 5.133 10.048 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.064 4.445 10.768 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.083 5.972 9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.590 4.458 9.068 1.00 0.00 H new ATOM 1007 N GLY A 81 -11.129 2.347 8.953 1.00 0.00 N ATOM 1008 CA GLY A 81 -10.926 0.915 8.889 1.00 0.00 C ATOM 1009 C GLY A 81 -9.985 0.532 7.770 1.00 0.00 C ATOM 1010 O GLY A 81 -9.429 -0.565 7.757 1.00 0.00 O ATOM 0 H GLY A 81 -12.055 2.661 8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.524 0.562 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.885 0.418 8.744 1.00 0.00 H new ATOM 1014 N PHE A 82 -9.814 1.446 6.828 1.00 0.00 N ATOM 1015 CA PHE A 82 -8.875 1.253 5.739 1.00 0.00 C ATOM 1016 C PHE A 82 -7.554 1.932 6.062 1.00 0.00 C ATOM 1017 O PHE A 82 -7.462 3.162 6.104 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.436 1.815 4.436 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.661 1.103 3.939 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -11.922 1.521 4.323 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -10.549 0.022 3.079 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -13.051 0.875 3.860 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -11.674 -0.628 2.612 1.00 0.00 C ATOM 1024 CZ PHE A 82 -12.927 -0.201 3.003 1.00 0.00 C ATOM 0 H PHE A 82 -10.317 2.333 6.798 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.710 0.183 5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.675 2.869 4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.663 1.765 3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.025 2.362 4.993 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.571 -0.316 2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -14.030 1.211 4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.574 -1.469 1.942 1.00 0.00 H new ATOM 0 HZ PHE A 82 -13.809 -0.707 2.639 1.00 0.00 H new ATOM 1034 N SER A 83 -6.543 1.127 6.319 1.00 0.00 N ATOM 1035 CA SER A 83 -5.206 1.620 6.590 1.00 0.00 C ATOM 1036 C SER A 83 -4.208 0.710 5.898 1.00 0.00 C ATOM 1037 O SER A 83 -4.572 -0.363 5.448 1.00 0.00 O ATOM 1038 CB SER A 83 -4.949 1.644 8.096 1.00 0.00 C ATOM 1039 OG SER A 83 -5.996 2.316 8.777 1.00 0.00 O ATOM 0 H SER A 83 -6.625 0.111 6.346 1.00 0.00 H new ATOM 0 HA SER A 83 -5.100 2.637 6.213 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.862 0.624 8.470 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.000 2.140 8.299 1.00 0.00 H new ATOM 0 HG SER A 83 -5.812 2.318 9.740 1.00 0.00 H new ATOM 1045 N ALA A 84 -2.962 1.123 5.802 1.00 0.00 N ATOM 1046 CA ALA A 84 -1.967 0.306 5.127 1.00 0.00 C ATOM 1047 C ALA A 84 -1.074 -0.387 6.145 1.00 0.00 C ATOM 1048 O ALA A 84 -0.975 0.039 7.298 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.142 1.138 4.158 1.00 0.00 C ATOM 0 H ALA A 84 -2.614 2.006 6.176 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.487 -0.457 4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.406 0.501 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.798 1.579 3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.630 1.931 4.704 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.420 -1.453 5.708 1.00 0.00 N ATOM 1056 CA GLY A 85 0.360 -2.266 6.614 1.00 0.00 C ATOM 1057 C GLY A 85 1.838 -2.270 6.280 1.00 0.00 C ATOM 1058 O GLY A 85 2.574 -1.373 6.686 1.00 0.00 O ATOM 0 H GLY A 85 -0.417 -1.769 4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.224 -1.900 7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.015 -3.289 6.591 1.00 0.00 H new ATOM 1062 N THR A 86 2.266 -3.273 5.530 1.00 0.00 N ATOM 1063 CA THR A 86 3.675 -3.458 5.222 1.00 0.00 C ATOM 1064 C THR A 86 3.840 -3.873 3.757 1.00 0.00 C ATOM 1065 O THR A 86 2.901 -3.755 2.965 1.00 0.00 O ATOM 1066 CB THR A 86 4.292 -4.523 6.168 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.721 -4.559 6.048 1.00 0.00 O ATOM 1068 CG2 THR A 86 3.722 -5.907 5.881 1.00 0.00 C ATOM 0 H THR A 86 1.652 -3.977 5.120 1.00 0.00 H new ATOM 0 HA THR A 86 4.201 -2.516 5.376 1.00 0.00 H new ATOM 0 HB THR A 86 4.032 -4.237 7.187 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.994 -5.408 5.641 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.172 -6.633 6.558 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.642 -5.894 6.029 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.944 -6.185 4.851 1.00 0.00 H new ATOM 1076 N SER A 87 5.030 -4.325 3.392 1.00 0.00 N ATOM 1077 CA SER A 87 5.298 -4.787 2.038 1.00 0.00 C ATOM 1078 C SER A 87 6.066 -6.108 2.081 1.00 0.00 C ATOM 1079 O SER A 87 6.891 -6.322 2.968 1.00 0.00 O ATOM 1080 CB SER A 87 6.083 -3.725 1.270 1.00 0.00 C ATOM 1081 OG SER A 87 5.367 -2.498 1.231 1.00 0.00 O ATOM 0 H SER A 87 5.832 -4.382 4.020 1.00 0.00 H new ATOM 0 HA SER A 87 4.353 -4.955 1.521 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.053 -3.570 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.275 -4.072 0.255 1.00 0.00 H new ATOM 0 HG SER A 87 5.887 -1.831 0.736 1.00 0.00 H new ATOM 1087 N THR A 88 5.790 -6.990 1.126 1.00 0.00 N ATOM 1088 CA THR A 88 6.364 -8.332 1.125 1.00 0.00 C ATOM 1089 C THR A 88 6.770 -8.747 -0.286 1.00 0.00 C ATOM 1090 O THR A 88 7.020 -7.896 -1.138 1.00 0.00 O ATOM 1091 CB THR A 88 5.362 -9.365 1.670 1.00 0.00 C ATOM 1092 OG1 THR A 88 4.149 -9.326 0.906 1.00 0.00 O ATOM 1093 CG2 THR A 88 5.055 -9.113 3.140 1.00 0.00 C ATOM 0 H THR A 88 5.170 -6.799 0.339 1.00 0.00 H new ATOM 0 HA THR A 88 7.243 -8.305 1.769 1.00 0.00 H new ATOM 0 HB THR A 88 5.815 -10.352 1.580 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.752 -8.432 0.968 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.344 -9.859 3.496 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.975 -9.182 3.721 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.626 -8.118 3.257 1.00 0.00 H new ATOM 1101 N ASP A 89 6.850 -10.061 -0.498 1.00 0.00 N ATOM 1102 CA ASP A 89 7.090 -10.676 -1.806 1.00 0.00 C ATOM 1103 C ASP A 89 8.432 -10.271 -2.396 1.00 0.00 C ATOM 1104 O ASP A 89 9.395 -11.023 -2.321 1.00 0.00 O ATOM 1105 CB ASP A 89 5.953 -10.358 -2.779 1.00 0.00 C ATOM 1106 CG ASP A 89 6.164 -10.978 -4.145 1.00 0.00 C ATOM 1107 OD1 ASP A 89 5.990 -12.205 -4.280 1.00 0.00 O ATOM 1108 OD2 ASP A 89 6.501 -10.237 -5.090 1.00 0.00 O ATOM 0 H ASP A 89 6.747 -10.744 0.252 1.00 0.00 H new ATOM 0 HA ASP A 89 7.120 -11.754 -1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.012 -10.718 -2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.862 -9.277 -2.885 1.00 0.00 H new ATOM 1113 N VAL A 90 8.503 -9.080 -2.958 1.00 0.00 N ATOM 1114 CA VAL A 90 9.728 -8.609 -3.573 1.00 0.00 C ATOM 1115 C VAL A 90 10.792 -8.301 -2.518 1.00 0.00 C ATOM 1116 O VAL A 90 11.984 -8.265 -2.819 1.00 0.00 O ATOM 1117 CB VAL A 90 9.492 -7.368 -4.464 1.00 0.00 C ATOM 1118 CG1 VAL A 90 8.891 -7.785 -5.792 1.00 0.00 C ATOM 1119 CG2 VAL A 90 8.573 -6.365 -3.785 1.00 0.00 C ATOM 0 H VAL A 90 7.726 -8.421 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 90 10.087 -9.416 -4.212 1.00 0.00 H new ATOM 0 HB VAL A 90 10.458 -6.892 -4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.729 -6.903 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.572 -8.466 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.939 -8.286 -5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.428 -5.504 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.610 -6.833 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.022 -6.037 -2.847 1.00 0.00 H new ATOM 1129 N LEU A 91 10.353 -8.083 -1.283 1.00 0.00 N ATOM 1130 CA LEU A 91 11.273 -7.750 -0.197 1.00 0.00 C ATOM 1131 C LEU A 91 11.785 -9.003 0.493 1.00 0.00 C ATOM 1132 O LEU A 91 12.988 -9.241 0.583 1.00 0.00 O ATOM 1133 CB LEU A 91 10.576 -6.863 0.836 1.00 0.00 C ATOM 1134 CG LEU A 91 9.868 -5.644 0.264 1.00 0.00 C ATOM 1135 CD1 LEU A 91 9.521 -4.659 1.367 1.00 0.00 C ATOM 1136 CD2 LEU A 91 10.738 -5.006 -0.798 1.00 0.00 C ATOM 0 H LEU A 91 9.372 -8.130 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 91 12.117 -7.216 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 91 9.848 -7.466 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.316 -6.527 1.563 1.00 0.00 H new ATOM 0 HG LEU A 91 8.931 -5.954 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.015 -3.794 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.864 -5.140 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.434 -4.334 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.231 -4.133 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 91 11.686 -4.701 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 91 10.924 -5.725 -1.596 1.00 0.00 H new ATOM 1148 N SER A 92 10.852 -9.803 0.966 1.00 0.00 N ATOM 1149 CA SER A 92 11.186 -10.979 1.763 1.00 0.00 C ATOM 1150 C SER A 92 11.361 -12.231 0.908 1.00 0.00 C ATOM 1151 O SER A 92 12.151 -13.113 1.246 1.00 0.00 O ATOM 1152 CB SER A 92 10.110 -11.201 2.824 1.00 0.00 C ATOM 1153 OG SER A 92 8.825 -10.874 2.316 1.00 0.00 O ATOM 0 H SER A 92 9.853 -9.665 0.815 1.00 0.00 H new ATOM 0 HA SER A 92 12.145 -10.792 2.245 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.123 -12.241 3.150 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.326 -10.590 3.700 1.00 0.00 H new ATOM 0 HG SER A 92 8.175 -10.870 3.049 1.00 0.00 H new ATOM 1159 N SER A 93 10.607 -12.303 -0.189 1.00 0.00 N ATOM 1160 CA SER A 93 10.672 -13.422 -1.137 1.00 0.00 C ATOM 1161 C SER A 93 10.109 -14.716 -0.539 1.00 0.00 C ATOM 1162 O SER A 93 10.068 -15.752 -1.203 1.00 0.00 O ATOM 1163 CB SER A 93 12.107 -13.631 -1.627 1.00 0.00 C ATOM 1164 OG SER A 93 12.611 -12.450 -2.232 1.00 0.00 O ATOM 0 H SER A 93 9.930 -11.585 -0.449 1.00 0.00 H new ATOM 0 HA SER A 93 10.045 -13.162 -1.990 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.744 -13.916 -0.790 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.135 -14.452 -2.343 1.00 0.00 H new ATOM 0 HG SER A 93 13.530 -12.605 -2.536 1.00 0.00 H new ATOM 1170 N GLY A 94 9.668 -14.642 0.711 1.00 0.00 N ATOM 1171 CA GLY A 94 9.046 -15.783 1.356 1.00 0.00 C ATOM 1172 C GLY A 94 7.568 -15.552 1.572 1.00 0.00 C ATOM 1173 O GLY A 94 6.947 -16.149 2.451 1.00 0.00 O ATOM 0 H GLY A 94 9.731 -13.806 1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.192 -16.673 0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.531 -15.971 2.314 1.00 0.00 H new ATOM 1177 N THR A 95 7.014 -14.666 0.767 1.00 0.00 N ATOM 1178 CA THR A 95 5.610 -14.314 0.846 1.00 0.00 C ATOM 1179 C THR A 95 4.975 -14.403 -0.537 1.00 0.00 C ATOM 1180 O THR A 95 5.683 -14.443 -1.543 1.00 0.00 O ATOM 1181 CB THR A 95 5.440 -12.894 1.400 1.00 0.00 C ATOM 1182 OG1 THR A 95 6.593 -12.114 1.067 1.00 0.00 O ATOM 1183 CG2 THR A 95 5.268 -12.906 2.903 1.00 0.00 C ATOM 0 H THR A 95 7.526 -14.169 0.038 1.00 0.00 H new ATOM 0 HA THR A 95 5.115 -15.014 1.519 1.00 0.00 H new ATOM 0 HB THR A 95 4.545 -12.460 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.178 -12.044 1.850 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.150 -11.884 3.264 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.383 -13.487 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.147 -13.355 3.366 1.00 0.00 H new ATOM 1191 N VAL A 96 3.652 -14.438 -0.590 1.00 0.00 N ATOM 1192 CA VAL A 96 2.948 -14.552 -1.859 1.00 0.00 C ATOM 1193 C VAL A 96 2.461 -13.186 -2.334 1.00 0.00 C ATOM 1194 O VAL A 96 1.497 -12.636 -1.794 1.00 0.00 O ATOM 1195 CB VAL A 96 1.747 -15.518 -1.755 1.00 0.00 C ATOM 1196 CG1 VAL A 96 1.078 -15.705 -3.111 1.00 0.00 C ATOM 1197 CG2 VAL A 96 2.186 -16.860 -1.187 1.00 0.00 C ATOM 0 H VAL A 96 3.045 -14.389 0.228 1.00 0.00 H new ATOM 0 HA VAL A 96 3.656 -14.954 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 96 1.018 -15.077 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.236 -16.389 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.721 -14.742 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.798 -16.117 -3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.326 -17.526 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.939 -17.302 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.608 -16.714 -0.193 1.00 0.00 H new ATOM 1207 N GLY A 97 3.152 -12.633 -3.326 1.00 0.00 N ATOM 1208 CA GLY A 97 2.739 -11.372 -3.913 1.00 0.00 C ATOM 1209 C GLY A 97 1.439 -11.502 -4.676 1.00 0.00 C ATOM 1210 O GLY A 97 1.181 -12.535 -5.301 1.00 0.00 O ATOM 0 H GLY A 97 3.994 -13.038 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.625 -10.626 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.519 -11.011 -4.584 1.00 0.00 H new ATOM 1214 N SER A 98 0.624 -10.460 -4.628 1.00 0.00 N ATOM 1215 CA SER A 98 -0.688 -10.491 -5.247 1.00 0.00 C ATOM 1216 C SER A 98 -0.609 -9.973 -6.683 1.00 0.00 C ATOM 1217 O SER A 98 -0.517 -8.743 -6.874 1.00 0.00 O ATOM 1218 CB SER A 98 -1.672 -9.656 -4.419 1.00 0.00 C ATOM 1219 OG SER A 98 -3.019 -9.995 -4.715 1.00 0.00 O ATOM 1220 OXT SER A 98 -0.630 -10.808 -7.614 1.00 0.00 O ATOM 0 H SER A 98 0.851 -9.580 -4.165 1.00 0.00 H new ATOM 0 HA SER A 98 -1.045 -11.520 -5.278 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.481 -9.813 -3.357 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.510 -8.597 -4.619 1.00 0.00 H new ATOM 0 HG SER A 98 -3.622 -9.447 -4.170 1.00 0.00 H new TER 1226 SER A 98