USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1030 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: B 23 SER OG : rot 106:sc= 0.887 USER MOD Set 1.2: B 74 LYS NZ :NH3+ -163:sc= 0.16 (180deg=-0.68) USER MOD Set 2.1: B 20 THR OG1 : rot 70:sc= -3.21! USER MOD Set 2.2: B 68 SER OG : rot 56:sc= -2.03! USER MOD Set 3.1: B 21 GLN :FLIP amide:sc= -3.87! C(o=-7.1!,f=-4.9!) USER MOD Set 3.2: B 24 SER OG : rot 2:sc= -1.07! USER MOD Set 4.1: A 20 THR OG1 : rot 57:sc= -3.19! USER MOD Set 4.2: A 68 SER OG : rot 58:sc= -1.98! USER MOD Set 5.1: A 23 SER OG : rot 104:sc= 0.875 USER MOD Set 5.2: A 74 LYS NZ :NH3+ -160:sc= 0.172 (180deg=-0.724) USER MOD Set 6.1: A 21 GLN :FLIP amide:sc= -3.73! C(o=-6.9!,f=-4.7!) USER MOD Set 6.2: A 24 SER OG : rot 2:sc= -0.966! USER MOD Set 7.1: A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0202) USER MOD Set 7.2: B 1 ASP N :NH3+ -116:sc= 0.0879 (180deg=-0.006) USER MOD Set 8.1: A 1 ASP N :NH3+ -124:sc= 0.0907 (180deg=-0.00748) USER MOD Set 8.2: B 11 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00684) USER MOD Single : A 2 GLN : amide:sc= -4.8! C(o=-4.8!,f=-6.4!) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0397 USER MOD Single : A 12 TYR OH : rot -77:sc= -2.04 USER MOD Single : A 13 ASN :FLIP amide:sc= -14.6! C(o=-21!,f=-15!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.622 F(o=-7.5!,f=-0.62) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.513 USER MOD Single : A 40 SER OG : rot 35:sc= 0.327 USER MOD Single : A 41 SER OG : rot 133:sc= 1.23 USER MOD Single : A 64 THR OG1 : rot -48:sc= 0.165 USER MOD Single : A 66 THR OG1 : rot -58:sc= -3.32! USER MOD Single : A 67 SER OG : rot -143:sc= -1.51! USER MOD Single : A 70 THR OG1 : rot -166:sc= 2.43 USER MOD Single : B 2 GLN : amide:sc= -4.97! C(o=-5!,f=-6.4!) USER MOD Single : B 4 SER OG : rot 180:sc= -0.028 USER MOD Single : B 12 TYR OH : rot -77:sc= -2.12 USER MOD Single : B 13 ASN :FLIP amide:sc= -14.5! C(o=-21!,f=-14!) USER MOD Single : B 27 ASN :FLIP amide:sc= -0.591 F(o=-7.4!,f=-0.59) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 180:sc= -0.498 USER MOD Single : B 40 SER OG : rot 39:sc= 0.346 USER MOD Single : B 41 SER OG : rot 101:sc= 1.06 USER MOD Single : B 64 THR OG1 : rot -50:sc= 0.154 USER MOD Single : B 66 THR OG1 : rot -73:sc= -3.41! USER MOD Single : B 67 SER OG : rot -138:sc= -1.7! USER MOD Single : B 70 THR OG1 : rot 179:sc= 2.28 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -6.345 14.042 -0.901 1.00 0.00 N ATOM 2 CA ASP A 1 -7.803 13.786 -0.776 1.00 0.00 C ATOM 3 C ASP A 1 -8.262 12.753 -1.799 1.00 0.00 C ATOM 4 O ASP A 1 -7.448 12.164 -2.510 1.00 0.00 O ATOM 5 CB ASP A 1 -8.585 15.086 -0.969 1.00 0.00 C ATOM 6 CG ASP A 1 -8.447 15.639 -2.374 1.00 0.00 C ATOM 7 OD1 ASP A 1 -7.481 16.389 -2.626 1.00 0.00 O ATOM 8 OD2 ASP A 1 -9.308 15.323 -3.222 1.00 0.00 O ATOM 0 H1 ASP A 1 -5.882 13.868 0.014 1.00 0.00 H new ATOM 0 H2 ASP A 1 -5.941 13.407 -1.619 1.00 0.00 H new ATOM 0 H3 ASP A 1 -6.189 15.030 -1.186 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.995 13.395 0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.639 14.909 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.233 15.829 -0.253 1.00 0.00 H new ATOM 15 N GLN A 2 -9.573 12.538 -1.867 1.00 0.00 N ATOM 16 CA GLN A 2 -10.142 11.578 -2.805 1.00 0.00 C ATOM 17 C GLN A 2 -11.503 12.077 -3.323 1.00 0.00 C ATOM 18 O GLN A 2 -12.376 12.443 -2.537 1.00 0.00 O ATOM 19 CB GLN A 2 -10.262 10.193 -2.128 1.00 0.00 C ATOM 20 CG GLN A 2 -11.678 9.792 -1.732 1.00 0.00 C ATOM 21 CD GLN A 2 -12.247 10.661 -0.627 1.00 0.00 C ATOM 22 OE1 GLN A 2 -11.510 11.188 0.207 1.00 0.00 O ATOM 23 NE2 GLN A 2 -13.567 10.813 -0.614 1.00 0.00 N ATOM 0 H GLN A 2 -10.260 13.016 -1.284 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.481 11.477 -3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.862 9.438 -2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -9.635 10.185 -1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.326 9.853 -2.606 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.679 8.752 -1.407 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.140 10.358 -1.325 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -14.007 11.385 0.107 1.00 0.00 H new ATOM 32 N PRO A 3 -11.687 12.156 -4.655 1.00 0.00 N ATOM 33 CA PRO A 3 -12.942 12.598 -5.254 1.00 0.00 C ATOM 34 C PRO A 3 -13.900 11.432 -5.480 1.00 0.00 C ATOM 35 O PRO A 3 -15.108 11.617 -5.629 1.00 0.00 O ATOM 36 CB PRO A 3 -12.505 13.197 -6.600 1.00 0.00 C ATOM 37 CG PRO A 3 -11.052 12.846 -6.773 1.00 0.00 C ATOM 38 CD PRO A 3 -10.697 11.860 -5.691 1.00 0.00 C ATOM 0 HA PRO A 3 -13.478 13.301 -4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.102 12.792 -7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.646 14.278 -6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.876 12.415 -7.758 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.430 13.738 -6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.771 10.830 -6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.678 12.002 -5.331 1.00 0.00 H new ATOM 46 N SER A 4 -13.335 10.232 -5.500 1.00 0.00 N ATOM 47 CA SER A 4 -14.090 9.004 -5.709 1.00 0.00 C ATOM 48 C SER A 4 -13.169 7.818 -5.506 1.00 0.00 C ATOM 49 O SER A 4 -12.002 8.000 -5.187 1.00 0.00 O ATOM 50 CB SER A 4 -14.656 8.962 -7.122 1.00 0.00 C ATOM 51 OG SER A 4 -15.594 7.910 -7.269 1.00 0.00 O ATOM 0 H SER A 4 -12.334 10.083 -5.371 1.00 0.00 H new ATOM 0 HA SER A 4 -14.915 8.968 -4.998 1.00 0.00 H new ATOM 0 HB2 SER A 4 -15.134 9.914 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.844 8.831 -7.838 1.00 0.00 H new ATOM 0 HG SER A 4 -15.942 7.908 -8.185 1.00 0.00 H new ATOM 57 N VAL A 5 -13.674 6.606 -5.687 1.00 0.00 N ATOM 58 CA VAL A 5 -12.830 5.434 -5.525 1.00 0.00 C ATOM 59 C VAL A 5 -11.856 5.316 -6.699 1.00 0.00 C ATOM 60 O VAL A 5 -10.647 5.209 -6.501 1.00 0.00 O ATOM 61 CB VAL A 5 -13.645 4.123 -5.374 1.00 0.00 C ATOM 62 CG1 VAL A 5 -15.120 4.411 -5.116 1.00 0.00 C ATOM 63 CG2 VAL A 5 -13.456 3.204 -6.582 1.00 0.00 C ATOM 0 H VAL A 5 -14.643 6.411 -5.941 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.273 5.572 -4.598 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.258 3.596 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.662 3.471 -5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.223 4.989 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.531 4.979 -5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.041 2.295 -6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.790 3.716 -7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.402 2.945 -6.681 1.00 0.00 H new ATOM 73 N GLY A 6 -12.390 5.346 -7.922 1.00 0.00 N ATOM 74 CA GLY A 6 -11.549 5.235 -9.099 1.00 0.00 C ATOM 75 C GLY A 6 -10.657 6.447 -9.268 1.00 0.00 C ATOM 76 O GLY A 6 -9.465 6.320 -9.564 1.00 0.00 O ATOM 0 H GLY A 6 -13.387 5.445 -8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.934 4.338 -9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.175 5.118 -9.984 1.00 0.00 H new ATOM 80 N ASP A 7 -11.235 7.628 -9.076 1.00 0.00 N ATOM 81 CA ASP A 7 -10.479 8.868 -9.185 1.00 0.00 C ATOM 82 C ASP A 7 -9.382 8.881 -8.141 1.00 0.00 C ATOM 83 O ASP A 7 -8.274 9.361 -8.388 1.00 0.00 O ATOM 84 CB ASP A 7 -11.395 10.073 -8.984 1.00 0.00 C ATOM 85 CG ASP A 7 -12.460 10.180 -10.059 1.00 0.00 C ATOM 86 OD1 ASP A 7 -13.465 9.444 -9.975 1.00 0.00 O ATOM 87 OD2 ASP A 7 -12.289 11.002 -10.985 1.00 0.00 O ATOM 0 H ASP A 7 -12.221 7.751 -8.845 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.040 8.928 -10.181 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.875 10.002 -8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.796 10.984 -8.979 1.00 0.00 H new ATOM 92 N ALA A 8 -9.707 8.351 -6.968 1.00 0.00 N ATOM 93 CA ALA A 8 -8.752 8.271 -5.883 1.00 0.00 C ATOM 94 C ALA A 8 -7.493 7.598 -6.359 1.00 0.00 C ATOM 95 O ALA A 8 -6.396 8.100 -6.143 1.00 0.00 O ATOM 96 CB ALA A 8 -9.323 7.491 -4.723 1.00 0.00 C ATOM 0 H ALA A 8 -10.628 7.971 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.527 9.285 -5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.588 7.444 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.225 7.985 -4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.569 6.481 -5.050 1.00 0.00 H new ATOM 102 N PHE A 9 -7.660 6.448 -7.008 1.00 0.00 N ATOM 103 CA PHE A 9 -6.531 5.711 -7.512 1.00 0.00 C ATOM 104 C PHE A 9 -5.618 6.620 -8.323 1.00 0.00 C ATOM 105 O PHE A 9 -4.436 6.685 -8.056 1.00 0.00 O ATOM 106 CB PHE A 9 -6.978 4.484 -8.294 1.00 0.00 C ATOM 107 CG PHE A 9 -7.155 3.316 -7.383 1.00 0.00 C ATOM 108 CD1 PHE A 9 -8.356 3.125 -6.733 1.00 0.00 C ATOM 109 CD2 PHE A 9 -6.116 2.430 -7.144 1.00 0.00 C ATOM 110 CE1 PHE A 9 -8.527 2.073 -5.865 1.00 0.00 C ATOM 111 CE2 PHE A 9 -6.284 1.377 -6.270 1.00 0.00 C ATOM 112 CZ PHE A 9 -7.492 1.200 -5.631 1.00 0.00 C ATOM 0 H PHE A 9 -8.567 6.018 -7.191 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.950 5.343 -6.666 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.915 4.696 -8.809 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.240 4.246 -9.060 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.172 3.810 -6.908 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.169 2.565 -7.645 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.475 1.933 -5.367 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.470 0.692 -6.086 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.625 0.375 -4.946 1.00 0.00 H new ATOM 122 N ASP A 10 -6.171 7.402 -9.243 1.00 0.00 N ATOM 123 CA ASP A 10 -5.336 8.291 -10.058 1.00 0.00 C ATOM 124 C ASP A 10 -4.318 9.004 -9.167 1.00 0.00 C ATOM 125 O ASP A 10 -3.105 8.960 -9.408 1.00 0.00 O ATOM 126 CB ASP A 10 -6.204 9.315 -10.791 1.00 0.00 C ATOM 127 CG ASP A 10 -5.383 10.264 -11.643 1.00 0.00 C ATOM 128 OD1 ASP A 10 -4.944 11.307 -11.115 1.00 0.00 O ATOM 129 OD2 ASP A 10 -5.182 9.964 -12.838 1.00 0.00 O ATOM 0 H ASP A 10 -7.170 7.443 -9.444 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.805 7.694 -10.800 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.922 8.793 -11.423 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.778 9.888 -10.063 1.00 0.00 H new ATOM 134 N LYS A 11 -4.831 9.626 -8.116 1.00 0.00 N ATOM 135 CA LYS A 11 -4.004 10.336 -7.141 1.00 0.00 C ATOM 136 C LYS A 11 -3.084 9.349 -6.441 1.00 0.00 C ATOM 137 O LYS A 11 -1.875 9.550 -6.319 1.00 0.00 O ATOM 138 CB LYS A 11 -4.903 10.997 -6.113 1.00 0.00 C ATOM 139 CG LYS A 11 -4.247 12.123 -5.370 1.00 0.00 C ATOM 140 CD LYS A 11 -4.818 13.388 -5.893 1.00 0.00 C ATOM 141 CE LYS A 11 -3.936 14.591 -5.601 1.00 0.00 C ATOM 142 NZ LYS A 11 -3.747 14.798 -4.139 1.00 0.00 N ATOM 0 H LYS A 11 -5.830 9.655 -7.912 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.406 11.092 -7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.795 11.375 -6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.234 10.245 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.428 12.034 -4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.167 12.101 -5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.961 13.300 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.802 13.548 -5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.965 14.453 -6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.382 15.484 -6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.211 15.675 -3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.675 14.870 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.222 13.994 -3.740 1.00 0.00 H new ATOM 156 N TYR A 12 -3.714 8.283 -5.986 1.00 0.00 N ATOM 157 CA TYR A 12 -3.078 7.177 -5.295 1.00 0.00 C ATOM 158 C TYR A 12 -1.806 6.744 -6.001 1.00 0.00 C ATOM 159 O TYR A 12 -0.710 6.895 -5.479 1.00 0.00 O ATOM 160 CB TYR A 12 -4.062 6.017 -5.360 1.00 0.00 C ATOM 161 CG TYR A 12 -4.399 5.313 -4.078 1.00 0.00 C ATOM 162 CD1 TYR A 12 -4.893 6.008 -2.981 1.00 0.00 C ATOM 163 CD2 TYR A 12 -4.278 3.931 -3.986 1.00 0.00 C ATOM 164 CE1 TYR A 12 -5.244 5.345 -1.821 1.00 0.00 C ATOM 165 CE2 TYR A 12 -4.637 3.270 -2.834 1.00 0.00 C ATOM 166 CZ TYR A 12 -5.113 3.974 -1.760 1.00 0.00 C ATOM 167 OH TYR A 12 -5.455 3.296 -0.619 1.00 0.00 O ATOM 0 H TYR A 12 -4.721 8.159 -6.091 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.823 7.472 -4.277 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.991 6.389 -5.792 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.662 5.277 -6.053 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.004 7.081 -3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.898 3.371 -4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.617 5.895 -0.970 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.543 2.196 -2.777 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.747 3.403 0.050 1.00 0.00 H new ATOM 177 N ASN A 13 -1.994 6.263 -7.226 1.00 0.00 N ATOM 178 CA ASN A 13 -0.920 5.740 -8.056 1.00 0.00 C ATOM 179 C ASN A 13 0.315 6.616 -8.021 1.00 0.00 C ATOM 180 O ASN A 13 1.386 6.176 -7.611 1.00 0.00 O ATOM 181 CB ASN A 13 -1.385 5.616 -9.503 1.00 0.00 C ATOM 182 CG ASN A 13 -2.882 5.388 -9.668 1.00 0.00 C ATOM 183 OD1 ASN A 13 -3.520 4.710 -8.711 1.00 0.00 O flip ATOM 184 ND2 ASN A 13 -3.467 5.820 -10.660 1.00 0.00 N flip ATOM 0 H ASN A 13 -2.910 6.226 -7.674 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.660 4.762 -7.651 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.107 6.523 -10.040 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.851 4.791 -9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.950 6.334 -11.373 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.469 5.664 -10.769 1.00 0.00 H new ATOM 191 N GLU A 14 0.162 7.850 -8.465 1.00 0.00 N ATOM 192 CA GLU A 14 1.273 8.790 -8.482 1.00 0.00 C ATOM 193 C GLU A 14 1.971 8.776 -7.141 1.00 0.00 C ATOM 194 O GLU A 14 3.194 8.690 -7.046 1.00 0.00 O ATOM 195 CB GLU A 14 0.738 10.185 -8.771 1.00 0.00 C ATOM 196 CG GLU A 14 -0.313 10.169 -9.845 1.00 0.00 C ATOM 197 CD GLU A 14 -1.046 11.490 -9.978 1.00 0.00 C ATOM 198 OE1 GLU A 14 -0.487 12.418 -10.601 1.00 0.00 O ATOM 199 OE2 GLU A 14 -2.178 11.596 -9.462 1.00 0.00 O ATOM 0 H GLU A 14 -0.718 8.226 -8.818 1.00 0.00 H new ATOM 0 HA GLU A 14 1.986 8.505 -9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.319 10.610 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.559 10.833 -9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.154 9.921 -10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.034 9.380 -9.629 1.00 0.00 H new ATOM 206 N ALA A 15 1.152 8.802 -6.112 1.00 0.00 N ATOM 207 CA ALA A 15 1.618 8.823 -4.738 1.00 0.00 C ATOM 208 C ALA A 15 2.307 7.534 -4.324 1.00 0.00 C ATOM 209 O ALA A 15 3.307 7.566 -3.607 1.00 0.00 O ATOM 210 CB ALA A 15 0.438 9.080 -3.813 1.00 0.00 C ATOM 0 H ALA A 15 0.136 8.809 -6.204 1.00 0.00 H new ATOM 0 HA ALA A 15 2.357 9.620 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.783 9.097 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.015 10.040 -4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.300 8.288 -3.936 1.00 0.00 H new ATOM 216 N VAL A 16 1.795 6.400 -4.784 1.00 0.00 N ATOM 217 CA VAL A 16 2.342 5.137 -4.359 1.00 0.00 C ATOM 218 C VAL A 16 3.470 4.659 -5.212 1.00 0.00 C ATOM 219 O VAL A 16 4.552 4.359 -4.712 1.00 0.00 O ATOM 220 CB VAL A 16 1.266 4.054 -4.239 1.00 0.00 C ATOM 221 CG1 VAL A 16 0.281 4.136 -5.394 1.00 0.00 C ATOM 222 CG2 VAL A 16 1.903 2.672 -4.152 1.00 0.00 C ATOM 0 H VAL A 16 1.016 6.337 -5.439 1.00 0.00 H new ATOM 0 HA VAL A 16 2.753 5.327 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 16 0.709 4.226 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.473 3.356 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.204 5.112 -5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.812 3.998 -6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.122 1.916 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.492 2.486 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.551 2.624 -3.277 1.00 0.00 H new ATOM 232 N ARG A 17 3.218 4.570 -6.489 1.00 0.00 N ATOM 233 CA ARG A 17 4.218 4.096 -7.394 1.00 0.00 C ATOM 234 C ARG A 17 5.531 4.762 -7.147 1.00 0.00 C ATOM 235 O ARG A 17 6.588 4.122 -7.183 1.00 0.00 O ATOM 236 CB ARG A 17 3.734 4.214 -8.828 1.00 0.00 C ATOM 237 CG ARG A 17 2.444 3.453 -9.066 1.00 0.00 C ATOM 238 CD ARG A 17 2.316 2.245 -8.152 1.00 0.00 C ATOM 239 NE ARG A 17 1.018 2.145 -7.570 1.00 0.00 N ATOM 240 CZ ARG A 17 0.746 1.311 -6.608 1.00 0.00 C ATOM 241 NH1 ARG A 17 1.551 0.300 -6.346 1.00 0.00 N ATOM 242 NH2 ARG A 17 -0.352 1.455 -5.937 1.00 0.00 N ATOM 0 H ARG A 17 2.329 4.820 -6.922 1.00 0.00 H new ATOM 0 HA ARG A 17 4.390 3.035 -7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.583 5.265 -9.073 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.504 3.838 -9.501 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.596 4.119 -8.907 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.402 3.127 -10.105 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.529 1.339 -8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.063 2.309 -7.361 1.00 0.00 H new ATOM 0 HE ARG A 17 0.275 2.749 -7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.397 0.165 -6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.328 -0.347 -5.590 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.993 2.215 -6.164 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.576 0.808 -5.181 1.00 0.00 H new ATOM 256 N VAL A 18 5.481 6.019 -6.824 1.00 0.00 N ATOM 257 CA VAL A 18 6.697 6.704 -6.548 1.00 0.00 C ATOM 258 C VAL A 18 7.236 6.287 -5.187 1.00 0.00 C ATOM 259 O VAL A 18 8.387 5.914 -5.073 1.00 0.00 O ATOM 260 CB VAL A 18 6.501 8.224 -6.591 1.00 0.00 C ATOM 261 CG1 VAL A 18 5.949 8.637 -7.946 1.00 0.00 C ATOM 262 CG2 VAL A 18 5.577 8.667 -5.466 1.00 0.00 C ATOM 0 H VAL A 18 4.630 6.577 -6.747 1.00 0.00 H new ATOM 0 HA VAL A 18 7.418 6.433 -7.319 1.00 0.00 H new ATOM 0 HB VAL A 18 7.464 8.714 -6.449 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.812 9.718 -7.969 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.648 8.343 -8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.990 8.146 -8.113 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.446 9.748 -5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.608 8.179 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.014 8.391 -4.506 1.00 0.00 H new ATOM 272 N PHE A 19 6.360 6.219 -4.189 1.00 0.00 N ATOM 273 CA PHE A 19 6.787 5.937 -2.822 1.00 0.00 C ATOM 274 C PHE A 19 7.370 4.530 -2.620 1.00 0.00 C ATOM 275 O PHE A 19 8.403 4.364 -1.944 1.00 0.00 O ATOM 276 CB PHE A 19 5.623 6.282 -1.843 1.00 0.00 C ATOM 277 CG PHE A 19 4.632 5.198 -1.452 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.024 3.919 -1.123 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.285 5.499 -1.394 1.00 0.00 C ATOM 280 CE1 PHE A 19 4.100 2.959 -0.766 1.00 0.00 C ATOM 281 CE2 PHE A 19 2.352 4.545 -1.039 1.00 0.00 C ATOM 282 CZ PHE A 19 2.763 3.270 -0.729 1.00 0.00 C ATOM 0 H PHE A 19 5.355 6.354 -4.300 1.00 0.00 H new ATOM 0 HA PHE A 19 7.635 6.582 -2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.070 6.664 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.055 7.101 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.073 3.663 -1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.955 6.500 -1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.429 1.961 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.303 4.799 -1.005 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.038 2.517 -0.458 1.00 0.00 H new ATOM 292 N THR A 20 6.787 3.515 -3.241 1.00 0.00 N ATOM 293 CA THR A 20 7.268 2.171 -2.993 1.00 0.00 C ATOM 294 C THR A 20 8.527 1.846 -3.776 1.00 0.00 C ATOM 295 O THR A 20 9.514 1.412 -3.179 1.00 0.00 O ATOM 296 CB THR A 20 6.191 1.115 -3.233 1.00 0.00 C ATOM 297 OG1 THR A 20 5.341 1.029 -2.100 1.00 0.00 O ATOM 298 CG2 THR A 20 6.807 -0.234 -3.513 1.00 0.00 C ATOM 0 H THR A 20 6.009 3.592 -3.896 1.00 0.00 H new ATOM 0 HA THR A 20 7.528 2.143 -1.935 1.00 0.00 H new ATOM 0 HB THR A 20 5.609 1.413 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.954 1.910 -1.913 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.018 -0.967 -3.680 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.436 -0.170 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.413 -0.541 -2.661 1.00 0.00 H new ATOM 306 N GLN A 21 8.531 2.036 -5.096 1.00 0.00 N ATOM 307 CA GLN A 21 9.744 1.739 -5.830 1.00 0.00 C ATOM 308 C GLN A 21 10.821 2.711 -5.390 1.00 0.00 C ATOM 309 O GLN A 21 11.990 2.531 -5.695 1.00 0.00 O ATOM 310 CB GLN A 21 9.541 1.743 -7.347 1.00 0.00 C ATOM 311 CG GLN A 21 9.069 0.386 -7.904 1.00 0.00 C ATOM 312 CD GLN A 21 9.644 -0.797 -7.162 1.00 0.00 C ATOM 313 OE1 GLN A 21 8.954 -1.211 -6.106 1.00 0.00 O flip ATOM 314 NE2 GLN A 21 10.694 -1.327 -7.526 1.00 0.00 N flip ATOM 0 H GLN A 21 7.746 2.377 -5.650 1.00 0.00 H new ATOM 0 HA GLN A 21 10.055 0.721 -5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.809 2.508 -7.606 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.478 2.020 -7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.981 0.341 -7.858 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.347 0.316 -8.956 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.188 -0.972 -8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.070 -2.121 -7.009 1.00 0.00 H new ATOM 323 N LEU A 22 10.418 3.759 -4.665 1.00 0.00 N ATOM 324 CA LEU A 22 11.393 4.693 -4.133 1.00 0.00 C ATOM 325 C LEU A 22 12.342 3.896 -3.273 1.00 0.00 C ATOM 326 O LEU A 22 13.557 4.056 -3.352 1.00 0.00 O ATOM 327 CB LEU A 22 10.752 5.800 -3.279 1.00 0.00 C ATOM 328 CG LEU A 22 10.427 7.133 -3.983 1.00 0.00 C ATOM 329 CD1 LEU A 22 11.100 8.282 -3.260 1.00 0.00 C ATOM 330 CD2 LEU A 22 10.823 7.126 -5.459 1.00 0.00 C ATOM 0 H LEU A 22 9.446 3.972 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 22 11.896 5.188 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.828 5.407 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.420 6.013 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 22 9.346 7.264 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.864 9.218 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.742 8.325 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.179 8.131 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.573 8.087 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.896 6.953 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.284 6.333 -5.977 1.00 0.00 H new ATOM 342 N SER A 23 11.767 3.021 -2.447 1.00 0.00 N ATOM 343 CA SER A 23 12.580 2.171 -1.583 1.00 0.00 C ATOM 344 C SER A 23 13.325 1.091 -2.384 1.00 0.00 C ATOM 345 O SER A 23 14.530 0.906 -2.207 1.00 0.00 O ATOM 346 CB SER A 23 11.726 1.535 -0.480 1.00 0.00 C ATOM 347 OG SER A 23 11.439 2.475 0.540 1.00 0.00 O ATOM 0 H SER A 23 10.760 2.885 -2.360 1.00 0.00 H new ATOM 0 HA SER A 23 13.330 2.808 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.796 1.159 -0.906 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.251 0.680 -0.055 1.00 0.00 H new ATOM 0 HG SER A 23 10.515 2.788 0.446 1.00 0.00 H new ATOM 353 N SER A 24 12.619 0.376 -3.262 1.00 0.00 N ATOM 354 CA SER A 24 13.247 -0.678 -4.063 1.00 0.00 C ATOM 355 C SER A 24 14.271 -0.121 -5.032 1.00 0.00 C ATOM 356 O SER A 24 15.445 -0.489 -4.981 1.00 0.00 O ATOM 357 CB SER A 24 12.206 -1.464 -4.843 1.00 0.00 C ATOM 358 OG SER A 24 12.805 -2.213 -5.887 1.00 0.00 O ATOM 0 H SER A 24 11.622 0.505 -3.436 1.00 0.00 H new ATOM 0 HA SER A 24 13.755 -1.339 -3.360 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.674 -2.136 -4.169 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.467 -0.780 -5.260 1.00 0.00 H new ATOM 0 HG SER A 24 13.776 -2.085 -5.865 1.00 0.00 H new ATOM 364 N ALA A 25 13.816 0.750 -5.925 1.00 0.00 N ATOM 365 CA ALA A 25 14.692 1.362 -6.906 1.00 0.00 C ATOM 366 C ALA A 25 15.931 1.885 -6.206 1.00 0.00 C ATOM 367 O ALA A 25 17.028 1.878 -6.760 1.00 0.00 O ATOM 368 CB ALA A 25 13.967 2.490 -7.641 1.00 0.00 C ATOM 0 H ALA A 25 12.842 1.046 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 25 14.986 0.618 -7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.639 2.938 -8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.091 2.088 -8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.654 3.249 -6.924 1.00 0.00 H new ATOM 374 N ALA A 26 15.739 2.301 -4.960 1.00 0.00 N ATOM 375 CA ALA A 26 16.826 2.831 -4.151 1.00 0.00 C ATOM 376 C ALA A 26 17.918 1.793 -3.913 1.00 0.00 C ATOM 377 O ALA A 26 19.103 2.127 -3.965 1.00 0.00 O ATOM 378 CB ALA A 26 16.301 3.358 -2.822 1.00 0.00 C ATOM 0 H ALA A 26 14.835 2.281 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 26 17.270 3.656 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.130 3.750 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.579 4.154 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.818 2.549 -2.275 1.00 0.00 H new ATOM 384 N ASN A 27 17.543 0.536 -3.655 1.00 0.00 N ATOM 385 CA ASN A 27 18.562 -0.485 -3.406 1.00 0.00 C ATOM 386 C ASN A 27 18.085 -1.934 -3.574 1.00 0.00 C ATOM 387 O ASN A 27 18.836 -2.767 -4.083 1.00 0.00 O ATOM 388 CB ASN A 27 19.147 -0.305 -2.002 1.00 0.00 C ATOM 389 CG ASN A 27 18.114 0.118 -0.967 1.00 0.00 C ATOM 390 OD1 ASN A 27 16.839 -0.155 -1.233 1.00 0.00 O flip ATOM 391 ND2 ASN A 27 18.461 0.699 0.062 1.00 0.00 N flip ATOM 0 H ASN A 27 16.577 0.210 -3.614 1.00 0.00 H new ATOM 0 HA ASN A 27 19.317 -0.329 -4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 27 19.606 -1.241 -1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 27 19.940 0.442 -2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 27 19.448 0.891 0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 27 17.761 0.988 0.745 1.00 0.00 H new ATOM 398 N CYS A 28 16.856 -2.249 -3.165 1.00 0.00 N ATOM 399 CA CYS A 28 16.374 -3.629 -3.249 1.00 0.00 C ATOM 400 C CYS A 28 14.901 -3.736 -2.878 1.00 0.00 C ATOM 401 O CYS A 28 14.336 -2.815 -2.328 1.00 0.00 O ATOM 402 CB CYS A 28 17.204 -4.499 -2.296 1.00 0.00 C ATOM 403 SG CYS A 28 16.283 -5.821 -1.450 1.00 0.00 S ATOM 0 H CYS A 28 16.187 -1.583 -2.779 1.00 0.00 H new ATOM 0 HA CYS A 28 16.482 -3.970 -4.279 1.00 0.00 H new ATOM 0 HB2 CYS A 28 18.020 -4.951 -2.860 1.00 0.00 H new ATOM 0 HB3 CYS A 28 17.656 -3.854 -1.543 1.00 0.00 H new ATOM 408 N ASP A 29 14.288 -4.866 -3.197 1.00 0.00 N ATOM 409 CA ASP A 29 12.884 -5.108 -2.863 1.00 0.00 C ATOM 410 C ASP A 29 12.768 -6.218 -1.836 1.00 0.00 C ATOM 411 O ASP A 29 13.635 -7.087 -1.763 1.00 0.00 O ATOM 412 CB ASP A 29 12.113 -5.541 -4.100 1.00 0.00 C ATOM 413 CG ASP A 29 10.639 -5.291 -3.993 1.00 0.00 C ATOM 414 OD1 ASP A 29 9.965 -6.047 -3.274 1.00 0.00 O ATOM 415 OD2 ASP A 29 10.156 -4.348 -4.648 1.00 0.00 O ATOM 0 H ASP A 29 14.740 -5.636 -3.689 1.00 0.00 H new ATOM 0 HA ASP A 29 12.474 -4.180 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.503 -5.010 -4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.283 -6.604 -4.273 1.00 0.00 H new ATOM 420 N TRP A 30 11.702 -6.205 -1.044 1.00 0.00 N ATOM 421 CA TRP A 30 11.524 -7.276 -0.077 1.00 0.00 C ATOM 422 C TRP A 30 11.081 -8.524 -0.836 1.00 0.00 C ATOM 423 O TRP A 30 11.549 -9.625 -0.560 1.00 0.00 O ATOM 424 CB TRP A 30 10.538 -6.920 1.063 1.00 0.00 C ATOM 425 CG TRP A 30 9.213 -6.415 0.634 1.00 0.00 C ATOM 426 CD1 TRP A 30 8.261 -7.032 -0.116 1.00 0.00 C ATOM 427 CD2 TRP A 30 8.696 -5.152 0.990 1.00 0.00 C ATOM 428 NE1 TRP A 30 7.193 -6.186 -0.292 1.00 0.00 N ATOM 429 CE2 TRP A 30 7.449 -5.019 0.384 1.00 0.00 C ATOM 430 CE3 TRP A 30 9.196 -4.107 1.756 1.00 0.00 C ATOM 431 CZ2 TRP A 30 6.694 -3.868 0.518 1.00 0.00 C ATOM 432 CZ3 TRP A 30 8.449 -2.970 1.896 1.00 0.00 C ATOM 433 CH2 TRP A 30 7.214 -2.851 1.281 1.00 0.00 C ATOM 0 H TRP A 30 10.973 -5.492 -1.050 1.00 0.00 H new ATOM 0 HA TRP A 30 12.475 -7.452 0.427 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.386 -7.808 1.677 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.004 -6.168 1.699 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.333 -8.034 -0.513 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.353 -6.390 -0.833 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.161 -4.191 2.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.730 -3.772 0.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.827 -2.154 2.494 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.648 -1.940 1.404 1.00 0.00 H new ATOM 444 N ALA A 31 10.235 -8.293 -1.854 1.00 0.00 N ATOM 445 CA ALA A 31 9.685 -9.339 -2.729 1.00 0.00 C ATOM 446 C ALA A 31 8.855 -10.384 -1.972 1.00 0.00 C ATOM 447 O ALA A 31 7.751 -10.740 -2.385 1.00 0.00 O ATOM 448 CB ALA A 31 10.815 -10.000 -3.497 1.00 0.00 C ATOM 0 H ALA A 31 9.909 -7.357 -2.095 1.00 0.00 H new ATOM 0 HA ALA A 31 8.997 -8.856 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.409 -10.776 -4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.329 -9.253 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.520 -10.446 -2.795 1.00 0.00 H new ATOM 454 N ALA A 32 9.386 -10.878 -0.874 1.00 0.00 N ATOM 455 CA ALA A 32 8.699 -11.884 -0.079 1.00 0.00 C ATOM 456 C ALA A 32 7.424 -11.328 0.548 1.00 0.00 C ATOM 457 O ALA A 32 6.385 -11.991 0.556 1.00 0.00 O ATOM 458 CB ALA A 32 9.626 -12.424 1.000 1.00 0.00 C ATOM 0 H ALA A 32 10.296 -10.600 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 32 8.413 -12.698 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.100 -13.176 1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.502 -12.875 0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.940 -11.608 1.651 1.00 0.00 H new ATOM 464 N CYS A 33 7.501 -10.105 1.064 1.00 0.00 N ATOM 465 CA CYS A 33 6.349 -9.490 1.706 1.00 0.00 C ATOM 466 C CYS A 33 5.223 -9.207 0.727 1.00 0.00 C ATOM 467 O CYS A 33 4.080 -9.533 0.995 1.00 0.00 O ATOM 468 CB CYS A 33 6.733 -8.204 2.424 1.00 0.00 C ATOM 469 SG CYS A 33 6.129 -8.135 4.147 1.00 0.00 S ATOM 0 H CYS A 33 8.341 -9.527 1.050 1.00 0.00 H new ATOM 0 HA CYS A 33 5.989 -10.214 2.437 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.818 -8.104 2.422 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.334 -7.354 1.871 1.00 0.00 H new ATOM 474 N LEU A 34 5.525 -8.598 -0.402 1.00 0.00 N ATOM 475 CA LEU A 34 4.475 -8.290 -1.357 1.00 0.00 C ATOM 476 C LEU A 34 3.650 -9.525 -1.678 1.00 0.00 C ATOM 477 O LEU A 34 2.436 -9.437 -1.862 1.00 0.00 O ATOM 478 CB LEU A 34 5.037 -7.647 -2.610 1.00 0.00 C ATOM 479 CG LEU A 34 6.416 -8.138 -3.017 1.00 0.00 C ATOM 480 CD1 LEU A 34 6.292 -9.206 -4.091 1.00 0.00 C ATOM 481 CD2 LEU A 34 7.268 -6.979 -3.488 1.00 0.00 C ATOM 0 H LEU A 34 6.464 -8.312 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 34 3.808 -7.562 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.346 -7.825 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.081 -6.568 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 34 6.908 -8.583 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.285 -9.552 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.713 -10.045 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.789 -8.788 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.253 -7.345 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.793 -6.503 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.373 -6.253 -2.682 1.00 0.00 H new ATOM 493 N SER A 35 4.302 -10.677 -1.740 1.00 0.00 N ATOM 494 CA SER A 35 3.586 -11.920 -1.978 1.00 0.00 C ATOM 495 C SER A 35 2.581 -12.122 -0.848 1.00 0.00 C ATOM 496 O SER A 35 1.480 -12.634 -1.047 1.00 0.00 O ATOM 497 CB SER A 35 4.560 -13.093 -2.015 1.00 0.00 C ATOM 498 OG SER A 35 3.890 -14.309 -2.298 1.00 0.00 O ATOM 0 H SER A 35 5.311 -10.776 -1.630 1.00 0.00 H new ATOM 0 HA SER A 35 3.071 -11.869 -2.937 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.323 -12.911 -2.772 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.074 -13.173 -1.057 1.00 0.00 H new ATOM 0 HG SER A 35 4.539 -15.043 -2.317 1.00 0.00 H new ATOM 504 N SER A 36 3.003 -11.700 0.341 1.00 0.00 N ATOM 505 CA SER A 36 2.196 -11.793 1.563 1.00 0.00 C ATOM 506 C SER A 36 0.796 -11.175 1.399 1.00 0.00 C ATOM 507 O SER A 36 -0.187 -11.752 1.861 1.00 0.00 O ATOM 508 CB SER A 36 2.936 -11.115 2.722 1.00 0.00 C ATOM 509 OG SER A 36 2.596 -11.706 3.964 1.00 0.00 O ATOM 0 H SER A 36 3.921 -11.280 0.489 1.00 0.00 H new ATOM 0 HA SER A 36 2.052 -12.852 1.777 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.012 -11.190 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.690 -10.053 2.742 1.00 0.00 H new ATOM 0 HG SER A 36 3.083 -11.255 4.685 1.00 0.00 H new ATOM 515 N LEU A 37 0.700 -10.000 0.768 1.00 0.00 N ATOM 516 CA LEU A 37 -0.613 -9.365 0.564 1.00 0.00 C ATOM 517 C LEU A 37 -1.424 -10.247 -0.341 1.00 0.00 C ATOM 518 O LEU A 37 -2.522 -10.674 0.003 1.00 0.00 O ATOM 519 CB LEU A 37 -0.512 -7.961 -0.059 1.00 0.00 C ATOM 520 CG LEU A 37 -1.768 -7.468 -0.788 1.00 0.00 C ATOM 521 CD1 LEU A 37 -2.900 -7.228 0.194 1.00 0.00 C ATOM 522 CD2 LEU A 37 -1.475 -6.214 -1.586 1.00 0.00 C ATOM 0 H LEU A 37 1.493 -9.477 0.396 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.082 -9.245 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.269 -7.249 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.321 -7.954 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.080 -8.246 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.781 -6.879 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.136 -8.158 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.597 -6.475 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.382 -5.885 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.129 -5.428 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.702 -6.425 -2.325 1.00 0.00 H new ATOM 534 N SER A 38 -0.850 -10.528 -1.501 1.00 0.00 N ATOM 535 CA SER A 38 -1.494 -11.384 -2.475 1.00 0.00 C ATOM 536 C SER A 38 -1.630 -12.799 -1.920 1.00 0.00 C ATOM 537 O SER A 38 -2.132 -13.697 -2.590 1.00 0.00 O ATOM 538 CB SER A 38 -0.701 -11.392 -3.785 1.00 0.00 C ATOM 539 OG SER A 38 -0.257 -12.697 -4.111 1.00 0.00 O ATOM 0 H SER A 38 0.062 -10.173 -1.787 1.00 0.00 H new ATOM 0 HA SER A 38 -2.491 -10.995 -2.682 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.324 -11.006 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.157 -10.725 -3.697 1.00 0.00 H new ATOM 0 HG SER A 38 0.245 -12.671 -4.953 1.00 0.00 H new ATOM 545 N ALA A 39 -1.173 -12.985 -0.685 1.00 0.00 N ATOM 546 CA ALA A 39 -1.253 -14.278 -0.021 1.00 0.00 C ATOM 547 C ALA A 39 -2.579 -14.405 0.718 1.00 0.00 C ATOM 548 O ALA A 39 -3.365 -15.304 0.422 1.00 0.00 O ATOM 549 CB ALA A 39 -0.086 -14.462 0.936 1.00 0.00 C ATOM 0 H ALA A 39 -0.742 -12.251 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.198 -15.062 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.164 -15.434 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.851 -14.408 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.107 -13.676 1.691 1.00 0.00 H new ATOM 555 N SER A 40 -2.801 -13.483 1.674 1.00 0.00 N ATOM 556 CA SER A 40 -4.034 -13.420 2.481 1.00 0.00 C ATOM 557 C SER A 40 -3.744 -12.970 3.907 1.00 0.00 C ATOM 558 O SER A 40 -3.074 -13.669 4.665 1.00 0.00 O ATOM 559 CB SER A 40 -4.767 -14.766 2.537 1.00 0.00 C ATOM 560 OG SER A 40 -3.912 -15.794 3.004 1.00 0.00 O ATOM 0 H SER A 40 -2.125 -12.756 1.909 1.00 0.00 H new ATOM 0 HA SER A 40 -4.674 -12.691 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.634 -14.684 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.140 -15.022 1.545 1.00 0.00 H new ATOM 0 HG SER A 40 -3.294 -15.428 3.671 1.00 0.00 H new ATOM 566 N SER A 41 -4.252 -11.794 4.266 1.00 0.00 N ATOM 567 CA SER A 41 -4.087 -11.271 5.613 1.00 0.00 C ATOM 568 C SER A 41 -5.456 -11.128 6.247 1.00 0.00 C ATOM 569 O SER A 41 -6.377 -10.595 5.633 1.00 0.00 O ATOM 570 CB SER A 41 -3.373 -9.916 5.611 1.00 0.00 C ATOM 571 OG SER A 41 -2.315 -9.901 4.669 1.00 0.00 O ATOM 0 H SER A 41 -4.781 -11.187 3.640 1.00 0.00 H new ATOM 0 HA SER A 41 -3.470 -11.965 6.184 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.086 -9.126 5.375 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.982 -9.706 6.606 1.00 0.00 H new ATOM 0 HG SER A 41 -2.368 -9.084 4.130 1.00 0.00 H new ATOM 577 N ALA A 42 -5.581 -11.596 7.478 1.00 0.00 N ATOM 578 CA ALA A 42 -6.850 -11.532 8.198 1.00 0.00 C ATOM 579 C ALA A 42 -7.346 -10.098 8.282 1.00 0.00 C ATOM 580 O ALA A 42 -8.475 -9.834 8.698 1.00 0.00 O ATOM 581 CB ALA A 42 -6.695 -12.118 9.590 1.00 0.00 C ATOM 0 H ALA A 42 -4.820 -12.026 8.004 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.587 -12.119 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.648 -12.064 10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.381 -13.159 9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.944 -11.552 10.141 1.00 0.00 H new ATOM 587 N ALA A 43 -6.485 -9.180 7.874 1.00 0.00 N ATOM 588 CA ALA A 43 -6.784 -7.765 7.917 1.00 0.00 C ATOM 589 C ALA A 43 -7.508 -7.266 6.677 1.00 0.00 C ATOM 590 O ALA A 43 -8.625 -6.778 6.783 1.00 0.00 O ATOM 591 CB ALA A 43 -5.493 -6.989 8.131 1.00 0.00 C ATOM 0 H ALA A 43 -5.560 -9.399 7.504 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.468 -7.600 8.750 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.711 -5.922 8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.036 -7.295 9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.805 -7.193 7.310 1.00 0.00 H new ATOM 597 N CYS A 44 -6.889 -7.396 5.511 1.00 0.00 N ATOM 598 CA CYS A 44 -7.493 -6.903 4.275 1.00 0.00 C ATOM 599 C CYS A 44 -8.981 -7.224 4.189 1.00 0.00 C ATOM 600 O CYS A 44 -9.764 -6.454 3.628 1.00 0.00 O ATOM 601 CB CYS A 44 -6.750 -7.431 3.053 1.00 0.00 C ATOM 602 SG CYS A 44 -5.606 -8.809 3.386 1.00 0.00 S ATOM 0 H CYS A 44 -5.976 -7.835 5.393 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.402 -5.817 4.290 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.482 -7.756 2.314 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.188 -6.611 2.606 1.00 0.00 H new ATOM 607 N ILE A 45 -9.367 -8.353 4.745 1.00 0.00 N ATOM 608 CA ILE A 45 -10.762 -8.756 4.737 1.00 0.00 C ATOM 609 C ILE A 45 -11.519 -8.097 5.887 1.00 0.00 C ATOM 610 O ILE A 45 -12.612 -7.512 5.710 1.00 0.00 O ATOM 611 CB ILE A 45 -10.916 -10.284 4.797 1.00 0.00 C ATOM 612 CG1 ILE A 45 -9.619 -10.971 4.365 1.00 0.00 C ATOM 613 CG2 ILE A 45 -12.068 -10.728 3.907 1.00 0.00 C ATOM 614 CD1 ILE A 45 -8.960 -11.767 5.468 1.00 0.00 C ATOM 0 H ILE A 45 -8.738 -9.009 5.208 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.193 -8.419 3.794 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.133 -10.572 5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.831 -11.634 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.920 -10.216 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.169 -11.812 3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.992 -10.262 4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.869 -10.429 2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.047 -12.226 5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.716 -11.105 6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.641 -12.545 5.812 1.00 0.00 H new ATOM 626 N ALA A 46 -10.914 -8.146 7.071 1.00 0.00 N ATOM 627 CA ALA A 46 -11.541 -7.526 8.234 1.00 0.00 C ATOM 628 C ALA A 46 -11.721 -6.062 7.895 1.00 0.00 C ATOM 629 O ALA A 46 -12.550 -5.328 8.448 1.00 0.00 O ATOM 630 CB ALA A 46 -10.686 -7.708 9.478 1.00 0.00 C ATOM 0 H ALA A 46 -10.016 -8.595 7.249 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.501 -7.991 8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.177 -7.236 10.329 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.556 -8.772 9.678 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.711 -7.247 9.320 1.00 0.00 H new ATOM 636 N ALA A 47 -10.923 -5.681 6.920 1.00 0.00 N ATOM 637 CA ALA A 47 -10.898 -4.352 6.389 1.00 0.00 C ATOM 638 C ALA A 47 -12.173 -4.081 5.625 1.00 0.00 C ATOM 639 O ALA A 47 -12.795 -3.033 5.788 1.00 0.00 O ATOM 640 CB ALA A 47 -9.706 -4.225 5.473 1.00 0.00 C ATOM 0 H ALA A 47 -10.259 -6.311 6.469 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.820 -3.626 7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.671 -3.217 5.059 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.793 -4.418 6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.792 -4.948 4.662 1.00 0.00 H new ATOM 646 N VAL A 48 -12.571 -5.054 4.807 1.00 0.00 N ATOM 647 CA VAL A 48 -13.775 -4.931 4.001 1.00 0.00 C ATOM 648 C VAL A 48 -14.868 -4.279 4.802 1.00 0.00 C ATOM 649 O VAL A 48 -15.640 -3.468 4.294 1.00 0.00 O ATOM 650 CB VAL A 48 -14.281 -6.314 3.538 1.00 0.00 C ATOM 651 CG1 VAL A 48 -15.550 -6.189 2.715 1.00 0.00 C ATOM 652 CG2 VAL A 48 -13.216 -7.051 2.757 1.00 0.00 C ATOM 0 H VAL A 48 -12.073 -5.936 4.688 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.524 -4.326 3.130 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.512 -6.893 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.881 -7.180 2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.328 -5.718 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.353 -5.579 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.601 -8.022 2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.941 -6.469 1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.337 -7.195 3.386 1.00 0.00 H new ATOM 662 N GLY A 49 -14.922 -4.646 6.057 1.00 0.00 N ATOM 663 CA GLY A 49 -15.941 -4.091 6.932 1.00 0.00 C ATOM 664 C GLY A 49 -15.583 -2.781 7.636 1.00 0.00 C ATOM 665 O GLY A 49 -16.475 -2.030 8.019 1.00 0.00 O ATOM 0 H GLY A 49 -14.288 -5.314 6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.846 -3.929 6.346 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.182 -4.834 7.692 1.00 0.00 H new ATOM 669 N GLU A 50 -14.298 -2.478 7.781 1.00 0.00 N ATOM 670 CA GLU A 50 -13.886 -1.316 8.583 1.00 0.00 C ATOM 671 C GLU A 50 -13.487 0.003 7.889 1.00 0.00 C ATOM 672 O GLU A 50 -12.664 0.722 8.439 1.00 0.00 O ATOM 673 CB GLU A 50 -12.857 -1.768 9.590 1.00 0.00 C ATOM 674 CG GLU A 50 -13.483 -2.739 10.551 1.00 0.00 C ATOM 675 CD GLU A 50 -13.652 -2.166 11.944 1.00 0.00 C ATOM 676 OE1 GLU A 50 -12.672 -2.189 12.718 1.00 0.00 O ATOM 677 OE2 GLU A 50 -14.764 -1.695 12.262 1.00 0.00 O ATOM 0 H GLU A 50 -13.531 -3.006 7.365 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.816 -0.985 9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.016 -2.237 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.462 -0.909 10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.457 -3.044 10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.867 -3.637 10.605 1.00 0.00 H new ATOM 684 N LEU A 51 -13.935 0.259 6.660 1.00 0.00 N ATOM 685 CA LEU A 51 -13.695 1.570 5.993 1.00 0.00 C ATOM 686 C LEU A 51 -12.655 1.487 4.917 1.00 0.00 C ATOM 687 O LEU A 51 -11.437 1.391 5.180 1.00 0.00 O ATOM 688 CB LEU A 51 -13.350 2.699 6.952 1.00 0.00 C ATOM 689 CG LEU A 51 -13.512 4.100 6.359 1.00 0.00 C ATOM 690 CD1 LEU A 51 -14.981 4.448 6.153 1.00 0.00 C ATOM 691 CD2 LEU A 51 -12.817 5.145 7.222 1.00 0.00 C ATOM 0 H LEU A 51 -14.463 -0.408 6.097 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.655 1.814 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.983 2.616 7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.320 2.575 7.285 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.032 4.101 5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.062 5.450 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.433 3.729 5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.500 4.415 7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.949 6.131 6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.251 5.138 8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.753 4.915 7.286 1.00 0.00 H new ATOM 703 N GLY A 52 -13.185 1.558 3.698 1.00 0.00 N ATOM 704 CA GLY A 52 -12.416 1.443 2.497 1.00 0.00 C ATOM 705 C GLY A 52 -11.491 0.294 2.604 1.00 0.00 C ATOM 706 O GLY A 52 -10.565 0.137 1.812 1.00 0.00 O ATOM 0 H GLY A 52 -14.181 1.700 3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.078 1.310 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.853 2.360 2.325 1.00 0.00 H new ATOM 710 N LEU A 53 -11.798 -0.509 3.610 1.00 0.00 N ATOM 711 CA LEU A 53 -11.060 -1.677 3.965 1.00 0.00 C ATOM 712 C LEU A 53 -10.055 -1.288 5.030 1.00 0.00 C ATOM 713 O LEU A 53 -8.857 -1.524 4.870 1.00 0.00 O ATOM 714 CB LEU A 53 -10.382 -2.352 2.763 1.00 0.00 C ATOM 715 CG LEU A 53 -11.291 -2.745 1.575 1.00 0.00 C ATOM 716 CD1 LEU A 53 -11.072 -4.193 1.188 1.00 0.00 C ATOM 717 CD2 LEU A 53 -12.761 -2.497 1.887 1.00 0.00 C ATOM 0 H LEU A 53 -12.602 -0.345 4.216 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.751 -2.426 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.608 -1.682 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.880 -3.252 3.118 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.017 -2.111 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.721 -4.448 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.031 -4.339 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.305 -4.836 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.369 -2.785 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.054 -3.089 2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.914 -1.439 2.101 1.00 0.00 H new ATOM 729 N ASP A 54 -10.567 -0.680 6.125 1.00 0.00 N ATOM 730 CA ASP A 54 -9.724 -0.234 7.231 1.00 0.00 C ATOM 731 C ASP A 54 -8.286 -0.243 6.811 1.00 0.00 C ATOM 732 O ASP A 54 -7.668 -1.299 6.786 1.00 0.00 O ATOM 733 CB ASP A 54 -9.876 -1.156 8.427 1.00 0.00 C ATOM 734 CG ASP A 54 -9.739 -0.428 9.751 1.00 0.00 C ATOM 735 OD1 ASP A 54 -10.604 0.419 10.056 1.00 0.00 O ATOM 736 OD2 ASP A 54 -8.765 -0.706 10.482 1.00 0.00 O ATOM 0 H ASP A 54 -11.561 -0.492 6.255 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.034 0.774 7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.851 -1.642 8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.124 -1.943 8.371 1.00 0.00 H new ATOM 741 N VAL A 55 -7.752 0.904 6.451 1.00 0.00 N ATOM 742 CA VAL A 55 -6.353 0.936 6.024 1.00 0.00 C ATOM 743 C VAL A 55 -5.470 0.076 6.919 1.00 0.00 C ATOM 744 O VAL A 55 -4.676 -0.703 6.394 1.00 0.00 O ATOM 745 CB VAL A 55 -5.748 2.355 5.914 1.00 0.00 C ATOM 746 CG1 VAL A 55 -4.874 2.713 7.117 1.00 0.00 C ATOM 747 CG2 VAL A 55 -4.941 2.457 4.630 1.00 0.00 C ATOM 0 H VAL A 55 -8.237 1.802 6.441 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.371 0.523 5.015 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.572 3.069 5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.474 3.719 6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.473 2.673 8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.051 2.002 7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.512 3.456 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.140 1.718 4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.592 2.270 3.776 1.00 0.00 H new ATOM 757 N PRO A 56 -5.611 0.165 8.275 1.00 0.00 N ATOM 758 CA PRO A 56 -4.783 -0.626 9.183 1.00 0.00 C ATOM 759 C PRO A 56 -4.920 -2.097 8.873 1.00 0.00 C ATOM 760 O PRO A 56 -4.103 -2.918 9.293 1.00 0.00 O ATOM 761 CB PRO A 56 -5.343 -0.311 10.575 1.00 0.00 C ATOM 762 CG PRO A 56 -6.048 0.989 10.417 1.00 0.00 C ATOM 763 CD PRO A 56 -6.597 0.983 9.021 1.00 0.00 C ATOM 0 HA PRO A 56 -3.722 -0.390 9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.024 -1.092 10.913 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.546 -0.241 11.315 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.846 1.094 11.152 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.366 1.826 10.566 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.595 0.546 8.982 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.674 1.991 8.614 1.00 0.00 H new ATOM 771 N LEU A 57 -6.005 -2.431 8.194 1.00 0.00 N ATOM 772 CA LEU A 57 -6.250 -3.792 7.796 1.00 0.00 C ATOM 773 C LEU A 57 -5.832 -4.079 6.348 1.00 0.00 C ATOM 774 O LEU A 57 -4.879 -4.809 6.117 1.00 0.00 O ATOM 775 CB LEU A 57 -7.710 -4.161 8.013 1.00 0.00 C ATOM 776 CG LEU A 57 -8.234 -3.970 9.443 1.00 0.00 C ATOM 777 CD1 LEU A 57 -9.688 -4.394 9.542 1.00 0.00 C ATOM 778 CD2 LEU A 57 -7.389 -4.752 10.439 1.00 0.00 C ATOM 0 H LEU A 57 -6.728 -1.770 7.910 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.624 -4.418 8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.322 -3.563 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.849 -5.204 7.730 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.163 -2.910 9.688 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.040 -4.251 10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.290 -3.791 8.863 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.780 -5.446 9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.780 -4.601 11.445 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.424 -5.813 10.192 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.357 -4.403 10.394 1.00 0.00 H new ATOM 790 N ASP A 58 -6.552 -3.490 5.380 1.00 0.00 N ATOM 791 CA ASP A 58 -6.302 -3.743 3.950 1.00 0.00 C ATOM 792 C ASP A 58 -5.035 -3.151 3.384 1.00 0.00 C ATOM 793 O ASP A 58 -4.193 -3.886 2.890 1.00 0.00 O ATOM 794 CB ASP A 58 -7.458 -3.243 3.119 1.00 0.00 C ATOM 795 CG ASP A 58 -7.237 -3.451 1.635 1.00 0.00 C ATOM 796 OD1 ASP A 58 -6.618 -4.471 1.265 1.00 0.00 O ATOM 797 OD2 ASP A 58 -7.681 -2.594 0.843 1.00 0.00 O ATOM 0 H ASP A 58 -7.313 -2.835 5.561 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.186 -4.825 3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.369 -3.758 3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.610 -2.182 3.315 1.00 0.00 H new ATOM 802 N LEU A 59 -4.900 -1.837 3.404 1.00 0.00 N ATOM 803 CA LEU A 59 -3.714 -1.238 2.830 1.00 0.00 C ATOM 804 C LEU A 59 -2.551 -1.526 3.706 1.00 0.00 C ATOM 805 O LEU A 59 -1.421 -1.264 3.354 1.00 0.00 O ATOM 806 CB LEU A 59 -3.873 0.235 2.526 1.00 0.00 C ATOM 807 CG LEU A 59 -4.058 0.519 1.036 1.00 0.00 C ATOM 808 CD1 LEU A 59 -2.739 0.428 0.318 1.00 0.00 C ATOM 809 CD2 LEU A 59 -5.049 -0.456 0.403 1.00 0.00 C ATOM 0 H LEU A 59 -5.576 -1.183 3.799 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.539 -1.692 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.732 0.623 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.996 0.772 2.887 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.456 1.529 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.887 0.633 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.046 1.159 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.327 -0.574 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.158 -0.227 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.680 -1.475 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.017 -0.362 0.896 1.00 0.00 H new ATOM 821 N ALA A 60 -2.873 -1.974 4.895 1.00 0.00 N ATOM 822 CA ALA A 60 -1.879 -2.385 5.849 1.00 0.00 C ATOM 823 C ALA A 60 -1.556 -3.838 5.555 1.00 0.00 C ATOM 824 O ALA A 60 -0.454 -4.304 5.797 1.00 0.00 O ATOM 825 CB ALA A 60 -2.388 -2.204 7.253 1.00 0.00 C ATOM 0 H ALA A 60 -3.834 -2.063 5.226 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.978 -1.777 5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.622 -2.520 7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.626 -1.154 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.285 -2.807 7.395 1.00 0.00 H new ATOM 831 N CYS A 61 -2.569 -4.548 5.048 1.00 0.00 N ATOM 832 CA CYS A 61 -2.414 -5.931 4.615 1.00 0.00 C ATOM 833 C CYS A 61 -1.571 -5.867 3.354 1.00 0.00 C ATOM 834 O CYS A 61 -0.688 -6.688 3.083 1.00 0.00 O ATOM 835 CB CYS A 61 -3.788 -6.547 4.303 1.00 0.00 C ATOM 836 SG CYS A 61 -3.759 -7.970 3.165 1.00 0.00 S ATOM 0 H CYS A 61 -3.512 -4.178 4.929 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.950 -6.548 5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.249 -6.860 5.240 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.427 -5.774 3.876 1.00 0.00 H new ATOM 841 N ALA A 62 -1.845 -4.806 2.617 1.00 0.00 N ATOM 842 CA ALA A 62 -1.174 -4.516 1.378 1.00 0.00 C ATOM 843 C ALA A 62 0.184 -3.881 1.647 1.00 0.00 C ATOM 844 O ALA A 62 1.183 -4.251 1.023 1.00 0.00 O ATOM 845 CB ALA A 62 -2.059 -3.618 0.534 1.00 0.00 C ATOM 0 H ALA A 62 -2.551 -4.116 2.872 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.993 -5.439 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.557 -3.393 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.003 -4.124 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.254 -2.690 1.072 1.00 0.00 H new ATOM 851 N ALA A 63 0.211 -2.929 2.586 1.00 0.00 N ATOM 852 CA ALA A 63 1.449 -2.262 2.971 1.00 0.00 C ATOM 853 C ALA A 63 2.352 -3.273 3.611 1.00 0.00 C ATOM 854 O ALA A 63 3.568 -3.234 3.455 1.00 0.00 O ATOM 855 CB ALA A 63 1.198 -1.119 3.937 1.00 0.00 C ATOM 0 H ALA A 63 -0.614 -2.606 3.091 1.00 0.00 H new ATOM 0 HA ALA A 63 1.909 -1.839 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.146 -0.649 4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.545 -0.383 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.722 -1.503 4.839 1.00 0.00 H new ATOM 861 N THR A 64 1.735 -4.204 4.325 1.00 0.00 N ATOM 862 CA THR A 64 2.493 -5.261 4.962 1.00 0.00 C ATOM 863 C THR A 64 2.938 -6.226 3.885 1.00 0.00 C ATOM 864 O THR A 64 3.374 -7.340 4.170 1.00 0.00 O ATOM 865 CB THR A 64 1.724 -6.022 6.084 1.00 0.00 C ATOM 866 OG1 THR A 64 2.659 -6.723 6.912 1.00 0.00 O ATOM 867 CG2 THR A 64 0.707 -7.020 5.534 1.00 0.00 C ATOM 0 H THR A 64 0.727 -4.246 4.474 1.00 0.00 H new ATOM 0 HA THR A 64 3.340 -4.797 5.468 1.00 0.00 H new ATOM 0 HB THR A 64 1.175 -5.274 6.657 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.286 -7.222 6.348 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.203 -7.519 6.362 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.028 -6.493 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.220 -7.761 4.921 1.00 0.00 H new ATOM 875 N ALA A 65 2.815 -5.782 2.625 1.00 0.00 N ATOM 876 CA ALA A 65 3.187 -6.616 1.509 1.00 0.00 C ATOM 877 C ALA A 65 3.359 -5.870 0.172 1.00 0.00 C ATOM 878 O ALA A 65 4.378 -5.237 -0.059 1.00 0.00 O ATOM 879 CB ALA A 65 2.164 -7.706 1.372 1.00 0.00 C ATOM 0 H ALA A 65 2.463 -4.859 2.371 1.00 0.00 H new ATOM 0 HA ALA A 65 4.176 -7.018 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.428 -8.349 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.138 -8.297 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.183 -7.264 1.197 1.00 0.00 H new ATOM 885 N THR A 66 2.359 -5.968 -0.712 1.00 0.00 N ATOM 886 CA THR A 66 2.447 -5.390 -2.064 1.00 0.00 C ATOM 887 C THR A 66 2.170 -3.898 -2.137 1.00 0.00 C ATOM 888 O THR A 66 2.923 -3.189 -2.800 1.00 0.00 O ATOM 889 CB THR A 66 1.525 -6.132 -3.051 1.00 0.00 C ATOM 890 OG1 THR A 66 1.092 -7.369 -2.483 1.00 0.00 O ATOM 891 CG2 THR A 66 2.238 -6.417 -4.360 1.00 0.00 C ATOM 0 H THR A 66 1.477 -6.442 -0.518 1.00 0.00 H new ATOM 0 HA THR A 66 3.491 -5.524 -2.349 1.00 0.00 H new ATOM 0 HB THR A 66 0.667 -5.490 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.873 -7.919 -2.264 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.562 -6.941 -5.036 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.551 -5.478 -4.816 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.114 -7.037 -4.170 1.00 0.00 H new ATOM 899 N SER A 67 1.109 -3.392 -1.500 1.00 0.00 N ATOM 900 CA SER A 67 0.885 -1.941 -1.560 1.00 0.00 C ATOM 901 C SER A 67 2.212 -1.325 -1.232 1.00 0.00 C ATOM 902 O SER A 67 2.570 -0.234 -1.680 1.00 0.00 O ATOM 903 CB SER A 67 -0.182 -1.446 -0.603 1.00 0.00 C ATOM 904 OG SER A 67 -0.155 -0.036 -0.532 1.00 0.00 O ATOM 0 H SER A 67 0.426 -3.928 -0.965 1.00 0.00 H new ATOM 0 HA SER A 67 0.515 -1.664 -2.547 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.164 -1.782 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.018 -1.871 0.387 1.00 0.00 H new ATOM 0 HG SER A 67 -0.340 0.249 0.387 1.00 0.00 H new ATOM 910 N SER A 68 2.913 -2.080 -0.402 1.00 0.00 N ATOM 911 CA SER A 68 4.257 -1.827 -0.031 1.00 0.00 C ATOM 912 C SER A 68 4.463 -0.763 1.007 1.00 0.00 C ATOM 913 O SER A 68 4.295 0.428 0.767 1.00 0.00 O ATOM 914 CB SER A 68 5.100 -1.549 -1.253 1.00 0.00 C ATOM 915 OG SER A 68 6.392 -1.107 -0.883 1.00 0.00 O ATOM 0 H SER A 68 2.527 -2.915 0.038 1.00 0.00 H new ATOM 0 HA SER A 68 4.582 -2.746 0.457 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.179 -2.452 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.615 -0.793 -1.870 1.00 0.00 H new ATOM 0 HG SER A 68 6.822 -1.786 -0.322 1.00 0.00 H new ATOM 921 N ALA A 69 4.842 -1.256 2.164 1.00 0.00 N ATOM 922 CA ALA A 69 5.189 -0.439 3.312 1.00 0.00 C ATOM 923 C ALA A 69 5.240 -1.309 4.552 1.00 0.00 C ATOM 924 O ALA A 69 4.735 -0.945 5.614 1.00 0.00 O ATOM 925 CB ALA A 69 4.223 0.715 3.501 1.00 0.00 C ATOM 0 H ALA A 69 4.920 -2.258 2.340 1.00 0.00 H new ATOM 0 HA ALA A 69 6.171 -0.000 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.521 1.300 4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.237 1.350 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.216 0.326 3.653 1.00 0.00 H new ATOM 931 N THR A 70 5.862 -2.467 4.394 1.00 0.00 N ATOM 932 CA THR A 70 5.982 -3.429 5.473 1.00 0.00 C ATOM 933 C THR A 70 7.293 -3.251 6.217 1.00 0.00 C ATOM 934 O THR A 70 8.346 -3.712 5.778 1.00 0.00 O ATOM 935 CB THR A 70 5.871 -4.879 4.957 1.00 0.00 C ATOM 936 OG1 THR A 70 6.819 -5.717 5.622 1.00 0.00 O ATOM 937 CG2 THR A 70 6.086 -4.946 3.453 1.00 0.00 C ATOM 0 H THR A 70 6.295 -2.763 3.519 1.00 0.00 H new ATOM 0 HA THR A 70 5.155 -3.243 6.159 1.00 0.00 H new ATOM 0 HB THR A 70 4.864 -5.234 5.175 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.896 -6.569 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.002 -5.980 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.332 -4.340 2.950 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.078 -4.566 3.210 1.00 0.00 H new ATOM 945 N GLU A 71 7.212 -2.570 7.348 1.00 0.00 N ATOM 946 CA GLU A 71 8.372 -2.315 8.185 1.00 0.00 C ATOM 947 C GLU A 71 8.928 -3.621 8.739 1.00 0.00 C ATOM 948 O GLU A 71 9.960 -3.642 9.411 1.00 0.00 O ATOM 949 CB GLU A 71 7.972 -1.339 9.300 1.00 0.00 C ATOM 950 CG GLU A 71 8.979 -1.213 10.435 1.00 0.00 C ATOM 951 CD GLU A 71 8.722 -2.199 11.560 1.00 0.00 C ATOM 952 OE1 GLU A 71 7.592 -2.209 12.093 1.00 0.00 O ATOM 953 OE2 GLU A 71 9.650 -2.957 11.910 1.00 0.00 O ATOM 0 H GLU A 71 6.342 -2.179 7.711 1.00 0.00 H new ATOM 0 HA GLU A 71 9.168 -1.860 7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.816 -0.353 8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.016 -1.658 9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.984 -1.370 10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.947 -0.199 10.832 1.00 0.00 H new ATOM 960 N ALA A 72 8.254 -4.720 8.420 1.00 0.00 N ATOM 961 CA ALA A 72 8.677 -6.025 8.894 1.00 0.00 C ATOM 962 C ALA A 72 9.522 -6.772 7.860 1.00 0.00 C ATOM 963 O ALA A 72 10.396 -7.558 8.226 1.00 0.00 O ATOM 964 CB ALA A 72 7.468 -6.857 9.293 1.00 0.00 C ATOM 0 H ALA A 72 7.417 -4.730 7.838 1.00 0.00 H new ATOM 0 HA ALA A 72 9.308 -5.864 9.768 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.799 -7.833 9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.923 -6.349 10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.814 -6.986 8.430 1.00 0.00 H new ATOM 970 N CYS A 73 9.271 -6.531 6.572 1.00 0.00 N ATOM 971 CA CYS A 73 10.028 -7.208 5.517 1.00 0.00 C ATOM 972 C CYS A 73 10.839 -6.222 4.720 1.00 0.00 C ATOM 973 O CYS A 73 11.534 -6.601 3.780 1.00 0.00 O ATOM 974 CB CYS A 73 9.107 -7.916 4.526 1.00 0.00 C ATOM 975 SG CYS A 73 7.691 -8.778 5.268 1.00 0.00 S ATOM 0 H CYS A 73 8.560 -5.881 6.237 1.00 0.00 H new ATOM 0 HA CYS A 73 10.670 -7.930 6.023 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.732 -7.181 3.814 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.695 -8.638 3.959 1.00 0.00 H new ATOM 980 N LYS A 74 10.765 -4.959 5.091 1.00 0.00 N ATOM 981 CA LYS A 74 11.442 -3.948 4.322 1.00 0.00 C ATOM 982 C LYS A 74 12.952 -4.029 4.360 1.00 0.00 C ATOM 983 O LYS A 74 13.542 -5.106 4.274 1.00 0.00 O ATOM 984 CB LYS A 74 10.991 -2.551 4.685 1.00 0.00 C ATOM 985 CG LYS A 74 11.078 -1.621 3.491 1.00 0.00 C ATOM 986 CD LYS A 74 11.889 -0.397 3.788 1.00 0.00 C ATOM 987 CE LYS A 74 13.194 -0.302 3.065 1.00 0.00 C ATOM 988 NZ LYS A 74 13.386 1.034 2.435 1.00 0.00 N ATOM 0 H LYS A 74 10.252 -4.618 5.904 1.00 0.00 H new ATOM 0 HA LYS A 74 11.147 -4.164 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.965 -2.581 5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.609 -2.165 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.521 -2.153 2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.073 -1.325 3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.292 0.482 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.083 -0.362 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.010 -0.495 3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.241 -1.075 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.103 0.964 1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.486 1.357 2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.703 1.715 3.154 1.00 0.00 H new ATOM 1002 N GLY A 75 13.569 -2.867 4.495 1.00 0.00 N ATOM 1003 CA GLY A 75 14.991 -2.785 4.424 1.00 0.00 C ATOM 1004 C GLY A 75 15.339 -2.844 2.964 1.00 0.00 C ATOM 1005 O GLY A 75 16.494 -3.030 2.581 1.00 0.00 O ATOM 0 H GLY A 75 13.096 -1.978 4.654 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.351 -1.859 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.456 -3.606 4.969 1.00 0.00 H new ATOM 1009 N CYS A 76 14.285 -2.673 2.142 1.00 0.00 N ATOM 1010 CA CYS A 76 14.414 -2.742 0.710 1.00 0.00 C ATOM 1011 C CYS A 76 13.287 -2.031 -0.078 1.00 0.00 C ATOM 1012 O CYS A 76 13.577 -1.209 -0.942 1.00 0.00 O ATOM 1013 CB CYS A 76 14.405 -4.213 0.304 1.00 0.00 C ATOM 1014 SG CYS A 76 16.013 -5.061 0.417 1.00 0.00 S ATOM 0 H CYS A 76 13.337 -2.486 2.468 1.00 0.00 H new ATOM 0 HA CYS A 76 15.342 -2.227 0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.689 -4.742 0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.045 -4.288 -0.722 1.00 0.00 H new ATOM 1019 N LEU A 77 12.008 -2.280 0.252 1.00 0.00 N ATOM 1020 CA LEU A 77 10.910 -1.784 -0.615 1.00 0.00 C ATOM 1021 C LEU A 77 9.849 -0.817 -0.023 1.00 0.00 C ATOM 1022 O LEU A 77 8.926 -0.459 -0.749 1.00 0.00 O ATOM 1023 CB LEU A 77 10.181 -3.021 -1.156 1.00 0.00 C ATOM 1024 CG LEU A 77 8.973 -2.750 -2.064 1.00 0.00 C ATOM 1025 CD1 LEU A 77 9.404 -2.019 -3.311 1.00 0.00 C ATOM 1026 CD2 LEU A 77 8.240 -4.033 -2.416 1.00 0.00 C ATOM 0 H LEU A 77 11.710 -2.800 1.077 1.00 0.00 H new ATOM 0 HA LEU A 77 11.414 -1.160 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.898 -3.626 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.846 -3.620 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 77 8.277 -2.117 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.535 -1.835 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.861 -1.068 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.128 -2.625 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.391 -3.802 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.918 -4.708 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.884 -4.511 -1.503 1.00 0.00 H new ATOM 1038 N TRP A 78 9.954 -0.355 1.218 1.00 0.00 N ATOM 1039 CA TRP A 78 8.908 0.539 1.770 1.00 0.00 C ATOM 1040 C TRP A 78 8.233 1.367 0.678 1.00 0.00 C ATOM 1041 O TRP A 78 8.946 2.078 -0.056 1.00 0.00 O ATOM 1042 CB TRP A 78 9.445 1.483 2.860 1.00 0.00 C ATOM 1043 CG TRP A 78 9.284 0.960 4.260 1.00 0.00 C ATOM 1044 CD1 TRP A 78 8.378 0.058 4.702 1.00 0.00 C ATOM 1045 CD2 TRP A 78 10.113 1.272 5.380 1.00 0.00 C ATOM 1046 NE1 TRP A 78 8.572 -0.202 6.033 1.00 0.00 N ATOM 1047 CE2 TRP A 78 9.637 0.539 6.470 1.00 0.00 C ATOM 1048 CE3 TRP A 78 11.214 2.103 5.553 1.00 0.00 C ATOM 1049 CZ2 TRP A 78 10.224 0.615 7.721 1.00 0.00 C ATOM 1050 CZ3 TRP A 78 11.802 2.182 6.797 1.00 0.00 C ATOM 1051 CH2 TRP A 78 11.302 1.443 7.872 1.00 0.00 C ATOM 1052 OXT TRP A 78 6.992 1.292 0.565 1.00 0.00 O ATOM 0 H TRP A 78 10.722 -0.568 1.855 1.00 0.00 H new ATOM 0 HA TRP A 78 8.172 -0.124 2.225 1.00 0.00 H new ATOM 0 HB2 TRP A 78 10.502 1.671 2.674 1.00 0.00 H new ATOM 0 HB3 TRP A 78 8.932 2.441 2.781 1.00 0.00 H new ATOM 0 HD1 TRP A 78 7.610 -0.394 4.092 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.016 -0.840 6.603 1.00 0.00 H new ATOM 0 HE3 TRP A 78 11.603 2.678 4.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 9.843 0.039 8.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 12.659 2.823 6.942 1.00 0.00 H new ATOM 0 HH2 TRP A 78 11.775 1.527 8.839 1.00 0.00 H new TER 1063 TRP A 78 ATOM 1064 N ASP B 1 -0.461 14.059 -2.908 1.00 0.00 N ATOM 1065 CA ASP B 1 1.000 13.814 -3.033 1.00 0.00 C ATOM 1066 C ASP B 1 1.466 12.787 -2.008 1.00 0.00 C ATOM 1067 O ASP B 1 0.656 12.192 -1.296 1.00 0.00 O ATOM 1068 CB ASP B 1 1.770 15.121 -2.844 1.00 0.00 C ATOM 1069 CG ASP B 1 1.630 15.676 -1.440 1.00 0.00 C ATOM 1070 OD1 ASP B 1 0.658 16.418 -1.190 1.00 0.00 O ATOM 1071 OD2 ASP B 1 2.493 15.368 -0.590 1.00 0.00 O ATOM 0 H1 ASP B 1 -0.940 13.752 -3.778 1.00 0.00 H new ATOM 0 H2 ASP B 1 -0.835 13.523 -2.099 1.00 0.00 H new ATOM 0 H3 ASP B 1 -0.631 15.074 -2.759 1.00 0.00 H new ATOM 0 HA ASP B 1 1.196 13.422 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP B 1 2.825 14.953 -3.062 1.00 0.00 H new ATOM 0 HB3 ASP B 1 1.410 15.859 -3.561 1.00 0.00 H new ATOM 1078 N GLN B 2 2.778 12.581 -1.939 1.00 0.00 N ATOM 1079 CA GLN B 2 3.354 11.628 -0.999 1.00 0.00 C ATOM 1080 C GLN B 2 4.710 12.139 -0.483 1.00 0.00 C ATOM 1081 O GLN B 2 5.581 12.510 -1.270 1.00 0.00 O ATOM 1082 CB GLN B 2 3.484 10.242 -1.672 1.00 0.00 C ATOM 1083 CG GLN B 2 4.903 9.852 -2.067 1.00 0.00 C ATOM 1084 CD GLN B 2 5.465 10.722 -3.175 1.00 0.00 C ATOM 1085 OE1 GLN B 2 4.724 11.241 -4.010 1.00 0.00 O ATOM 1086 NE2 GLN B 2 6.784 10.883 -3.188 1.00 0.00 N ATOM 0 H GLN B 2 3.462 13.062 -2.524 1.00 0.00 H new ATOM 0 HA GLN B 2 2.694 11.524 -0.138 1.00 0.00 H new ATOM 0 HB2 GLN B 2 3.091 9.486 -0.993 1.00 0.00 H new ATOM 0 HB3 GLN B 2 2.857 10.227 -2.563 1.00 0.00 H new ATOM 0 HG2 GLN B 2 5.551 9.921 -1.193 1.00 0.00 H new ATOM 0 HG3 GLN B 2 4.912 8.811 -2.389 1.00 0.00 H new ATOM 0 HE21 GLN B 2 7.360 10.434 -2.476 1.00 0.00 H new ATOM 0 HE22 GLN B 2 7.221 11.456 -3.910 1.00 0.00 H new ATOM 1095 N PRO B 3 4.894 12.221 0.849 1.00 0.00 N ATOM 1096 CA PRO B 3 6.147 12.674 1.448 1.00 0.00 C ATOM 1097 C PRO B 3 7.113 11.515 1.676 1.00 0.00 C ATOM 1098 O PRO B 3 8.319 11.710 1.824 1.00 0.00 O ATOM 1099 CB PRO B 3 5.704 13.273 2.791 1.00 0.00 C ATOM 1100 CG PRO B 3 4.254 12.912 2.965 1.00 0.00 C ATOM 1101 CD PRO B 3 3.907 11.921 1.886 1.00 0.00 C ATOM 0 HA PRO B 3 6.680 13.380 0.811 1.00 0.00 H new ATOM 0 HB2 PRO B 3 6.303 12.875 3.610 1.00 0.00 H new ATOM 0 HB3 PRO B 3 5.837 14.355 2.796 1.00 0.00 H new ATOM 0 HG2 PRO B 3 4.081 12.482 3.952 1.00 0.00 H new ATOM 0 HG3 PRO B 3 3.625 13.799 2.889 1.00 0.00 H new ATOM 0 HD2 PRO B 3 3.989 10.893 2.238 1.00 0.00 H new ATOM 0 HD3 PRO B 3 2.887 12.054 1.526 1.00 0.00 H new ATOM 1109 N SER B 4 6.556 10.311 1.699 1.00 0.00 N ATOM 1110 CA SER B 4 7.322 9.089 1.910 1.00 0.00 C ATOM 1111 C SER B 4 6.409 7.896 1.711 1.00 0.00 C ATOM 1112 O SER B 4 5.241 8.070 1.390 1.00 0.00 O ATOM 1113 CB SER B 4 7.888 9.056 3.325 1.00 0.00 C ATOM 1114 OG SER B 4 8.833 8.011 3.475 1.00 0.00 O ATOM 0 H SER B 4 5.556 10.154 1.571 1.00 0.00 H new ATOM 0 HA SER B 4 8.147 9.057 1.199 1.00 0.00 H new ATOM 0 HB2 SER B 4 8.360 10.012 3.553 1.00 0.00 H new ATOM 0 HB3 SER B 4 7.077 8.922 4.041 1.00 0.00 H new ATOM 0 HG SER B 4 9.181 8.014 4.391 1.00 0.00 H new ATOM 1120 N VAL B 5 6.923 6.689 1.895 1.00 0.00 N ATOM 1121 CA VAL B 5 6.087 5.510 1.736 1.00 0.00 C ATOM 1122 C VAL B 5 5.114 5.388 2.910 1.00 0.00 C ATOM 1123 O VAL B 5 3.906 5.272 2.712 1.00 0.00 O ATOM 1124 CB VAL B 5 6.911 4.205 1.588 1.00 0.00 C ATOM 1125 CG1 VAL B 5 8.384 4.504 1.329 1.00 0.00 C ATOM 1126 CG2 VAL B 5 6.729 3.288 2.797 1.00 0.00 C ATOM 0 H VAL B 5 7.893 6.502 2.149 1.00 0.00 H new ATOM 0 HA VAL B 5 5.529 5.641 0.809 1.00 0.00 H new ATOM 0 HB VAL B 5 6.528 3.673 0.717 1.00 0.00 H new ATOM 0 HG11 VAL B 5 8.933 3.568 1.230 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.482 5.081 0.409 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.791 5.077 2.162 1.00 0.00 H new ATOM 0 HG21 VAL B 5 7.321 2.383 2.660 1.00 0.00 H new ATOM 0 HG22 VAL B 5 7.060 3.804 3.698 1.00 0.00 H new ATOM 0 HG23 VAL B 5 5.677 3.022 2.897 1.00 0.00 H new ATOM 1136 N GLY B 6 5.647 5.426 4.133 1.00 0.00 N ATOM 1137 CA GLY B 6 4.806 5.311 5.311 1.00 0.00 C ATOM 1138 C GLY B 6 3.906 6.516 5.477 1.00 0.00 C ATOM 1139 O GLY B 6 2.716 6.381 5.773 1.00 0.00 O ATOM 0 H GLY B 6 6.643 5.534 4.325 1.00 0.00 H new ATOM 0 HA2 GLY B 6 4.197 4.410 5.237 1.00 0.00 H new ATOM 0 HA3 GLY B 6 5.433 5.200 6.196 1.00 0.00 H new ATOM 1143 N ASP B 7 4.474 7.701 5.281 1.00 0.00 N ATOM 1144 CA ASP B 7 3.711 8.936 5.387 1.00 0.00 C ATOM 1145 C ASP B 7 2.613 8.938 4.344 1.00 0.00 C ATOM 1146 O ASP B 7 1.502 9.409 4.589 1.00 0.00 O ATOM 1147 CB ASP B 7 4.618 10.147 5.184 1.00 0.00 C ATOM 1148 CG ASP B 7 5.682 10.264 6.259 1.00 0.00 C ATOM 1149 OD1 ASP B 7 6.692 9.535 6.176 1.00 0.00 O ATOM 1150 OD2 ASP B 7 5.504 11.086 7.181 1.00 0.00 O ATOM 0 H ASP B 7 5.459 7.831 5.048 1.00 0.00 H new ATOM 0 HA ASP B 7 3.273 8.996 6.383 1.00 0.00 H new ATOM 0 HB2 ASP B 7 5.099 10.077 4.208 1.00 0.00 H new ATOM 0 HB3 ASP B 7 4.012 11.053 5.177 1.00 0.00 H new ATOM 1155 N ALA B 8 2.943 8.407 3.172 1.00 0.00 N ATOM 1156 CA ALA B 8 1.988 8.318 2.087 1.00 0.00 C ATOM 1157 C ALA B 8 0.734 7.635 2.564 1.00 0.00 C ATOM 1158 O ALA B 8 -0.366 8.127 2.345 1.00 0.00 O ATOM 1159 CB ALA B 8 2.565 7.539 0.929 1.00 0.00 C ATOM 0 H ALA B 8 3.867 8.033 2.954 1.00 0.00 H new ATOM 0 HA ALA B 8 1.756 9.329 1.754 1.00 0.00 H new ATOM 0 HB1 ALA B 8 1.831 7.485 0.125 1.00 0.00 H new ATOM 0 HB2 ALA B 8 3.464 8.038 0.566 1.00 0.00 H new ATOM 0 HB3 ALA B 8 2.818 6.531 1.258 1.00 0.00 H new ATOM 1165 N PHE B 9 0.911 6.489 3.217 1.00 0.00 N ATOM 1166 CA PHE B 9 -0.213 5.745 3.722 1.00 0.00 C ATOM 1167 C PHE B 9 -1.134 6.651 4.531 1.00 0.00 C ATOM 1168 O PHE B 9 -2.316 6.705 4.263 1.00 0.00 O ATOM 1169 CB PHE B 9 0.242 4.525 4.506 1.00 0.00 C ATOM 1170 CG PHE B 9 0.427 3.356 3.598 1.00 0.00 C ATOM 1171 CD1 PHE B 9 1.630 3.171 2.949 1.00 0.00 C ATOM 1172 CD2 PHE B 9 -0.606 2.462 3.362 1.00 0.00 C ATOM 1173 CE1 PHE B 9 1.809 2.118 2.084 1.00 0.00 C ATOM 1174 CE2 PHE B 9 -0.430 1.407 2.491 1.00 0.00 C ATOM 1175 CZ PHE B 9 0.781 1.238 1.852 1.00 0.00 C ATOM 0 H PHE B 9 1.821 6.067 3.402 1.00 0.00 H new ATOM 0 HA PHE B 9 -0.791 5.370 2.877 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.178 4.745 5.020 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.494 4.284 5.273 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.441 3.862 3.123 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -1.554 2.592 3.863 1.00 0.00 H new ATOM 0 HE1 PHE B 9 2.758 1.983 1.587 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -1.239 0.715 2.310 1.00 0.00 H new ATOM 0 HZ PHE B 9 0.920 0.413 1.169 1.00 0.00 H new ATOM 1185 N ASP B 10 -0.587 7.439 5.450 1.00 0.00 N ATOM 1186 CA ASP B 10 -1.428 8.323 6.261 1.00 0.00 C ATOM 1187 C ASP B 10 -2.452 9.027 5.370 1.00 0.00 C ATOM 1188 O ASP B 10 -3.664 8.975 5.612 1.00 0.00 O ATOM 1189 CB ASP B 10 -0.568 9.356 6.992 1.00 0.00 C ATOM 1190 CG ASP B 10 -1.395 10.301 7.842 1.00 0.00 C ATOM 1191 OD1 ASP B 10 -1.842 11.339 7.313 1.00 0.00 O ATOM 1192 OD2 ASP B 10 -1.595 10.002 9.039 1.00 0.00 O ATOM 0 H ASP B 10 0.412 7.487 5.652 1.00 0.00 H new ATOM 0 HA ASP B 10 -1.954 7.723 7.004 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.154 8.841 7.625 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.001 9.932 6.263 1.00 0.00 H new ATOM 1197 N LYS B 11 -1.944 9.650 4.317 1.00 0.00 N ATOM 1198 CA LYS B 11 -2.775 10.351 3.341 1.00 0.00 C ATOM 1199 C LYS B 11 -3.688 9.356 2.642 1.00 0.00 C ATOM 1200 O LYS B 11 -4.898 9.549 2.521 1.00 0.00 O ATOM 1201 CB LYS B 11 -1.880 11.017 2.311 1.00 0.00 C ATOM 1202 CG LYS B 11 -2.544 12.136 1.565 1.00 0.00 C ATOM 1203 CD LYS B 11 -1.983 13.406 2.084 1.00 0.00 C ATOM 1204 CE LYS B 11 -2.874 14.603 1.789 1.00 0.00 C ATOM 1205 NZ LYS B 11 -3.064 14.805 0.326 1.00 0.00 N ATOM 0 H LYS B 11 -0.945 9.686 4.112 1.00 0.00 H new ATOM 0 HA LYS B 11 -3.378 11.103 3.849 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -0.991 11.403 2.811 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -1.543 10.266 1.596 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -2.362 12.045 0.494 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -3.624 12.106 1.709 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -1.839 13.322 3.161 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -1.000 13.572 1.643 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -3.844 14.460 2.265 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -2.434 15.500 2.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -3.635 15.659 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -2.137 14.916 -0.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -3.553 13.981 -0.078 1.00 0.00 H new ATOM 1219 N TYR B 12 -3.050 8.293 2.190 1.00 0.00 N ATOM 1220 CA TYR B 12 -3.678 7.182 1.503 1.00 0.00 C ATOM 1221 C TYR B 12 -4.946 6.741 2.210 1.00 0.00 C ATOM 1222 O TYR B 12 -6.044 6.883 1.687 1.00 0.00 O ATOM 1223 CB TYR B 12 -2.686 6.030 1.570 1.00 0.00 C ATOM 1224 CG TYR B 12 -2.344 5.325 0.289 1.00 0.00 C ATOM 1225 CD1 TYR B 12 -1.855 6.020 -0.811 1.00 0.00 C ATOM 1226 CD2 TYR B 12 -2.455 3.942 0.201 1.00 0.00 C ATOM 1227 CE1 TYR B 12 -1.500 5.357 -1.968 1.00 0.00 C ATOM 1228 CE2 TYR B 12 -2.091 3.280 -0.949 1.00 0.00 C ATOM 1229 CZ TYR B 12 -1.619 3.985 -2.025 1.00 0.00 C ATOM 1230 OH TYR B 12 -1.272 3.307 -3.165 1.00 0.00 O ATOM 0 H TYR B 12 -2.042 8.176 2.296 1.00 0.00 H new ATOM 0 HA TYR B 12 -3.936 7.473 0.485 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -1.760 6.410 2.001 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -3.080 5.289 2.265 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -1.751 7.094 -0.759 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -2.831 3.381 1.044 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -1.132 5.908 -2.821 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -2.177 2.205 -1.004 1.00 0.00 H new ATOM 0 HH TYR B 12 -1.981 3.407 -3.834 1.00 0.00 H new ATOM 1240 N ASN B 13 -4.755 6.264 3.435 1.00 0.00 N ATOM 1241 CA ASN B 13 -5.825 5.736 4.267 1.00 0.00 C ATOM 1242 C ASN B 13 -7.066 6.603 4.229 1.00 0.00 C ATOM 1243 O ASN B 13 -8.134 6.154 3.820 1.00 0.00 O ATOM 1244 CB ASN B 13 -5.359 5.619 5.713 1.00 0.00 C ATOM 1245 CG ASN B 13 -3.861 5.402 5.879 1.00 0.00 C ATOM 1246 OD1 ASN B 13 -3.218 4.727 4.924 1.00 0.00 O flip ATOM 1247 ND2 ASN B 13 -3.278 5.841 6.871 1.00 0.00 N flip ATOM 0 H ASN B 13 -3.839 6.234 3.882 1.00 0.00 H new ATOM 0 HA ASN B 13 -6.078 4.755 3.865 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -5.643 6.526 6.247 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -5.888 4.791 6.186 1.00 0.00 H new ATOM 0 HD21 ASN B 13 -3.798 6.353 7.583 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -2.275 5.693 6.980 1.00 0.00 H new ATOM 1254 N GLU B 14 -6.921 7.838 4.670 1.00 0.00 N ATOM 1255 CA GLU B 14 -8.040 8.771 4.684 1.00 0.00 C ATOM 1256 C GLU B 14 -8.738 8.749 3.344 1.00 0.00 C ATOM 1257 O GLU B 14 -9.961 8.655 3.250 1.00 0.00 O ATOM 1258 CB GLU B 14 -7.515 10.171 4.971 1.00 0.00 C ATOM 1259 CG GLU B 14 -6.465 10.165 6.045 1.00 0.00 C ATOM 1260 CD GLU B 14 -5.741 11.490 6.174 1.00 0.00 C ATOM 1261 OE1 GLU B 14 -6.305 12.415 6.794 1.00 0.00 O ATOM 1262 OE2 GLU B 14 -4.610 11.601 5.658 1.00 0.00 O ATOM 0 H GLU B 14 -6.044 8.221 5.023 1.00 0.00 H new ATOM 0 HA GLU B 14 -8.751 8.482 5.458 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -7.098 10.597 4.058 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -8.341 10.814 5.274 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -6.931 9.918 6.999 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -5.739 9.380 5.831 1.00 0.00 H new ATOM 1269 N ALA B 15 -7.920 8.776 2.315 1.00 0.00 N ATOM 1270 CA ALA B 15 -8.386 8.792 0.941 1.00 0.00 C ATOM 1271 C ALA B 15 -9.065 7.496 0.530 1.00 0.00 C ATOM 1272 O ALA B 15 -10.067 7.519 -0.186 1.00 0.00 O ATOM 1273 CB ALA B 15 -7.208 9.055 0.014 1.00 0.00 C ATOM 0 H ALA B 15 -6.904 8.788 2.406 1.00 0.00 H new ATOM 0 HA ALA B 15 -9.130 9.585 0.864 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -7.554 9.068 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -6.760 10.018 0.259 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -6.465 8.268 0.138 1.00 0.00 H new ATOM 1279 N VAL B 16 -8.546 6.368 0.993 1.00 0.00 N ATOM 1280 CA VAL B 16 -9.083 5.099 0.571 1.00 0.00 C ATOM 1281 C VAL B 16 -10.208 4.616 1.425 1.00 0.00 C ATOM 1282 O VAL B 16 -11.286 4.305 0.924 1.00 0.00 O ATOM 1283 CB VAL B 16 -8.000 4.025 0.454 1.00 0.00 C ATOM 1284 CG1 VAL B 16 -7.015 4.117 1.608 1.00 0.00 C ATOM 1285 CG2 VAL B 16 -8.627 2.638 0.370 1.00 0.00 C ATOM 0 H VAL B 16 -7.767 6.313 1.649 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.495 5.282 -0.422 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.444 4.199 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.256 3.342 1.501 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.537 5.097 1.602 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.545 3.978 2.550 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -7.841 1.888 0.287 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.215 2.450 1.268 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.274 2.584 -0.506 1.00 0.00 H new ATOM 1295 N ARG B 17 -9.956 4.532 2.703 1.00 0.00 N ATOM 1296 CA ARG B 17 -10.952 4.053 3.608 1.00 0.00 C ATOM 1297 C ARG B 17 -12.269 4.709 3.359 1.00 0.00 C ATOM 1298 O ARG B 17 -13.322 4.062 3.397 1.00 0.00 O ATOM 1299 CB ARG B 17 -10.467 4.179 5.042 1.00 0.00 C ATOM 1300 CG ARG B 17 -9.172 3.427 5.281 1.00 0.00 C ATOM 1301 CD ARG B 17 -9.036 2.218 4.370 1.00 0.00 C ATOM 1302 NE ARG B 17 -7.737 2.126 3.788 1.00 0.00 N ATOM 1303 CZ ARG B 17 -7.460 1.291 2.828 1.00 0.00 C ATOM 1304 NH1 ARG B 17 -8.257 0.273 2.568 1.00 0.00 N ATOM 1305 NH2 ARG B 17 -6.362 1.442 2.158 1.00 0.00 N ATOM 0 H ARG B 17 -9.069 4.790 3.136 1.00 0.00 H new ATOM 0 HA ARG B 17 -11.118 2.990 3.430 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -10.322 5.232 5.283 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -11.234 3.800 5.717 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -8.329 4.098 5.120 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -9.128 3.103 6.321 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.243 1.311 4.939 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.784 2.275 3.579 1.00 0.00 H new ATOM 0 HE ARG B 17 -6.998 2.737 4.137 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.102 0.132 3.122 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -8.028 -0.374 1.813 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -5.727 2.207 2.385 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.132 0.795 1.403 1.00 0.00 H new ATOM 1319 N VAL B 18 -12.228 5.965 3.033 1.00 0.00 N ATOM 1320 CA VAL B 18 -13.450 6.640 2.756 1.00 0.00 C ATOM 1321 C VAL B 18 -13.985 6.216 1.395 1.00 0.00 C ATOM 1322 O VAL B 18 -15.133 5.833 1.283 1.00 0.00 O ATOM 1323 CB VAL B 18 -13.264 8.162 2.795 1.00 0.00 C ATOM 1324 CG1 VAL B 18 -12.715 8.583 4.151 1.00 0.00 C ATOM 1325 CG2 VAL B 18 -12.342 8.608 1.669 1.00 0.00 C ATOM 0 H VAL B 18 -11.382 6.529 2.954 1.00 0.00 H new ATOM 0 HA VAL B 18 -14.170 6.366 3.527 1.00 0.00 H new ATOM 0 HB VAL B 18 -14.230 8.645 2.651 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -12.586 9.665 4.171 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -13.413 8.286 4.934 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.753 8.099 4.320 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -12.218 9.690 1.707 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -11.370 8.127 1.782 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -12.777 8.326 0.710 1.00 0.00 H new ATOM 1335 N PHE B 19 -13.110 6.153 0.398 1.00 0.00 N ATOM 1336 CA PHE B 19 -13.533 5.864 -0.968 1.00 0.00 C ATOM 1337 C PHE B 19 -14.107 4.452 -1.167 1.00 0.00 C ATOM 1338 O PHE B 19 -15.139 4.277 -1.844 1.00 0.00 O ATOM 1339 CB PHE B 19 -12.372 6.214 -1.948 1.00 0.00 C ATOM 1340 CG PHE B 19 -11.374 5.138 -2.336 1.00 0.00 C ATOM 1341 CD1 PHE B 19 -11.756 3.855 -2.663 1.00 0.00 C ATOM 1342 CD2 PHE B 19 -10.028 5.447 -2.395 1.00 0.00 C ATOM 1343 CE1 PHE B 19 -10.826 2.901 -3.018 1.00 0.00 C ATOM 1344 CE2 PHE B 19 -9.088 4.499 -2.748 1.00 0.00 C ATOM 1345 CZ PHE B 19 -9.489 3.221 -3.054 1.00 0.00 C ATOM 0 H PHE B 19 -12.106 6.298 0.509 1.00 0.00 H new ATOM 0 HA PHE B 19 -14.385 6.503 -1.198 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -12.822 6.590 -2.867 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -11.810 7.038 -1.508 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -12.803 3.592 -2.641 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -9.705 6.450 -2.160 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -11.148 1.901 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -8.041 4.761 -2.783 1.00 0.00 H new ATOM 0 HZ PHE B 19 -8.758 2.472 -3.321 1.00 0.00 H new ATOM 1355 N THR B 20 -13.516 3.443 -0.545 1.00 0.00 N ATOM 1356 CA THR B 20 -13.988 2.096 -0.789 1.00 0.00 C ATOM 1357 C THR B 20 -15.245 1.763 -0.005 1.00 0.00 C ATOM 1358 O THR B 20 -16.228 1.320 -0.600 1.00 0.00 O ATOM 1359 CB THR B 20 -12.902 1.048 -0.546 1.00 0.00 C ATOM 1360 OG1 THR B 20 -12.052 0.965 -1.678 1.00 0.00 O ATOM 1361 CG2 THR B 20 -13.509 -0.306 -0.262 1.00 0.00 C ATOM 0 H THR B 20 -12.737 3.527 0.108 1.00 0.00 H new ATOM 0 HA THR B 20 -14.249 2.064 -1.847 1.00 0.00 H new ATOM 0 HB THR B 20 -12.322 1.353 0.325 1.00 0.00 H new ATOM 0 HG1 THR B 20 -11.516 1.782 -1.745 1.00 0.00 H new ATOM 0 HG21 THR B 20 -12.714 -1.033 -0.093 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.139 -0.244 0.626 1.00 0.00 H new ATOM 0 HG23 THR B 20 -14.113 -0.620 -1.114 1.00 0.00 H new ATOM 1369 N GLN B 21 -15.249 1.956 1.315 1.00 0.00 N ATOM 1370 CA GLN B 21 -16.460 1.651 2.050 1.00 0.00 C ATOM 1371 C GLN B 21 -17.543 2.615 1.608 1.00 0.00 C ATOM 1372 O GLN B 21 -18.712 2.427 1.913 1.00 0.00 O ATOM 1373 CB GLN B 21 -16.257 1.660 3.567 1.00 0.00 C ATOM 1374 CG GLN B 21 -15.774 0.309 4.128 1.00 0.00 C ATOM 1375 CD GLN B 21 -16.341 -0.880 3.388 1.00 0.00 C ATOM 1376 OE1 GLN B 21 -15.650 -1.292 2.332 1.00 0.00 O flip ATOM 1377 NE2 GLN B 21 -17.386 -1.418 3.755 1.00 0.00 N flip ATOM 0 H GLN B 21 -14.466 2.305 1.868 1.00 0.00 H new ATOM 0 HA GLN B 21 -16.764 0.630 1.820 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -15.532 2.432 3.824 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -17.196 1.931 4.050 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -14.686 0.272 4.082 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -16.051 0.240 5.180 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -17.881 -1.065 4.574 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -17.756 -2.217 3.240 1.00 0.00 H new ATOM 1386 N LEU B 22 -17.148 3.664 0.880 1.00 0.00 N ATOM 1387 CA LEU B 22 -18.130 4.589 0.346 1.00 0.00 C ATOM 1388 C LEU B 22 -19.074 3.783 -0.514 1.00 0.00 C ATOM 1389 O LEU B 22 -20.290 3.934 -0.434 1.00 0.00 O ATOM 1390 CB LEU B 22 -17.497 5.700 -0.510 1.00 0.00 C ATOM 1391 CG LEU B 22 -17.182 7.037 0.191 1.00 0.00 C ATOM 1392 CD1 LEU B 22 -17.864 8.179 -0.535 1.00 0.00 C ATOM 1393 CD2 LEU B 22 -17.578 7.031 1.668 1.00 0.00 C ATOM 0 H LEU B 22 -16.178 3.884 0.655 1.00 0.00 H new ATOM 0 HA LEU B 22 -18.637 5.081 1.176 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -16.570 5.314 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -18.167 5.906 -1.345 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.102 7.176 0.153 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -17.635 9.118 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.506 8.222 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -18.942 8.019 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -17.335 7.995 2.114 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -18.649 6.850 1.757 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -17.033 6.243 2.188 1.00 0.00 H new ATOM 1405 N SER B 23 -18.491 2.911 -1.337 1.00 0.00 N ATOM 1406 CA SER B 23 -19.299 2.053 -2.199 1.00 0.00 C ATOM 1407 C SER B 23 -20.036 0.969 -1.396 1.00 0.00 C ATOM 1408 O SER B 23 -21.240 0.775 -1.571 1.00 0.00 O ATOM 1409 CB SER B 23 -18.440 1.420 -3.300 1.00 0.00 C ATOM 1410 OG SER B 23 -18.159 2.360 -4.323 1.00 0.00 O ATOM 0 H SER B 23 -17.483 2.782 -1.424 1.00 0.00 H new ATOM 0 HA SER B 23 -20.054 2.684 -2.669 1.00 0.00 H new ATOM 0 HB2 SER B 23 -17.507 1.051 -2.873 1.00 0.00 H new ATOM 0 HB3 SER B 23 -18.959 0.560 -3.723 1.00 0.00 H new ATOM 0 HG SER B 23 -17.228 2.656 -4.248 1.00 0.00 H new ATOM 1416 N SER B 24 -19.325 0.262 -0.515 1.00 0.00 N ATOM 1417 CA SER B 24 -19.945 -0.795 0.288 1.00 0.00 C ATOM 1418 C SER B 24 -20.974 -0.244 1.255 1.00 0.00 C ATOM 1419 O SER B 24 -22.146 -0.621 1.206 1.00 0.00 O ATOM 1420 CB SER B 24 -18.899 -1.572 1.072 1.00 0.00 C ATOM 1421 OG SER B 24 -19.493 -2.322 2.116 1.00 0.00 O ATOM 0 H SER B 24 -18.330 0.400 -0.340 1.00 0.00 H new ATOM 0 HA SER B 24 -20.446 -1.461 -0.414 1.00 0.00 H new ATOM 0 HB2 SER B 24 -18.361 -2.241 0.401 1.00 0.00 H new ATOM 0 HB3 SER B 24 -18.166 -0.881 1.489 1.00 0.00 H new ATOM 0 HG SER B 24 -20.465 -2.201 2.093 1.00 0.00 H new ATOM 1427 N ALA B 25 -20.524 0.633 2.146 1.00 0.00 N ATOM 1428 CA ALA B 25 -21.404 1.241 3.127 1.00 0.00 C ATOM 1429 C ALA B 25 -22.647 1.754 2.426 1.00 0.00 C ATOM 1430 O ALA B 25 -23.744 1.741 2.980 1.00 0.00 O ATOM 1431 CB ALA B 25 -20.687 2.376 3.858 1.00 0.00 C ATOM 0 H ALA B 25 -19.552 0.937 2.206 1.00 0.00 H new ATOM 0 HA ALA B 25 -21.692 0.497 3.869 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -21.361 2.821 4.590 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -19.807 1.982 4.367 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -20.380 3.135 3.139 1.00 0.00 H new ATOM 1437 N ALA B 26 -22.458 2.168 1.179 1.00 0.00 N ATOM 1438 CA ALA B 26 -23.549 2.687 0.369 1.00 0.00 C ATOM 1439 C ALA B 26 -24.634 1.642 0.135 1.00 0.00 C ATOM 1440 O ALA B 26 -25.820 1.968 0.186 1.00 0.00 O ATOM 1441 CB ALA B 26 -23.028 3.215 -0.962 1.00 0.00 C ATOM 0 H ALA B 26 -21.554 2.153 0.706 1.00 0.00 H new ATOM 0 HA ALA B 26 -23.999 3.510 0.925 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -23.860 3.598 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -22.312 4.017 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -22.538 2.408 -1.507 1.00 0.00 H new ATOM 1447 N ASN B 27 -24.250 0.387 -0.123 1.00 0.00 N ATOM 1448 CA ASN B 27 -25.262 -0.642 -0.369 1.00 0.00 C ATOM 1449 C ASN B 27 -24.773 -2.088 -0.197 1.00 0.00 C ATOM 1450 O ASN B 27 -25.519 -2.924 0.314 1.00 0.00 O ATOM 1451 CB ASN B 27 -25.847 -0.469 -1.774 1.00 0.00 C ATOM 1452 CG ASN B 27 -24.817 -0.042 -2.809 1.00 0.00 C ATOM 1453 OD1 ASN B 27 -23.541 -0.306 -2.543 1.00 0.00 O flip ATOM 1454 ND2 ASN B 27 -25.168 0.534 -3.838 1.00 0.00 N flip ATOM 0 H ASN B 27 -23.282 0.068 -0.166 1.00 0.00 H new ATOM 0 HA ASN B 27 -26.019 -0.490 0.400 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -26.300 -1.409 -2.089 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -26.645 0.273 -1.739 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -26.157 0.719 -4.007 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -24.470 0.826 -4.522 1.00 0.00 H new ATOM 1461 N CYS B 28 -23.544 -2.395 -0.606 1.00 0.00 N ATOM 1462 CA CYS B 28 -23.050 -3.771 -0.519 1.00 0.00 C ATOM 1463 C CYS B 28 -21.577 -3.868 -0.888 1.00 0.00 C ATOM 1464 O CYS B 28 -21.019 -2.945 -1.441 1.00 0.00 O ATOM 1465 CB CYS B 28 -23.873 -4.648 -1.471 1.00 0.00 C ATOM 1466 SG CYS B 28 -22.944 -5.967 -2.311 1.00 0.00 S ATOM 0 H CYS B 28 -22.881 -1.725 -0.995 1.00 0.00 H new ATOM 0 HA CYS B 28 -23.155 -4.111 0.511 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -24.688 -5.102 -0.907 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -24.327 -4.008 -2.227 1.00 0.00 H new ATOM 1471 N ASP B 29 -20.956 -4.994 -0.567 1.00 0.00 N ATOM 1472 CA ASP B 29 -19.549 -5.226 -0.899 1.00 0.00 C ATOM 1473 C ASP B 29 -19.425 -6.337 -1.924 1.00 0.00 C ATOM 1474 O ASP B 29 -20.286 -7.214 -1.994 1.00 0.00 O ATOM 1475 CB ASP B 29 -18.776 -5.650 0.337 1.00 0.00 C ATOM 1476 CG ASP B 29 -17.304 -5.388 0.231 1.00 0.00 C ATOM 1477 OD1 ASP B 29 -16.623 -6.140 -0.488 1.00 0.00 O ATOM 1478 OD2 ASP B 29 -16.828 -4.439 0.882 1.00 0.00 O ATOM 0 H ASP B 29 -21.403 -5.767 -0.075 1.00 0.00 H new ATOM 0 HA ASP B 29 -19.145 -4.295 -1.297 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -19.171 -5.121 1.204 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -18.938 -6.714 0.512 1.00 0.00 H new ATOM 1483 N TRP B 30 -18.359 -6.318 -2.717 1.00 0.00 N ATOM 1484 CA TRP B 30 -18.174 -7.390 -3.680 1.00 0.00 C ATOM 1485 C TRP B 30 -17.722 -8.633 -2.919 1.00 0.00 C ATOM 1486 O TRP B 30 -18.182 -9.739 -3.193 1.00 0.00 O ATOM 1487 CB TRP B 30 -17.190 -7.029 -4.822 1.00 0.00 C ATOM 1488 CG TRP B 30 -15.870 -6.513 -4.394 1.00 0.00 C ATOM 1489 CD1 TRP B 30 -14.913 -7.122 -3.643 1.00 0.00 C ATOM 1490 CD2 TRP B 30 -15.361 -5.249 -4.754 1.00 0.00 C ATOM 1491 NE1 TRP B 30 -13.852 -6.267 -3.470 1.00 0.00 N ATOM 1492 CE2 TRP B 30 -14.116 -5.105 -4.148 1.00 0.00 C ATOM 1493 CE3 TRP B 30 -15.870 -4.210 -5.523 1.00 0.00 C ATOM 1494 CZ2 TRP B 30 -13.368 -3.950 -4.286 1.00 0.00 C ATOM 1495 CZ3 TRP B 30 -15.131 -3.068 -5.666 1.00 0.00 C ATOM 1496 CH2 TRP B 30 -13.897 -2.937 -5.052 1.00 0.00 C ATOM 0 H TRP B 30 -17.635 -5.599 -2.713 1.00 0.00 H new ATOM 0 HA TRP B 30 -19.124 -7.575 -4.182 1.00 0.00 H new ATOM 0 HB2 TRP B 30 -17.031 -7.917 -5.434 1.00 0.00 H new ATOM 0 HB3 TRP B 30 -17.662 -6.282 -5.460 1.00 0.00 H new ATOM 0 HD1 TRP B 30 -14.978 -8.124 -3.244 1.00 0.00 H new ATOM 0 HE1 TRP B 30 -13.010 -6.463 -2.929 1.00 0.00 H new ATOM 0 HE3 TRP B 30 -16.834 -4.303 -6.001 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -12.404 -3.847 -3.810 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -15.516 -2.257 -6.266 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -13.338 -2.021 -5.177 1.00 0.00 H new ATOM 1507 N ALA B 31 -16.877 -8.393 -1.901 1.00 0.00 N ATOM 1508 CA ALA B 31 -16.320 -9.433 -1.025 1.00 0.00 C ATOM 1509 C ALA B 31 -15.481 -10.474 -1.778 1.00 0.00 C ATOM 1510 O ALA B 31 -14.375 -10.821 -1.366 1.00 0.00 O ATOM 1511 CB ALA B 31 -17.446 -10.101 -0.254 1.00 0.00 C ATOM 0 H ALA B 31 -16.558 -7.454 -1.662 1.00 0.00 H new ATOM 0 HA ALA B 31 -15.635 -8.943 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -17.034 -10.873 0.396 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -17.965 -9.357 0.350 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -18.148 -10.553 -0.954 1.00 0.00 H new ATOM 1517 N ALA B 32 -16.009 -10.975 -2.876 1.00 0.00 N ATOM 1518 CA ALA B 32 -15.315 -11.978 -3.670 1.00 0.00 C ATOM 1519 C ALA B 32 -14.044 -11.415 -4.299 1.00 0.00 C ATOM 1520 O ALA B 32 -13.000 -12.070 -4.305 1.00 0.00 O ATOM 1521 CB ALA B 32 -16.239 -12.527 -4.747 1.00 0.00 C ATOM 0 H ALA B 32 -16.921 -10.705 -3.243 1.00 0.00 H new ATOM 0 HA ALA B 32 -15.023 -12.789 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -15.708 -13.276 -5.334 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -17.112 -12.983 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -16.560 -11.715 -5.400 1.00 0.00 H new ATOM 1527 N CYS B 33 -14.130 -10.193 -4.817 1.00 0.00 N ATOM 1528 CA CYS B 33 -12.983 -9.571 -5.461 1.00 0.00 C ATOM 1529 C CYS B 33 -11.859 -9.277 -4.482 1.00 0.00 C ATOM 1530 O CYS B 33 -10.714 -9.597 -4.748 1.00 0.00 O ATOM 1531 CB CYS B 33 -13.376 -8.289 -6.181 1.00 0.00 C ATOM 1532 SG CYS B 33 -12.772 -8.219 -7.904 1.00 0.00 S ATOM 0 H CYS B 33 -14.974 -9.621 -4.803 1.00 0.00 H new ATOM 0 HA CYS B 33 -12.618 -10.294 -6.191 1.00 0.00 H new ATOM 0 HB2 CYS B 33 -14.462 -8.197 -6.179 1.00 0.00 H new ATOM 0 HB3 CYS B 33 -12.983 -7.435 -5.630 1.00 0.00 H new ATOM 1537 N LEU B 34 -12.166 -8.667 -3.354 1.00 0.00 N ATOM 1538 CA LEU B 34 -11.117 -8.350 -2.400 1.00 0.00 C ATOM 1539 C LEU B 34 -10.283 -9.577 -2.077 1.00 0.00 C ATOM 1540 O LEU B 34 -9.071 -9.480 -1.889 1.00 0.00 O ATOM 1541 CB LEU B 34 -11.683 -7.707 -1.148 1.00 0.00 C ATOM 1542 CG LEU B 34 -13.060 -8.209 -0.741 1.00 0.00 C ATOM 1543 CD1 LEU B 34 -12.929 -9.272 0.337 1.00 0.00 C ATOM 1544 CD2 LEU B 34 -13.921 -7.054 -0.272 1.00 0.00 C ATOM 0 H LEU B 34 -13.107 -8.386 -3.078 1.00 0.00 H new ATOM 0 HA LEU B 34 -10.454 -7.619 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -10.991 -7.878 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -11.735 -6.629 -1.302 1.00 0.00 H new ATOM 0 HG LEU B 34 -13.547 -8.661 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -13.920 -9.625 0.622 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -12.342 -10.107 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -12.431 -8.847 1.208 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -14.904 -7.427 0.016 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -13.449 -6.573 0.585 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -14.030 -6.330 -1.080 1.00 0.00 H new ATOM 1556 N SER B 35 -10.927 -10.735 -2.010 1.00 0.00 N ATOM 1557 CA SER B 35 -10.201 -11.972 -1.770 1.00 0.00 C ATOM 1558 C SER B 35 -9.195 -12.169 -2.898 1.00 0.00 C ATOM 1559 O SER B 35 -8.091 -12.672 -2.698 1.00 0.00 O ATOM 1560 CB SER B 35 -11.168 -13.151 -1.731 1.00 0.00 C ATOM 1561 OG SER B 35 -10.490 -14.361 -1.442 1.00 0.00 O ATOM 0 H SER B 35 -11.936 -10.842 -2.117 1.00 0.00 H new ATOM 0 HA SER B 35 -9.685 -11.916 -0.811 1.00 0.00 H new ATOM 0 HB2 SER B 35 -11.934 -12.971 -0.977 1.00 0.00 H new ATOM 0 HB3 SER B 35 -11.679 -13.238 -2.690 1.00 0.00 H new ATOM 0 HG SER B 35 -11.134 -15.100 -1.422 1.00 0.00 H new ATOM 1567 N SER B 36 -9.620 -11.753 -4.088 1.00 0.00 N ATOM 1568 CA SER B 36 -8.814 -11.843 -5.311 1.00 0.00 C ATOM 1569 C SER B 36 -7.418 -11.215 -5.148 1.00 0.00 C ATOM 1570 O SER B 36 -6.429 -11.785 -5.608 1.00 0.00 O ATOM 1571 CB SER B 36 -9.558 -11.173 -6.472 1.00 0.00 C ATOM 1572 OG SER B 36 -9.212 -11.764 -7.713 1.00 0.00 O ATOM 0 H SER B 36 -10.541 -11.340 -4.236 1.00 0.00 H new ATOM 0 HA SER B 36 -8.665 -12.902 -5.524 1.00 0.00 H new ATOM 0 HB2 SER B 36 -10.633 -11.256 -6.314 1.00 0.00 H new ATOM 0 HB3 SER B 36 -9.320 -10.109 -6.494 1.00 0.00 H new ATOM 0 HG SER B 36 -9.702 -11.319 -8.435 1.00 0.00 H new ATOM 1578 N LEU B 37 -7.330 -10.038 -4.520 1.00 0.00 N ATOM 1579 CA LEU B 37 -6.022 -9.391 -4.317 1.00 0.00 C ATOM 1580 C LEU B 37 -5.205 -10.266 -3.410 1.00 0.00 C ATOM 1581 O LEU B 37 -4.104 -10.686 -3.753 1.00 0.00 O ATOM 1582 CB LEU B 37 -6.135 -7.988 -3.698 1.00 0.00 C ATOM 1583 CG LEU B 37 -4.882 -7.484 -2.971 1.00 0.00 C ATOM 1584 CD1 LEU B 37 -3.751 -7.238 -3.954 1.00 0.00 C ATOM 1585 CD2 LEU B 37 -5.183 -6.229 -2.177 1.00 0.00 C ATOM 0 H LEU B 37 -8.127 -9.520 -4.149 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.553 -9.268 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -6.384 -7.280 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.967 -7.986 -2.994 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.565 -8.258 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.873 -6.881 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.508 -8.167 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -4.059 -6.489 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.278 -5.893 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.534 -5.447 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -5.954 -6.443 -1.437 1.00 0.00 H new ATOM 1597 N SER B 38 -5.776 -10.548 -2.250 1.00 0.00 N ATOM 1598 CA SER B 38 -5.126 -11.397 -1.274 1.00 0.00 C ATOM 1599 C SER B 38 -4.979 -12.812 -1.825 1.00 0.00 C ATOM 1600 O SER B 38 -4.471 -13.705 -1.154 1.00 0.00 O ATOM 1601 CB SER B 38 -5.919 -11.407 0.036 1.00 0.00 C ATOM 1602 OG SER B 38 -6.353 -12.715 0.367 1.00 0.00 O ATOM 0 H SER B 38 -6.691 -10.199 -1.964 1.00 0.00 H new ATOM 0 HA SER B 38 -4.132 -11.000 -1.069 1.00 0.00 H new ATOM 0 HB2 SER B 38 -5.299 -11.013 0.841 1.00 0.00 H new ATOM 0 HB3 SER B 38 -6.782 -10.747 -0.054 1.00 0.00 H new ATOM 0 HG SER B 38 -6.855 -12.690 1.208 1.00 0.00 H new ATOM 1608 N ALA B 39 -5.435 -13.005 -3.060 1.00 0.00 N ATOM 1609 CA ALA B 39 -5.345 -14.299 -3.720 1.00 0.00 C ATOM 1610 C ALA B 39 -4.020 -14.418 -4.459 1.00 0.00 C ATOM 1611 O ALA B 39 -3.228 -15.312 -4.162 1.00 0.00 O ATOM 1612 CB ALA B 39 -6.512 -14.494 -4.676 1.00 0.00 C ATOM 0 H ALA B 39 -5.872 -12.276 -3.624 1.00 0.00 H new ATOM 0 HA ALA B 39 -5.393 -15.082 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -6.427 -15.467 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -7.449 -14.445 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -6.497 -13.710 -5.433 1.00 0.00 H new ATOM 1618 N SER B 40 -3.803 -13.497 -5.418 1.00 0.00 N ATOM 1619 CA SER B 40 -2.571 -13.426 -6.225 1.00 0.00 C ATOM 1620 C SER B 40 -2.864 -12.981 -7.652 1.00 0.00 C ATOM 1621 O SER B 40 -3.530 -13.687 -8.409 1.00 0.00 O ATOM 1622 CB SER B 40 -1.829 -14.767 -6.278 1.00 0.00 C ATOM 1623 OG SER B 40 -2.677 -15.802 -6.744 1.00 0.00 O ATOM 0 H SER B 40 -4.484 -12.776 -5.656 1.00 0.00 H new ATOM 0 HA SER B 40 -1.936 -12.691 -5.730 1.00 0.00 H new ATOM 0 HB2 SER B 40 -0.962 -14.681 -6.933 1.00 0.00 H new ATOM 0 HB3 SER B 40 -1.455 -15.018 -5.286 1.00 0.00 H new ATOM 0 HG SER B 40 -3.254 -15.456 -7.457 1.00 0.00 H new ATOM 1629 N SER B 41 -2.365 -11.802 -8.013 1.00 0.00 N ATOM 1630 CA SER B 41 -2.534 -11.285 -9.363 1.00 0.00 C ATOM 1631 C SER B 41 -1.167 -11.133 -9.998 1.00 0.00 C ATOM 1632 O SER B 41 -0.249 -10.592 -9.385 1.00 0.00 O ATOM 1633 CB SER B 41 -3.258 -9.935 -9.363 1.00 0.00 C ATOM 1634 OG SER B 41 -4.318 -9.926 -8.423 1.00 0.00 O ATOM 0 H SER B 41 -1.841 -11.189 -7.388 1.00 0.00 H new ATOM 0 HA SER B 41 -3.145 -11.986 -9.932 1.00 0.00 H new ATOM 0 HB2 SER B 41 -2.551 -9.140 -9.127 1.00 0.00 H new ATOM 0 HB3 SER B 41 -3.649 -9.728 -10.359 1.00 0.00 H new ATOM 0 HG SER B 41 -4.030 -9.461 -7.610 1.00 0.00 H new ATOM 1640 N ALA B 42 -1.038 -11.604 -11.226 1.00 0.00 N ATOM 1641 CA ALA B 42 0.231 -11.532 -11.947 1.00 0.00 C ATOM 1642 C ALA B 42 0.716 -10.093 -12.035 1.00 0.00 C ATOM 1643 O ALA B 42 1.843 -9.822 -12.451 1.00 0.00 O ATOM 1644 CB ALA B 42 0.079 -12.122 -13.338 1.00 0.00 C ATOM 0 H ALA B 42 -1.796 -12.042 -11.750 1.00 0.00 H new ATOM 0 HA ALA B 42 0.973 -12.112 -11.398 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.031 -12.062 -13.865 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -0.227 -13.165 -13.259 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -0.676 -11.563 -13.890 1.00 0.00 H new ATOM 1650 N ALA B 43 -0.151 -9.182 -11.628 1.00 0.00 N ATOM 1651 CA ALA B 43 0.137 -7.765 -11.674 1.00 0.00 C ATOM 1652 C ALA B 43 0.857 -7.257 -10.437 1.00 0.00 C ATOM 1653 O ALA B 43 1.970 -6.761 -10.544 1.00 0.00 O ATOM 1654 CB ALA B 43 -1.160 -6.999 -11.891 1.00 0.00 C ATOM 0 H ALA B 43 -1.074 -9.407 -11.257 1.00 0.00 H new ATOM 0 HA ALA B 43 0.820 -7.597 -12.507 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -0.950 -5.930 -11.927 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -1.614 -7.311 -12.832 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -1.847 -7.206 -11.070 1.00 0.00 H new ATOM 1660 N CYS B 44 0.239 -7.389 -9.269 1.00 0.00 N ATOM 1661 CA CYS B 44 0.841 -6.888 -8.035 1.00 0.00 C ATOM 1662 C CYS B 44 2.330 -7.199 -7.949 1.00 0.00 C ATOM 1663 O CYS B 44 3.108 -6.422 -7.390 1.00 0.00 O ATOM 1664 CB CYS B 44 0.101 -7.418 -6.811 1.00 0.00 C ATOM 1665 SG CYS B 44 -1.032 -8.806 -7.140 1.00 0.00 S ATOM 0 H CYS B 44 -0.671 -7.834 -9.148 1.00 0.00 H new ATOM 0 HA CYS B 44 0.744 -5.803 -8.053 1.00 0.00 H new ATOM 0 HB2 CYS B 44 0.835 -7.735 -6.070 1.00 0.00 H new ATOM 0 HB3 CYS B 44 -0.468 -6.601 -6.367 1.00 0.00 H new ATOM 1670 N ILE B 45 2.725 -8.326 -8.501 1.00 0.00 N ATOM 1671 CA ILE B 45 4.122 -8.719 -8.493 1.00 0.00 C ATOM 1672 C ILE B 45 4.874 -8.057 -9.645 1.00 0.00 C ATOM 1673 O ILE B 45 5.964 -7.464 -9.470 1.00 0.00 O ATOM 1674 CB ILE B 45 4.288 -10.246 -8.549 1.00 0.00 C ATOM 1675 CG1 ILE B 45 2.995 -10.940 -8.115 1.00 0.00 C ATOM 1676 CG2 ILE B 45 5.442 -10.680 -7.657 1.00 0.00 C ATOM 1677 CD1 ILE B 45 2.341 -11.745 -9.217 1.00 0.00 C ATOM 0 H ILE B 45 2.100 -8.988 -8.962 1.00 0.00 H new ATOM 0 HA ILE B 45 4.550 -8.377 -7.551 1.00 0.00 H new ATOM 0 HB ILE B 45 4.509 -10.535 -9.577 1.00 0.00 H new ATOM 0 HG12 ILE B 45 3.211 -11.599 -7.274 1.00 0.00 H new ATOM 0 HG13 ILE B 45 2.291 -10.188 -7.759 1.00 0.00 H new ATOM 0 HG21 ILE B 45 5.551 -11.764 -7.704 1.00 0.00 H new ATOM 0 HG22 ILE B 45 6.363 -10.208 -7.998 1.00 0.00 H new ATOM 0 HG23 ILE B 45 5.240 -10.380 -6.629 1.00 0.00 H new ATOM 0 HD11 ILE B 45 1.430 -12.209 -8.838 1.00 0.00 H new ATOM 0 HD12 ILE B 45 2.093 -11.087 -10.050 1.00 0.00 H new ATOM 0 HD13 ILE B 45 3.028 -12.520 -9.558 1.00 0.00 H new ATOM 1689 N ALA B 46 4.270 -8.113 -10.828 1.00 0.00 N ATOM 1690 CA ALA B 46 4.892 -7.491 -11.992 1.00 0.00 C ATOM 1691 C ALA B 46 5.061 -6.025 -11.656 1.00 0.00 C ATOM 1692 O ALA B 46 5.885 -5.286 -12.211 1.00 0.00 O ATOM 1693 CB ALA B 46 4.038 -7.683 -13.236 1.00 0.00 C ATOM 0 H ALA B 46 3.375 -8.569 -11.005 1.00 0.00 H new ATOM 0 HA ALA B 46 5.856 -7.949 -12.214 1.00 0.00 H new ATOM 0 HB1 ALA B 46 4.525 -7.210 -14.088 1.00 0.00 H new ATOM 0 HB2 ALA B 46 3.916 -8.748 -13.433 1.00 0.00 H new ATOM 0 HB3 ALA B 46 3.060 -7.229 -13.079 1.00 0.00 H new ATOM 1699 N ALA B 47 4.261 -5.648 -10.683 1.00 0.00 N ATOM 1700 CA ALA B 47 4.227 -4.317 -10.156 1.00 0.00 C ATOM 1701 C ALA B 47 5.499 -4.036 -9.391 1.00 0.00 C ATOM 1702 O ALA B 47 6.113 -2.984 -9.558 1.00 0.00 O ATOM 1703 CB ALA B 47 3.033 -4.197 -9.239 1.00 0.00 C ATOM 0 H ALA B 47 3.602 -6.281 -10.230 1.00 0.00 H new ATOM 0 HA ALA B 47 4.145 -3.594 -10.968 1.00 0.00 H new ATOM 0 HB1 ALA B 47 2.990 -3.189 -8.827 1.00 0.00 H new ATOM 0 HB2 ALA B 47 2.121 -4.398 -9.801 1.00 0.00 H new ATOM 0 HB3 ALA B 47 3.125 -4.917 -8.426 1.00 0.00 H new ATOM 1709 N VAL B 48 5.903 -5.004 -8.572 1.00 0.00 N ATOM 1710 CA VAL B 48 7.107 -4.870 -7.765 1.00 0.00 C ATOM 1711 C VAL B 48 8.195 -4.212 -8.569 1.00 0.00 C ATOM 1712 O VAL B 48 8.962 -3.394 -8.062 1.00 0.00 O ATOM 1713 CB VAL B 48 7.623 -6.249 -7.300 1.00 0.00 C ATOM 1714 CG1 VAL B 48 8.891 -6.113 -6.478 1.00 0.00 C ATOM 1715 CG2 VAL B 48 6.563 -6.992 -6.518 1.00 0.00 C ATOM 0 H VAL B 48 5.412 -5.890 -8.452 1.00 0.00 H new ATOM 0 HA VAL B 48 6.853 -4.265 -6.895 1.00 0.00 H new ATOM 0 HB VAL B 48 7.858 -6.828 -8.193 1.00 0.00 H new ATOM 0 HG11 VAL B 48 9.230 -7.101 -6.165 1.00 0.00 H new ATOM 0 HG12 VAL B 48 9.666 -5.638 -7.080 1.00 0.00 H new ATOM 0 HG13 VAL B 48 8.690 -5.503 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL B 48 6.954 -7.960 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL B 48 6.284 -6.410 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL B 48 5.686 -7.143 -7.147 1.00 0.00 H new ATOM 1725 N GLY B 49 8.252 -4.582 -9.823 1.00 0.00 N ATOM 1726 CA GLY B 49 9.267 -4.022 -10.699 1.00 0.00 C ATOM 1727 C GLY B 49 8.900 -2.716 -11.406 1.00 0.00 C ATOM 1728 O GLY B 49 9.786 -1.959 -11.792 1.00 0.00 O ATOM 0 H GLY B 49 7.623 -5.255 -10.261 1.00 0.00 H new ATOM 0 HA2 GLY B 49 10.170 -3.853 -10.113 1.00 0.00 H new ATOM 0 HA3 GLY B 49 9.514 -4.765 -11.457 1.00 0.00 H new ATOM 1732 N GLU B 50 7.613 -2.422 -11.552 1.00 0.00 N ATOM 1733 CA GLU B 50 7.192 -1.266 -12.356 1.00 0.00 C ATOM 1734 C GLU B 50 6.784 0.052 -11.665 1.00 0.00 C ATOM 1735 O GLU B 50 5.956 0.765 -12.218 1.00 0.00 O ATOM 1736 CB GLU B 50 6.167 -1.728 -13.362 1.00 0.00 C ATOM 1737 CG GLU B 50 6.798 -2.697 -14.321 1.00 0.00 C ATOM 1738 CD GLU B 50 6.964 -2.126 -15.716 1.00 0.00 C ATOM 1739 OE1 GLU B 50 5.984 -2.158 -16.491 1.00 0.00 O ATOM 1740 OE2 GLU B 50 8.073 -1.647 -16.034 1.00 0.00 O ATOM 0 H GLU B 50 6.849 -2.954 -11.134 1.00 0.00 H new ATOM 0 HA GLU B 50 8.120 -0.929 -12.819 1.00 0.00 H new ATOM 0 HB2 GLU B 50 5.329 -2.202 -12.850 1.00 0.00 H new ATOM 0 HB3 GLU B 50 5.766 -0.873 -13.906 1.00 0.00 H new ATOM 0 HG2 GLU B 50 7.774 -2.996 -13.938 1.00 0.00 H new ATOM 0 HG3 GLU B 50 6.187 -3.598 -14.373 1.00 0.00 H new ATOM 1747 N LEU B 51 7.230 0.315 -10.436 1.00 0.00 N ATOM 1748 CA LEU B 51 6.979 1.625 -9.773 1.00 0.00 C ATOM 1749 C LEU B 51 5.940 1.538 -8.698 1.00 0.00 C ATOM 1750 O LEU B 51 4.722 1.433 -8.960 1.00 0.00 O ATOM 1751 CB LEU B 51 6.626 2.750 -10.734 1.00 0.00 C ATOM 1752 CG LEU B 51 6.778 4.153 -10.145 1.00 0.00 C ATOM 1753 CD1 LEU B 51 8.244 4.513 -9.942 1.00 0.00 C ATOM 1754 CD2 LEU B 51 6.075 5.191 -11.010 1.00 0.00 C ATOM 0 H LEU B 51 7.764 -0.346 -9.872 1.00 0.00 H new ATOM 0 HA LEU B 51 7.938 1.876 -9.319 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.259 2.669 -11.618 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.596 2.618 -11.067 1.00 0.00 H new ATOM 0 HG LEU B 51 6.299 4.153 -9.166 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.318 5.516 -9.522 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.703 3.799 -9.258 1.00 0.00 H new ATOM 0 HD13 LEU B 51 8.762 4.482 -10.900 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.200 6.179 -10.567 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.508 5.185 -12.010 1.00 0.00 H new ATOM 0 HD23 LEU B 51 5.013 4.953 -11.073 1.00 0.00 H new ATOM 1766 N GLY B 52 6.471 1.616 -7.479 1.00 0.00 N ATOM 1767 CA GLY B 52 5.702 1.498 -6.277 1.00 0.00 C ATOM 1768 C GLY B 52 4.785 0.343 -6.381 1.00 0.00 C ATOM 1769 O GLY B 52 3.860 0.180 -5.589 1.00 0.00 O ATOM 0 H GLY B 52 7.466 1.766 -7.314 1.00 0.00 H new ATOM 0 HA2 GLY B 52 6.365 1.372 -5.421 1.00 0.00 H new ATOM 0 HA3 GLY B 52 5.133 2.412 -6.107 1.00 0.00 H new ATOM 1773 N LEU B 53 5.098 -0.460 -7.385 1.00 0.00 N ATOM 1774 CA LEU B 53 4.369 -1.635 -7.736 1.00 0.00 C ATOM 1775 C LEU B 53 3.361 -1.256 -8.802 1.00 0.00 C ATOM 1776 O LEU B 53 2.165 -1.500 -8.642 1.00 0.00 O ATOM 1777 CB LEU B 53 3.695 -2.312 -6.534 1.00 0.00 C ATOM 1778 CG LEU B 53 4.607 -2.696 -5.344 1.00 0.00 C ATOM 1779 CD1 LEU B 53 4.401 -4.144 -4.953 1.00 0.00 C ATOM 1780 CD2 LEU B 53 6.076 -2.436 -5.657 1.00 0.00 C ATOM 0 H LEU B 53 5.900 -0.291 -7.992 1.00 0.00 H new ATOM 0 HA LEU B 53 5.067 -2.380 -8.119 1.00 0.00 H new ATOM 0 HB2 LEU B 53 2.916 -1.646 -6.163 1.00 0.00 H new ATOM 0 HB3 LEU B 53 3.200 -3.216 -6.888 1.00 0.00 H new ATOM 0 HG LEU B 53 4.327 -2.063 -4.502 1.00 0.00 H new ATOM 0 HD11 LEU B 53 5.053 -4.391 -4.115 1.00 0.00 H new ATOM 0 HD12 LEU B 53 3.362 -4.298 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU B 53 4.640 -4.787 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU B 53 6.686 -2.717 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.374 -3.027 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU B 53 6.220 -1.377 -5.873 1.00 0.00 H new ATOM 1792 N ASP B 54 3.868 -0.647 -9.899 1.00 0.00 N ATOM 1793 CA ASP B 54 3.022 -0.211 -11.006 1.00 0.00 C ATOM 1794 C ASP B 54 1.585 -0.228 -10.586 1.00 0.00 C ATOM 1795 O ASP B 54 0.975 -1.290 -10.560 1.00 0.00 O ATOM 1796 CB ASP B 54 3.181 -1.133 -12.200 1.00 0.00 C ATOM 1797 CG ASP B 54 3.039 -0.410 -13.526 1.00 0.00 C ATOM 1798 OD1 ASP B 54 3.897 0.443 -13.833 1.00 0.00 O ATOM 1799 OD2 ASP B 54 2.067 -0.697 -14.257 1.00 0.00 O ATOM 0 H ASP B 54 4.861 -0.452 -10.030 1.00 0.00 H new ATOM 0 HA ASP B 54 3.325 0.799 -11.283 1.00 0.00 H new ATOM 0 HB2 ASP B 54 4.159 -1.612 -12.156 1.00 0.00 H new ATOM 0 HB3 ASP B 54 2.435 -1.926 -12.142 1.00 0.00 H new ATOM 1804 N VAL B 55 1.043 0.915 -10.230 1.00 0.00 N ATOM 1805 CA VAL B 55 -0.357 0.938 -9.803 1.00 0.00 C ATOM 1806 C VAL B 55 -1.233 0.069 -10.695 1.00 0.00 C ATOM 1807 O VAL B 55 -2.021 -0.715 -10.169 1.00 0.00 O ATOM 1808 CB VAL B 55 -0.972 2.353 -9.697 1.00 0.00 C ATOM 1809 CG1 VAL B 55 -1.849 2.702 -10.900 1.00 0.00 C ATOM 1810 CG2 VAL B 55 -1.780 2.451 -8.413 1.00 0.00 C ATOM 0 H VAL B 55 1.521 1.816 -10.223 1.00 0.00 H new ATOM 0 HA VAL B 55 -0.336 0.528 -8.793 1.00 0.00 H new ATOM 0 HB VAL B 55 -0.154 3.073 -9.685 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -2.256 3.706 -10.775 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -1.250 2.664 -11.810 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -2.667 1.986 -10.974 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -2.216 3.447 -8.333 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -2.576 1.706 -8.426 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -1.128 2.270 -7.558 1.00 0.00 H new ATOM 1820 N PRO B 56 -1.094 0.156 -12.051 1.00 0.00 N ATOM 1821 CA PRO B 56 -1.916 -0.643 -12.958 1.00 0.00 C ATOM 1822 C PRO B 56 -1.769 -2.113 -12.645 1.00 0.00 C ATOM 1823 O PRO B 56 -2.578 -2.942 -13.063 1.00 0.00 O ATOM 1824 CB PRO B 56 -1.359 -0.327 -14.351 1.00 0.00 C ATOM 1825 CG PRO B 56 -0.663 0.978 -14.196 1.00 0.00 C ATOM 1826 CD PRO B 56 -0.114 0.979 -12.800 1.00 0.00 C ATOM 0 HA PRO B 56 -2.978 -0.414 -12.874 1.00 0.00 H new ATOM 0 HB2 PRO B 56 -0.672 -1.104 -14.688 1.00 0.00 H new ATOM 0 HB3 PRO B 56 -2.157 -0.264 -15.091 1.00 0.00 H new ATOM 0 HG2 PRO B 56 0.135 1.087 -14.931 1.00 0.00 H new ATOM 0 HG3 PRO B 56 -1.351 1.810 -14.347 1.00 0.00 H new ATOM 0 HD2 PRO B 56 0.887 0.549 -12.760 1.00 0.00 H new ATOM 0 HD3 PRO B 56 -0.043 1.989 -12.396 1.00 0.00 H new ATOM 1834 N LEU B 57 -0.681 -2.437 -11.965 1.00 0.00 N ATOM 1835 CA LEU B 57 -0.426 -3.795 -11.563 1.00 0.00 C ATOM 1836 C LEU B 57 -0.842 -4.082 -10.115 1.00 0.00 C ATOM 1837 O LEU B 57 -1.790 -4.819 -9.883 1.00 0.00 O ATOM 1838 CB LEU B 57 1.037 -4.155 -11.780 1.00 0.00 C ATOM 1839 CG LEU B 57 1.560 -3.963 -13.209 1.00 0.00 C ATOM 1840 CD1 LEU B 57 3.016 -4.377 -13.308 1.00 0.00 C ATOM 1841 CD2 LEU B 57 0.721 -4.753 -14.204 1.00 0.00 C ATOM 0 H LEU B 57 0.037 -1.770 -11.683 1.00 0.00 H new ATOM 0 HA LEU B 57 -1.048 -4.426 -12.197 1.00 0.00 H new ATOM 0 HB2 LEU B 57 1.645 -3.552 -11.105 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.183 -5.197 -11.496 1.00 0.00 H new ATOM 0 HG LEU B 57 1.482 -2.904 -13.455 1.00 0.00 H new ATOM 0 HD11 LEU B 57 3.367 -4.233 -14.330 1.00 0.00 H new ATOM 0 HD12 LEU B 57 3.614 -3.769 -12.630 1.00 0.00 H new ATOM 0 HD13 LEU B 57 3.115 -5.428 -13.036 1.00 0.00 H new ATOM 0 HD21 LEU B 57 1.111 -4.601 -15.210 1.00 0.00 H new ATOM 0 HD22 LEU B 57 0.763 -5.813 -13.955 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -0.313 -4.411 -14.160 1.00 0.00 H new ATOM 1853 N ASP B 58 -0.126 -3.486 -9.147 1.00 0.00 N ATOM 1854 CA ASP B 58 -0.373 -3.737 -7.718 1.00 0.00 C ATOM 1855 C ASP B 58 -1.645 -3.152 -7.153 1.00 0.00 C ATOM 1856 O ASP B 58 -2.483 -3.891 -6.658 1.00 0.00 O ATOM 1857 CB ASP B 58 0.779 -3.226 -6.888 1.00 0.00 C ATOM 1858 CG ASP B 58 0.559 -3.432 -5.402 1.00 0.00 C ATOM 1859 OD1 ASP B 58 -0.054 -4.454 -5.030 1.00 0.00 O ATOM 1860 OD2 ASP B 58 0.998 -2.570 -4.613 1.00 0.00 O ATOM 0 H ASP B 58 0.630 -2.826 -9.329 1.00 0.00 H new ATOM 0 HA ASP B 58 -0.480 -4.820 -7.662 1.00 0.00 H new ATOM 0 HB2 ASP B 58 1.694 -3.734 -7.191 1.00 0.00 H new ATOM 0 HB3 ASP B 58 0.923 -2.164 -7.087 1.00 0.00 H new ATOM 1865 N LEU B 59 -1.790 -1.839 -7.176 1.00 0.00 N ATOM 1866 CA LEU B 59 -2.979 -1.248 -6.603 1.00 0.00 C ATOM 1867 C LEU B 59 -4.141 -1.546 -7.479 1.00 0.00 C ATOM 1868 O LEU B 59 -5.273 -1.292 -7.127 1.00 0.00 O ATOM 1869 CB LEU B 59 -2.831 0.226 -6.303 1.00 0.00 C ATOM 1870 CG LEU B 59 -2.649 0.516 -4.815 1.00 0.00 C ATOM 1871 CD1 LEU B 59 -3.967 0.418 -4.096 1.00 0.00 C ATOM 1872 CD2 LEU B 59 -1.651 -0.449 -4.178 1.00 0.00 C ATOM 0 H LEU B 59 -1.120 -1.181 -7.573 1.00 0.00 H new ATOM 0 HA LEU B 59 -3.150 -1.702 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.975 0.619 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -3.712 0.755 -6.666 1.00 0.00 H new ATOM 0 HG LEU B 59 -2.258 1.530 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -3.820 0.627 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -4.665 1.142 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -4.372 -0.587 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -1.544 -0.215 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -2.012 -1.472 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -0.684 -0.350 -4.671 1.00 0.00 H new ATOM 1884 N ALA B 60 -3.816 -1.994 -8.666 1.00 0.00 N ATOM 1885 CA ALA B 60 -4.808 -2.415 -9.620 1.00 0.00 C ATOM 1886 C ALA B 60 -5.118 -3.870 -9.324 1.00 0.00 C ATOM 1887 O ALA B 60 -6.217 -4.346 -9.566 1.00 0.00 O ATOM 1888 CB ALA B 60 -4.300 -2.233 -11.024 1.00 0.00 C ATOM 0 H ALA B 60 -2.855 -2.077 -8.997 1.00 0.00 H new ATOM 0 HA ALA B 60 -5.714 -1.814 -9.537 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -5.063 -2.556 -11.732 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -4.070 -1.181 -11.194 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -3.398 -2.829 -11.165 1.00 0.00 H new ATOM 1894 N CYS B 61 -4.101 -4.572 -8.812 1.00 0.00 N ATOM 1895 CA CYS B 61 -4.246 -5.955 -8.376 1.00 0.00 C ATOM 1896 C CYS B 61 -5.089 -5.893 -7.115 1.00 0.00 C ATOM 1897 O CYS B 61 -5.967 -6.721 -6.842 1.00 0.00 O ATOM 1898 CB CYS B 61 -2.867 -6.560 -8.062 1.00 0.00 C ATOM 1899 SG CYS B 61 -2.886 -7.981 -6.922 1.00 0.00 S ATOM 0 H CYS B 61 -3.161 -4.195 -8.691 1.00 0.00 H new ATOM 0 HA CYS B 61 -4.706 -6.577 -9.144 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -2.403 -6.871 -8.998 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -2.235 -5.781 -7.636 1.00 0.00 H new ATOM 1904 N ALA B 62 -4.823 -4.829 -6.381 1.00 0.00 N ATOM 1905 CA ALA B 62 -5.496 -4.542 -5.143 1.00 0.00 C ATOM 1906 C ALA B 62 -6.860 -3.918 -5.413 1.00 0.00 C ATOM 1907 O ALA B 62 -7.855 -4.293 -4.789 1.00 0.00 O ATOM 1908 CB ALA B 62 -4.618 -3.635 -4.301 1.00 0.00 C ATOM 0 H ALA B 62 -4.122 -4.134 -6.638 1.00 0.00 H new ATOM 0 HA ALA B 62 -5.669 -5.465 -4.591 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -5.121 -3.413 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -3.670 -4.133 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -4.431 -2.707 -4.841 1.00 0.00 H new ATOM 1914 N ALA B 63 -6.894 -2.967 -6.355 1.00 0.00 N ATOM 1915 CA ALA B 63 -8.136 -2.309 -6.742 1.00 0.00 C ATOM 1916 C ALA B 63 -9.031 -3.329 -7.380 1.00 0.00 C ATOM 1917 O ALA B 63 -10.248 -3.299 -7.223 1.00 0.00 O ATOM 1918 CB ALA B 63 -7.892 -1.167 -7.711 1.00 0.00 C ATOM 0 H ALA B 63 -6.071 -2.640 -6.861 1.00 0.00 H new ATOM 0 HA ALA B 63 -8.600 -1.886 -5.851 1.00 0.00 H new ATOM 0 HB1 ALA B 63 -8.843 -0.704 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA B 63 -7.244 -0.425 -7.244 1.00 0.00 H new ATOM 0 HB3 ALA B 63 -7.414 -1.550 -8.612 1.00 0.00 H new ATOM 1924 N THR B 64 -8.408 -4.256 -8.092 1.00 0.00 N ATOM 1925 CA THR B 64 -9.157 -5.321 -8.726 1.00 0.00 C ATOM 1926 C THR B 64 -9.595 -6.286 -7.646 1.00 0.00 C ATOM 1927 O THR B 64 -10.023 -7.405 -7.929 1.00 0.00 O ATOM 1928 CB THR B 64 -8.384 -6.079 -9.846 1.00 0.00 C ATOM 1929 OG1 THR B 64 -9.314 -6.789 -10.672 1.00 0.00 O ATOM 1930 CG2 THR B 64 -7.358 -7.068 -9.293 1.00 0.00 C ATOM 0 H THR B 64 -7.400 -4.290 -8.242 1.00 0.00 H new ATOM 0 HA THR B 64 -10.007 -4.864 -9.234 1.00 0.00 H new ATOM 0 HB THR B 64 -7.842 -5.329 -10.422 1.00 0.00 H new ATOM 0 HG1 THR B 64 -9.917 -7.316 -10.107 1.00 0.00 H new ATOM 0 HG21 THR B 64 -6.851 -7.566 -10.119 1.00 0.00 H new ATOM 0 HG22 THR B 64 -6.626 -6.533 -8.688 1.00 0.00 H new ATOM 0 HG23 THR B 64 -7.864 -7.811 -8.677 1.00 0.00 H new ATOM 1938 N ALA B 65 -9.476 -5.838 -6.387 1.00 0.00 N ATOM 1939 CA ALA B 65 -9.843 -6.673 -5.269 1.00 0.00 C ATOM 1940 C ALA B 65 -10.020 -5.925 -3.934 1.00 0.00 C ATOM 1941 O ALA B 65 -11.042 -5.297 -3.705 1.00 0.00 O ATOM 1942 CB ALA B 65 -8.811 -7.755 -5.130 1.00 0.00 C ATOM 0 H ALA B 65 -9.131 -4.912 -6.135 1.00 0.00 H new ATOM 0 HA ALA B 65 -10.829 -7.083 -5.489 1.00 0.00 H new ATOM 0 HB1 ALA B 65 -9.070 -8.399 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA B 65 -8.780 -8.347 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA B 65 -7.834 -7.305 -4.955 1.00 0.00 H new ATOM 1948 N THR B 66 -9.018 -6.014 -3.050 1.00 0.00 N ATOM 1949 CA THR B 66 -9.112 -5.434 -1.699 1.00 0.00 C ATOM 1950 C THR B 66 -8.845 -3.939 -1.630 1.00 0.00 C ATOM 1951 O THR B 66 -9.603 -3.234 -0.968 1.00 0.00 O ATOM 1952 CB THR B 66 -8.184 -6.166 -0.711 1.00 0.00 C ATOM 1953 OG1 THR B 66 -7.741 -7.401 -1.275 1.00 0.00 O ATOM 1954 CG2 THR B 66 -8.894 -6.454 0.599 1.00 0.00 C ATOM 0 H THR B 66 -8.132 -6.481 -3.243 1.00 0.00 H new ATOM 0 HA THR B 66 -10.154 -5.576 -1.414 1.00 0.00 H new ATOM 0 HB THR B 66 -7.331 -5.516 -0.517 1.00 0.00 H new ATOM 0 HG1 THR B 66 -8.479 -8.046 -1.271 1.00 0.00 H new ATOM 0 HG21 THR B 66 -8.214 -6.971 1.276 1.00 0.00 H new ATOM 0 HG22 THR B 66 -9.214 -5.516 1.053 1.00 0.00 H new ATOM 0 HG23 THR B 66 -9.765 -7.082 0.410 1.00 0.00 H new ATOM 1962 N SER B 67 -7.788 -3.427 -2.267 1.00 0.00 N ATOM 1963 CA SER B 67 -7.574 -1.974 -2.210 1.00 0.00 C ATOM 1964 C SER B 67 -8.906 -1.369 -2.540 1.00 0.00 C ATOM 1965 O SER B 67 -9.272 -0.279 -2.095 1.00 0.00 O ATOM 1966 CB SER B 67 -6.511 -1.473 -3.170 1.00 0.00 C ATOM 1967 OG SER B 67 -6.549 -0.063 -3.244 1.00 0.00 O ATOM 0 H SER B 67 -7.101 -3.959 -2.801 1.00 0.00 H new ATOM 0 HA SER B 67 -7.205 -1.692 -1.224 1.00 0.00 H new ATOM 0 HB2 SER B 67 -5.526 -1.801 -2.838 1.00 0.00 H new ATOM 0 HB3 SER B 67 -6.672 -1.901 -4.159 1.00 0.00 H new ATOM 0 HG SER B 67 -6.445 0.219 -4.177 1.00 0.00 H new ATOM 1973 N SER B 68 -9.601 -2.131 -3.369 1.00 0.00 N ATOM 1974 CA SER B 68 -10.947 -1.888 -3.741 1.00 0.00 C ATOM 1975 C SER B 68 -11.161 -0.828 -4.781 1.00 0.00 C ATOM 1976 O SER B 68 -11.002 0.365 -4.545 1.00 0.00 O ATOM 1977 CB SER B 68 -11.792 -1.613 -2.518 1.00 0.00 C ATOM 1978 OG SER B 68 -13.087 -1.181 -2.889 1.00 0.00 O ATOM 0 H SER B 68 -9.209 -2.964 -3.808 1.00 0.00 H new ATOM 0 HA SER B 68 -11.266 -2.810 -4.227 1.00 0.00 H new ATOM 0 HB2 SER B 68 -11.865 -2.515 -1.910 1.00 0.00 H new ATOM 0 HB3 SER B 68 -11.312 -0.852 -1.903 1.00 0.00 H new ATOM 0 HG SER B 68 -13.500 -1.850 -3.475 1.00 0.00 H new ATOM 1984 N ALA B 69 -11.536 -1.327 -5.937 1.00 0.00 N ATOM 1985 CA ALA B 69 -11.889 -0.515 -7.087 1.00 0.00 C ATOM 1986 C ALA B 69 -11.934 -1.387 -8.325 1.00 0.00 C ATOM 1987 O ALA B 69 -11.432 -1.021 -9.388 1.00 0.00 O ATOM 1988 CB ALA B 69 -10.931 0.646 -7.279 1.00 0.00 C ATOM 0 H ALA B 69 -11.607 -2.330 -6.111 1.00 0.00 H new ATOM 0 HA ALA B 69 -12.874 -0.084 -6.910 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -11.233 1.227 -8.151 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -10.949 1.283 -6.395 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -9.921 0.264 -7.430 1.00 0.00 H new ATOM 1994 N THR B 70 -12.547 -2.549 -8.163 1.00 0.00 N ATOM 1995 CA THR B 70 -12.660 -3.515 -9.240 1.00 0.00 C ATOM 1996 C THR B 70 -13.973 -3.348 -9.985 1.00 0.00 C ATOM 1997 O THR B 70 -15.023 -3.817 -9.545 1.00 0.00 O ATOM 1998 CB THR B 70 -12.538 -4.963 -8.721 1.00 0.00 C ATOM 1999 OG1 THR B 70 -13.479 -5.810 -9.385 1.00 0.00 O ATOM 2000 CG2 THR B 70 -12.753 -5.028 -7.217 1.00 0.00 C ATOM 0 H THR B 70 -12.977 -2.846 -7.287 1.00 0.00 H new ATOM 0 HA THR B 70 -11.835 -3.325 -9.926 1.00 0.00 H new ATOM 0 HB THR B 70 -11.528 -5.311 -8.937 1.00 0.00 H new ATOM 0 HG1 THR B 70 -13.376 -6.730 -9.063 1.00 0.00 H new ATOM 0 HG21 THR B 70 -12.661 -6.061 -6.881 1.00 0.00 H new ATOM 0 HG22 THR B 70 -12.004 -4.415 -6.716 1.00 0.00 H new ATOM 0 HG23 THR B 70 -13.748 -4.655 -6.975 1.00 0.00 H new ATOM 2008 N GLU B 71 -13.896 -2.670 -11.119 1.00 0.00 N ATOM 2009 CA GLU B 71 -15.058 -2.427 -11.956 1.00 0.00 C ATOM 2010 C GLU B 71 -15.605 -3.738 -12.507 1.00 0.00 C ATOM 2011 O GLU B 71 -16.637 -3.768 -13.178 1.00 0.00 O ATOM 2012 CB GLU B 71 -14.665 -1.450 -13.073 1.00 0.00 C ATOM 2013 CG GLU B 71 -15.673 -1.333 -14.210 1.00 0.00 C ATOM 2014 CD GLU B 71 -15.409 -2.320 -15.331 1.00 0.00 C ATOM 2015 OE1 GLU B 71 -14.278 -2.323 -15.863 1.00 0.00 O ATOM 2016 OE2 GLU B 71 -16.332 -3.085 -15.680 1.00 0.00 O ATOM 0 H GLU B 71 -13.029 -2.274 -11.483 1.00 0.00 H new ATOM 0 HA GLU B 71 -15.858 -1.978 -11.367 1.00 0.00 H new ATOM 0 HB2 GLU B 71 -14.517 -0.463 -12.636 1.00 0.00 H new ATOM 0 HB3 GLU B 71 -13.707 -1.762 -13.488 1.00 0.00 H new ATOM 0 HG2 GLU B 71 -16.677 -1.495 -13.818 1.00 0.00 H new ATOM 0 HG3 GLU B 71 -15.647 -0.319 -14.610 1.00 0.00 H new ATOM 2023 N ALA B 72 -14.924 -4.831 -12.186 1.00 0.00 N ATOM 2024 CA ALA B 72 -15.336 -6.140 -12.656 1.00 0.00 C ATOM 2025 C ALA B 72 -16.176 -6.891 -11.619 1.00 0.00 C ATOM 2026 O ALA B 72 -17.043 -7.686 -11.983 1.00 0.00 O ATOM 2027 CB ALA B 72 -14.122 -6.964 -13.053 1.00 0.00 C ATOM 0 H ALA B 72 -14.087 -4.833 -11.604 1.00 0.00 H new ATOM 0 HA ALA B 72 -15.968 -5.986 -13.531 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -14.446 -7.944 -13.404 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -13.581 -6.454 -13.850 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -13.467 -7.086 -12.190 1.00 0.00 H new ATOM 2033 N CYS B 73 -15.926 -6.644 -10.332 1.00 0.00 N ATOM 2034 CA CYS B 73 -16.679 -7.324 -9.275 1.00 0.00 C ATOM 2035 C CYS B 73 -17.497 -6.341 -8.481 1.00 0.00 C ATOM 2036 O CYS B 73 -18.191 -6.724 -7.541 1.00 0.00 O ATOM 2037 CB CYS B 73 -15.753 -8.024 -8.282 1.00 0.00 C ATOM 2038 SG CYS B 73 -14.330 -8.876 -9.024 1.00 0.00 S ATOM 0 H CYS B 73 -15.219 -5.988 -9.999 1.00 0.00 H new ATOM 0 HA CYS B 73 -17.316 -8.051 -9.779 1.00 0.00 H new ATOM 0 HB2 CYS B 73 -15.384 -7.285 -7.570 1.00 0.00 H new ATOM 0 HB3 CYS B 73 -16.336 -8.750 -7.715 1.00 0.00 H new ATOM 2043 N LYS B 74 -17.432 -5.080 -8.854 1.00 0.00 N ATOM 2044 CA LYS B 74 -18.117 -4.072 -8.089 1.00 0.00 C ATOM 2045 C LYS B 74 -19.625 -4.165 -8.128 1.00 0.00 C ATOM 2046 O LYS B 74 -20.208 -5.246 -8.040 1.00 0.00 O ATOM 2047 CB LYS B 74 -17.677 -2.672 -8.455 1.00 0.00 C ATOM 2048 CG LYS B 74 -17.771 -1.741 -7.263 1.00 0.00 C ATOM 2049 CD LYS B 74 -18.589 -0.523 -7.563 1.00 0.00 C ATOM 2050 CE LYS B 74 -19.895 -0.435 -6.841 1.00 0.00 C ATOM 2051 NZ LYS B 74 -20.097 0.900 -6.214 1.00 0.00 N ATOM 0 H LYS B 74 -16.921 -4.737 -9.667 1.00 0.00 H new ATOM 0 HA LYS B 74 -17.820 -4.282 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -16.651 -2.694 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -18.298 -2.293 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -18.211 -2.275 -6.421 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -16.769 -1.438 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -17.998 0.360 -7.319 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -18.783 -0.491 -8.635 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -20.709 -0.635 -7.538 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -19.937 -1.207 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -20.850 0.837 -5.499 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -19.213 1.208 -5.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -20.369 1.589 -6.944 1.00 0.00 H new ATOM 2065 N GLY B 75 -20.251 -3.007 -8.263 1.00 0.00 N ATOM 2066 CA GLY B 75 -21.673 -2.935 -8.193 1.00 0.00 C ATOM 2067 C GLY B 75 -22.021 -2.994 -6.733 1.00 0.00 C ATOM 2068 O GLY B 75 -23.174 -3.187 -6.349 1.00 0.00 O ATOM 0 H GLY B 75 -19.784 -2.114 -8.421 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -22.039 -2.013 -8.644 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -22.132 -3.760 -8.737 1.00 0.00 H new ATOM 2072 N CYS B 76 -20.969 -2.813 -5.911 1.00 0.00 N ATOM 2073 CA CYS B 76 -21.097 -2.879 -4.480 1.00 0.00 C ATOM 2074 C CYS B 76 -19.975 -2.157 -3.693 1.00 0.00 C ATOM 2075 O CYS B 76 -20.271 -1.333 -2.834 1.00 0.00 O ATOM 2076 CB CYS B 76 -21.077 -4.349 -4.069 1.00 0.00 C ATOM 2077 SG CYS B 76 -22.679 -5.211 -4.180 1.00 0.00 S ATOM 0 H CYS B 76 -20.022 -2.619 -6.237 1.00 0.00 H new ATOM 0 HA CYS B 76 -22.029 -2.370 -4.234 1.00 0.00 H new ATOM 0 HB2 CYS B 76 -20.356 -4.875 -4.695 1.00 0.00 H new ATOM 0 HB3 CYS B 76 -20.717 -4.417 -3.043 1.00 0.00 H new ATOM 2082 N LEU B 77 -18.695 -2.399 -4.022 1.00 0.00 N ATOM 2083 CA LEU B 77 -17.600 -1.892 -3.156 1.00 0.00 C ATOM 2084 C LEU B 77 -16.546 -0.919 -3.750 1.00 0.00 C ATOM 2085 O LEU B 77 -15.625 -0.552 -3.026 1.00 0.00 O ATOM 2086 CB LEU B 77 -16.861 -3.123 -2.612 1.00 0.00 C ATOM 2087 CG LEU B 77 -15.656 -2.840 -1.706 1.00 0.00 C ATOM 2088 CD1 LEU B 77 -16.092 -2.108 -0.460 1.00 0.00 C ATOM 2089 CD2 LEU B 77 -14.913 -4.117 -1.350 1.00 0.00 C ATOM 0 H LEU B 77 -18.393 -2.920 -4.845 1.00 0.00 H new ATOM 0 HA LEU B 77 -18.109 -1.270 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -17.573 -3.733 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -16.522 -3.721 -3.458 1.00 0.00 H new ATOM 0 HG LEU B 77 -14.966 -2.203 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -15.224 -1.915 0.171 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -16.556 -1.162 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -16.811 -2.718 0.087 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -14.066 -3.878 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -15.586 -4.795 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -14.554 -4.595 -2.261 1.00 0.00 H new ATOM 2101 N TRP B 78 -16.654 -0.460 -4.993 1.00 0.00 N ATOM 2102 CA TRP B 78 -15.615 0.439 -5.547 1.00 0.00 C ATOM 2103 C TRP B 78 -14.945 1.275 -4.457 1.00 0.00 C ATOM 2104 O TRP B 78 -15.663 1.983 -3.725 1.00 0.00 O ATOM 2105 CB TRP B 78 -16.159 1.378 -6.639 1.00 0.00 C ATOM 2106 CG TRP B 78 -15.994 0.852 -8.038 1.00 0.00 C ATOM 2107 CD1 TRP B 78 -15.081 -0.045 -8.478 1.00 0.00 C ATOM 2108 CD2 TRP B 78 -16.826 1.154 -9.160 1.00 0.00 C ATOM 2109 NE1 TRP B 78 -15.273 -0.310 -9.808 1.00 0.00 N ATOM 2110 CE2 TRP B 78 -16.344 0.423 -10.248 1.00 0.00 C ATOM 2111 CE3 TRP B 78 -17.932 1.978 -9.334 1.00 0.00 C ATOM 2112 CZ2 TRP B 78 -16.931 0.492 -11.499 1.00 0.00 C ATOM 2113 CZ3 TRP B 78 -18.520 2.050 -10.579 1.00 0.00 C ATOM 2114 CH2 TRP B 78 -18.016 1.311 -11.652 1.00 0.00 C ATOM 2115 OXT TRP B 78 -13.703 1.208 -4.344 1.00 0.00 O ATOM 0 H TRP B 78 -17.421 -0.680 -5.629 1.00 0.00 H new ATOM 0 HA TRP B 78 -14.875 -0.221 -6.000 1.00 0.00 H new ATOM 0 HB2 TRP B 78 -17.218 1.560 -6.453 1.00 0.00 H new ATOM 0 HB3 TRP B 78 -15.652 2.340 -6.562 1.00 0.00 H new ATOM 0 HD1 TRP B 78 -14.310 -0.489 -7.866 1.00 0.00 H new ATOM 0 HE1 TRP B 78 -14.713 -0.946 -10.376 1.00 0.00 H new ATOM 0 HE3 TRP B 78 -18.324 2.552 -8.508 1.00 0.00 H new ATOM 0 HZ2 TRP B 78 -16.545 -0.082 -12.328 1.00 0.00 H new ATOM 0 HZ3 TRP B 78 -19.381 2.685 -10.726 1.00 0.00 H new ATOM 0 HH2 TRP B 78 -18.491 1.388 -12.619 1.00 0.00 H new TER 2126 TRP B 78