USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 SER OG : rot 180:sc= -0.93 USER MOD Set 1.2: A 58 GLN : amide:sc= 0.148 X(o=-1.5,f=-1.5) USER MOD Set 1.3: A 64 SER OG : rot 53:sc= 0 USER MOD Set 1.4: A 67 GLN : amide:sc= -0.76 K(o=-1.5,f=-2.9!) USER MOD Set 2.1: A 10 CYS SG : rot -85:sc= -0.338 USER MOD Set 2.2: A 12 SER OG : rot -166:sc= 0.16 USER MOD Set 2.3: A 17 TYR OH : rot 48:sc= 0.0678 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -1.73! USER MOD Single : A 7 SER OG : rot 180:sc= 0.172 USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= -0.0655 (180deg=-0.431) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -3.51 K(o=-3.5,f=-7.1!) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 52:sc= -0.628 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -158:sc= -0.27 (180deg=-1.07) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 15:sc= 0.7 USER MOD Single : A 44 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 45 ASN : amide:sc= -0.095 X(o=-0.095,f=-0.095) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 3:sc= 0.588 USER MOD Single : A 48 CYS SG : rot 63:sc= 1.24 USER MOD Single : A 50 ASN : amide:sc= -0.562 K(o=-0.56,f=-6!) USER MOD Single : A 51 TYR OH : rot 30:sc= -1.39 USER MOD Single : A 52 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.27) USER MOD Single : A 53 LYS NZ :NH3+ -147:sc= -2.34! (180deg=-3.9!) USER MOD Single : A 54 GLN : amide:sc=-0.00224 X(o=-0.0022,f=0) USER MOD Single : A 59 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.56) USER MOD Single : A 62 ASN : amide:sc= -0.958 K(o=-0.96,f=-0.34) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0566 X(o=-0.057,f=-0.057) USER MOD Single : A 70 MET CE :methyl -158:sc= -0.227 (180deg=-0.875) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -13:sc= -0.508 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -14:sc= 0.608 USER MOD Single : A 79 ASN : amide:sc= -2.14 K(o=-2.1,f=-6.2!) USER MOD Single : A 80 SER OG : rot -7:sc= -0.0519 USER MOD Single : A 81 HIS : no HE2:sc= 0.114 K(o=0.11,f=-4.8!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.743 K(o=-0.74,f=-1.9) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -1.05 K(o=-1.1,f=-3.4!) USER MOD Single : A 95 LYS NZ :NH3+ -116:sc= -0.343 (180deg=-1.88) USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= -0.0291 (180deg=-0.207) USER MOD Single : A 101 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.42) USER MOD Single : A 104 GLN : amide:sc= -3.82! C(o=-3.8!,f=-11!) USER MOD Single : A 111 GLN : amide:sc= -0.92 K(o=-0.92,f=-3.5!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -50:sc= 1.12 USER MOD Single : A 119 SER OG : rot -23:sc= 0.465 USER MOD Single : A 122 SER OG : rot -16:sc= 0.872 USER MOD Single : A 123 SER OG : rot 180:sc= -0.799 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -50.226 -16.663 10.669 1.00 0.00 N ATOM 2 CA GLY A 1 -50.589 -15.250 10.374 1.00 0.00 C ATOM 3 C GLY A 1 -49.747 -14.654 9.260 1.00 0.00 C ATOM 4 O GLY A 1 -48.691 -14.077 9.520 1.00 0.00 O ATOM 0 H1 GLY A 1 -50.829 -17.023 11.436 1.00 0.00 H new ATOM 0 H2 GLY A 1 -50.366 -17.243 9.817 1.00 0.00 H new ATOM 0 H3 GLY A 1 -49.229 -16.712 10.961 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -51.642 -15.199 10.096 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -50.468 -14.651 11.277 1.00 0.00 H new ATOM 10 N PRO A 2 -50.192 -14.779 7.998 1.00 0.00 N ATOM 11 CA PRO A 2 -49.461 -14.243 6.846 1.00 0.00 C ATOM 12 C PRO A 2 -49.109 -12.769 7.018 1.00 0.00 C ATOM 13 O PRO A 2 -49.871 -12.004 7.610 1.00 0.00 O ATOM 14 CB PRO A 2 -50.441 -14.427 5.685 1.00 0.00 C ATOM 15 CG PRO A 2 -51.316 -15.557 6.102 1.00 0.00 C ATOM 16 CD PRO A 2 -51.442 -15.453 7.597 1.00 0.00 C ATOM 0 HA PRO A 2 -48.506 -14.748 6.699 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -51.021 -13.521 5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -49.917 -14.654 4.757 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -52.293 -15.492 5.623 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -50.882 -16.514 5.813 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -52.320 -14.877 7.887 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -51.537 -16.434 8.062 1.00 0.00 H new ATOM 24 N LEU A 3 -47.951 -12.377 6.498 1.00 0.00 N ATOM 25 CA LEU A 3 -47.498 -10.994 6.595 1.00 0.00 C ATOM 26 C LEU A 3 -46.653 -10.613 5.384 1.00 0.00 C ATOM 27 O LEU A 3 -45.694 -11.304 5.041 1.00 0.00 O ATOM 28 CB LEU A 3 -46.692 -10.782 7.881 1.00 0.00 C ATOM 29 CG LEU A 3 -45.390 -11.582 7.979 1.00 0.00 C ATOM 30 CD1 LEU A 3 -44.641 -11.225 9.253 1.00 0.00 C ATOM 31 CD2 LEU A 3 -45.673 -13.076 7.931 1.00 0.00 C ATOM 0 H LEU A 3 -47.309 -12.997 6.005 1.00 0.00 H new ATOM 0 HA LEU A 3 -48.379 -10.353 6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -46.455 -9.722 7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -47.322 -11.041 8.732 1.00 0.00 H new ATOM 0 HG LEU A 3 -44.764 -11.323 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -43.718 -11.803 9.307 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -44.403 -10.161 9.249 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -45.264 -11.455 10.118 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -44.735 -13.626 8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -46.319 -13.351 8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -46.168 -13.323 6.992 1.00 0.00 H new ATOM 43 N GLY A 4 -47.016 -9.508 4.740 1.00 0.00 N ATOM 44 CA GLY A 4 -46.282 -9.054 3.574 1.00 0.00 C ATOM 45 C GLY A 4 -47.196 -8.573 2.464 1.00 0.00 C ATOM 46 O GLY A 4 -47.447 -7.376 2.333 1.00 0.00 O ATOM 0 H GLY A 4 -47.806 -8.919 5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -45.611 -8.246 3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -45.660 -9.867 3.201 1.00 0.00 H new ATOM 50 N SER A 5 -47.694 -9.510 1.664 1.00 0.00 N ATOM 51 CA SER A 5 -48.587 -9.177 0.560 1.00 0.00 C ATOM 52 C SER A 5 -50.018 -8.929 1.045 1.00 0.00 C ATOM 53 O SER A 5 -50.726 -8.090 0.487 1.00 0.00 O ATOM 54 CB SER A 5 -48.573 -10.286 -0.496 1.00 0.00 C ATOM 55 OG SER A 5 -49.018 -11.518 0.044 1.00 0.00 O ATOM 0 H SER A 5 -47.494 -10.506 1.759 1.00 0.00 H new ATOM 0 HA SER A 5 -48.221 -8.253 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 5 -49.211 -10.002 -1.333 1.00 0.00 H new ATOM 0 HB3 SER A 5 -47.563 -10.403 -0.890 1.00 0.00 H new ATOM 0 HG SER A 5 -49.000 -12.206 -0.653 1.00 0.00 H new ATOM 61 N PRO A 6 -50.473 -9.652 2.088 1.00 0.00 N ATOM 62 CA PRO A 6 -51.818 -9.493 2.624 1.00 0.00 C ATOM 63 C PRO A 6 -51.893 -8.435 3.721 1.00 0.00 C ATOM 64 O PRO A 6 -52.901 -8.322 4.419 1.00 0.00 O ATOM 65 CB PRO A 6 -52.108 -10.878 3.192 1.00 0.00 C ATOM 66 CG PRO A 6 -50.778 -11.398 3.638 1.00 0.00 C ATOM 67 CD PRO A 6 -49.721 -10.679 2.828 1.00 0.00 C ATOM 0 HA PRO A 6 -52.530 -9.156 1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -52.810 -10.825 4.024 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -52.554 -11.528 2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -50.633 -11.220 4.704 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -50.715 -12.475 3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -48.962 -10.232 3.470 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -49.205 -11.360 2.151 1.00 0.00 H new ATOM 75 N SER A 7 -50.822 -7.659 3.870 1.00 0.00 N ATOM 76 CA SER A 7 -50.773 -6.611 4.883 1.00 0.00 C ATOM 77 C SER A 7 -50.985 -5.230 4.262 1.00 0.00 C ATOM 78 O SER A 7 -50.805 -4.210 4.928 1.00 0.00 O ATOM 79 CB SER A 7 -49.434 -6.649 5.621 1.00 0.00 C ATOM 80 OG SER A 7 -49.243 -7.896 6.266 1.00 0.00 O ATOM 0 H SER A 7 -49.978 -7.737 3.302 1.00 0.00 H new ATOM 0 HA SER A 7 -51.580 -6.794 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 7 -48.622 -6.472 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 7 -49.398 -5.846 6.357 1.00 0.00 H new ATOM 0 HG SER A 7 -48.379 -7.896 6.729 1.00 0.00 H new ATOM 86 N LYS A 8 -51.367 -5.203 2.987 1.00 0.00 N ATOM 87 CA LYS A 8 -51.602 -3.947 2.282 1.00 0.00 C ATOM 88 C LYS A 8 -50.318 -3.127 2.180 1.00 0.00 C ATOM 89 O LYS A 8 -49.659 -3.118 1.140 1.00 0.00 O ATOM 90 CB LYS A 8 -52.694 -3.129 2.983 1.00 0.00 C ATOM 91 CG LYS A 8 -54.082 -3.750 2.907 1.00 0.00 C ATOM 92 CD LYS A 8 -54.136 -5.110 3.587 1.00 0.00 C ATOM 93 CE LYS A 8 -55.552 -5.660 3.620 1.00 0.00 C ATOM 94 NZ LYS A 8 -56.480 -4.762 4.362 1.00 0.00 N ATOM 0 H LYS A 8 -51.520 -6.038 2.421 1.00 0.00 H new ATOM 0 HA LYS A 8 -51.937 -4.189 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -52.422 -3.002 4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -52.728 -2.134 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -54.804 -3.082 3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -54.376 -3.855 1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -53.486 -5.808 3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -53.754 -5.025 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -55.914 -5.793 2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -55.548 -6.645 4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -57.350 -5.280 4.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -56.023 -4.437 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -56.716 -3.941 3.769 1.00 0.00 H new ATOM 108 N ASP A 9 -49.968 -2.440 3.263 1.00 0.00 N ATOM 109 CA ASP A 9 -48.763 -1.619 3.290 1.00 0.00 C ATOM 110 C ASP A 9 -48.418 -1.204 4.716 1.00 0.00 C ATOM 111 O ASP A 9 -49.300 -1.066 5.564 1.00 0.00 O ATOM 112 CB ASP A 9 -48.946 -0.378 2.415 1.00 0.00 C ATOM 113 CG ASP A 9 -50.101 0.489 2.876 1.00 0.00 C ATOM 114 OD1 ASP A 9 -50.064 0.962 4.031 1.00 0.00 O ATOM 115 OD2 ASP A 9 -51.044 0.694 2.082 1.00 0.00 O ATOM 0 H ASP A 9 -50.501 -2.436 4.132 1.00 0.00 H new ATOM 0 HA ASP A 9 -47.940 -2.215 2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -48.028 0.209 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -49.116 -0.686 1.383 1.00 0.00 H new ATOM 120 N CYS A 10 -47.130 -1.006 4.974 1.00 0.00 N ATOM 121 CA CYS A 10 -46.668 -0.606 6.298 1.00 0.00 C ATOM 122 C CYS A 10 -46.685 0.912 6.445 1.00 0.00 C ATOM 123 O CYS A 10 -47.079 1.441 7.485 1.00 0.00 O ATOM 124 CB CYS A 10 -45.257 -1.139 6.553 1.00 0.00 C ATOM 125 SG CYS A 10 -44.021 -0.548 5.373 1.00 0.00 S ATOM 0 H CYS A 10 -46.387 -1.116 4.284 1.00 0.00 H new ATOM 0 HA CYS A 10 -47.348 -1.032 7.036 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -44.949 -0.854 7.559 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -45.281 -2.228 6.523 1.00 0.00 H new ATOM 0 HG CYS A 10 -44.025 -1.312 4.321 1.00 0.00 H new ATOM 131 N GLY A 11 -46.257 1.609 5.397 1.00 0.00 N ATOM 132 CA GLY A 11 -46.232 3.059 5.431 1.00 0.00 C ATOM 133 C GLY A 11 -45.103 3.641 4.603 1.00 0.00 C ATOM 134 O GLY A 11 -44.407 4.555 5.046 1.00 0.00 O ATOM 0 H GLY A 11 -45.927 1.195 4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -47.183 3.444 5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -46.130 3.393 6.464 1.00 0.00 H new ATOM 138 N SER A 12 -44.922 3.112 3.398 1.00 0.00 N ATOM 139 CA SER A 12 -43.871 3.585 2.504 1.00 0.00 C ATOM 140 C SER A 12 -44.374 4.739 1.637 1.00 0.00 C ATOM 141 O SER A 12 -45.235 4.546 0.779 1.00 0.00 O ATOM 142 CB SER A 12 -43.379 2.442 1.615 1.00 0.00 C ATOM 143 OG SER A 12 -42.861 1.376 2.392 1.00 0.00 O ATOM 0 H SER A 12 -45.490 2.355 3.017 1.00 0.00 H new ATOM 0 HA SER A 12 -43.042 3.945 3.114 1.00 0.00 H new ATOM 0 HB2 SER A 12 -44.200 2.079 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 12 -42.608 2.810 0.938 1.00 0.00 H new ATOM 0 HG SER A 12 -42.353 0.768 1.815 1.00 0.00 H new ATOM 149 N PRO A 13 -43.847 5.959 1.850 1.00 0.00 N ATOM 150 CA PRO A 13 -44.257 7.139 1.080 1.00 0.00 C ATOM 151 C PRO A 13 -44.092 6.940 -0.424 1.00 0.00 C ATOM 152 O PRO A 13 -45.073 6.916 -1.167 1.00 0.00 O ATOM 153 CB PRO A 13 -43.321 8.244 1.580 1.00 0.00 C ATOM 154 CG PRO A 13 -42.875 7.787 2.925 1.00 0.00 C ATOM 155 CD PRO A 13 -42.819 6.288 2.854 1.00 0.00 C ATOM 0 HA PRO A 13 -45.314 7.365 1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -42.474 8.379 0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -43.837 9.202 1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -41.899 8.203 3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -43.569 8.116 3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -41.833 5.936 2.551 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -43.038 5.831 3.819 1.00 0.00 H new ATOM 163 N LYS A 14 -42.846 6.805 -0.868 1.00 0.00 N ATOM 164 CA LYS A 14 -42.557 6.617 -2.283 1.00 0.00 C ATOM 165 C LYS A 14 -42.035 5.208 -2.555 1.00 0.00 C ATOM 166 O LYS A 14 -41.359 4.969 -3.555 1.00 0.00 O ATOM 167 CB LYS A 14 -41.534 7.655 -2.747 1.00 0.00 C ATOM 168 CG LYS A 14 -41.376 7.725 -4.255 1.00 0.00 C ATOM 169 CD LYS A 14 -42.721 7.914 -4.934 1.00 0.00 C ATOM 170 CE LYS A 14 -42.562 8.237 -6.411 1.00 0.00 C ATOM 171 NZ LYS A 14 -43.878 8.423 -7.083 1.00 0.00 N ATOM 0 H LYS A 14 -42.022 6.822 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 14 -43.484 6.748 -2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -41.831 8.636 -2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -40.567 7.424 -2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -40.713 8.550 -4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -40.906 6.811 -4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -43.317 7.008 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -43.268 8.718 -4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -41.966 9.143 -6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -42.014 7.433 -6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -43.727 8.642 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -44.437 7.550 -6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -44.391 9.207 -6.632 1.00 0.00 H new ATOM 185 N TYR A 15 -42.354 4.277 -1.661 1.00 0.00 N ATOM 186 CA TYR A 15 -41.916 2.892 -1.807 1.00 0.00 C ATOM 187 C TYR A 15 -40.395 2.812 -1.897 1.00 0.00 C ATOM 188 O TYR A 15 -39.803 3.176 -2.913 1.00 0.00 O ATOM 189 CB TYR A 15 -42.553 2.266 -3.052 1.00 0.00 C ATOM 190 CG TYR A 15 -42.238 0.795 -3.232 1.00 0.00 C ATOM 191 CD1 TYR A 15 -40.946 0.364 -3.512 1.00 0.00 C ATOM 192 CD2 TYR A 15 -43.237 -0.164 -3.116 1.00 0.00 C ATOM 193 CE1 TYR A 15 -40.661 -0.978 -3.673 1.00 0.00 C ATOM 194 CE2 TYR A 15 -42.959 -1.508 -3.276 1.00 0.00 C ATOM 195 CZ TYR A 15 -41.670 -1.910 -3.554 1.00 0.00 C ATOM 196 OH TYR A 15 -41.389 -3.248 -3.713 1.00 0.00 O ATOM 0 H TYR A 15 -42.914 4.456 -0.828 1.00 0.00 H new ATOM 0 HA TYR A 15 -42.237 2.335 -0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -43.634 2.391 -2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -42.214 2.810 -3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -40.152 1.090 -3.605 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -44.248 0.146 -2.897 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -39.652 -1.296 -3.891 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -43.748 -2.240 -3.184 1.00 0.00 H new ATOM 0 HH TYR A 15 -42.210 -3.771 -3.596 1.00 0.00 H new ATOM 206 N ALA A 16 -39.766 2.335 -0.827 1.00 0.00 N ATOM 207 CA ALA A 16 -38.314 2.213 -0.790 1.00 0.00 C ATOM 208 C ALA A 16 -37.887 0.822 -0.332 1.00 0.00 C ATOM 209 O ALA A 16 -37.487 0.634 0.817 1.00 0.00 O ATOM 210 CB ALA A 16 -37.718 3.276 0.120 1.00 0.00 C ATOM 0 H ALA A 16 -40.238 2.028 0.023 1.00 0.00 H new ATOM 0 HA ALA A 16 -37.938 2.363 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -36.633 3.173 0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -37.982 4.265 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -38.111 3.153 1.129 1.00 0.00 H new ATOM 216 N TYR A 17 -37.965 -0.146 -1.241 1.00 0.00 N ATOM 217 CA TYR A 17 -37.581 -1.518 -0.937 1.00 0.00 C ATOM 218 C TYR A 17 -36.381 -1.944 -1.770 1.00 0.00 C ATOM 219 O TYR A 17 -35.646 -2.853 -1.382 1.00 0.00 O ATOM 220 CB TYR A 17 -38.738 -2.484 -1.188 1.00 0.00 C ATOM 221 CG TYR A 17 -39.919 -2.321 -0.247 1.00 0.00 C ATOM 222 CD1 TYR A 17 -39.856 -1.477 0.857 1.00 0.00 C ATOM 223 CD2 TYR A 17 -41.098 -3.023 -0.466 1.00 0.00 C ATOM 224 CE1 TYR A 17 -40.934 -1.337 1.711 1.00 0.00 C ATOM 225 CE2 TYR A 17 -42.179 -2.888 0.385 1.00 0.00 C ATOM 226 CZ TYR A 17 -42.092 -2.044 1.471 1.00 0.00 C ATOM 227 OH TYR A 17 -43.166 -1.908 2.320 1.00 0.00 O ATOM 0 H TYR A 17 -38.292 -0.003 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 17 -37.315 -1.552 0.119 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -39.087 -2.353 -2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -38.365 -3.505 -1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -38.950 -0.922 1.050 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -41.171 -3.686 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -40.869 -0.676 2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -43.088 -3.441 0.200 1.00 0.00 H new ATOM 0 HH TYR A 17 -43.336 -0.957 2.482 1.00 0.00 H new ATOM 237 N PHE A 18 -36.178 -1.280 -2.914 1.00 0.00 N ATOM 238 CA PHE A 18 -35.047 -1.592 -3.792 1.00 0.00 C ATOM 239 C PHE A 18 -33.802 -1.896 -2.969 1.00 0.00 C ATOM 240 O PHE A 18 -32.983 -2.730 -3.350 1.00 0.00 O ATOM 241 CB PHE A 18 -34.772 -0.446 -4.781 1.00 0.00 C ATOM 242 CG PHE A 18 -35.388 0.873 -4.396 1.00 0.00 C ATOM 243 CD1 PHE A 18 -35.150 1.431 -3.153 1.00 0.00 C ATOM 244 CD2 PHE A 18 -36.210 1.551 -5.283 1.00 0.00 C ATOM 245 CE1 PHE A 18 -35.717 2.639 -2.798 1.00 0.00 C ATOM 246 CE2 PHE A 18 -36.781 2.760 -4.934 1.00 0.00 C ATOM 247 CZ PHE A 18 -36.534 3.305 -3.690 1.00 0.00 C ATOM 0 H PHE A 18 -36.779 -0.528 -3.251 1.00 0.00 H new ATOM 0 HA PHE A 18 -35.309 -2.477 -4.372 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -33.694 -0.315 -4.875 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -35.145 -0.734 -5.764 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -34.512 0.915 -2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -36.406 1.129 -6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -35.522 3.062 -1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -37.420 3.278 -5.634 1.00 0.00 H new ATOM 0 HZ PHE A 18 -36.979 4.250 -3.415 1.00 0.00 H new ATOM 257 N ASN A 19 -33.706 -1.223 -1.822 1.00 0.00 N ATOM 258 CA ASN A 19 -32.612 -1.388 -0.873 1.00 0.00 C ATOM 259 C ASN A 19 -32.313 -0.055 -0.206 1.00 0.00 C ATOM 260 O ASN A 19 -31.931 0.002 0.962 1.00 0.00 O ATOM 261 CB ASN A 19 -31.335 -1.929 -1.531 1.00 0.00 C ATOM 262 CG ASN A 19 -30.857 -1.056 -2.675 1.00 0.00 C ATOM 263 OD1 ASN A 19 -30.599 0.134 -2.496 1.00 0.00 O ATOM 264 ND2 ASN A 19 -30.731 -1.645 -3.859 1.00 0.00 N ATOM 0 H ASN A 19 -34.400 -0.537 -1.524 1.00 0.00 H new ATOM 0 HA ASN A 19 -32.932 -2.123 -0.134 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -30.547 -2.003 -0.781 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -31.520 -2.938 -1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -30.409 -1.108 -4.664 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -30.956 -2.634 -3.963 1.00 0.00 H new ATOM 271 N GLY A 20 -32.498 1.018 -0.967 1.00 0.00 N ATOM 272 CA GLY A 20 -32.254 2.349 -0.447 1.00 0.00 C ATOM 273 C GLY A 20 -30.936 2.924 -0.914 1.00 0.00 C ATOM 274 O GLY A 20 -30.749 3.180 -2.103 1.00 0.00 O ATOM 0 H GLY A 20 -32.813 0.989 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -33.064 3.010 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -32.266 2.317 0.642 1.00 0.00 H new ATOM 278 N CYS A 21 -30.022 3.133 0.024 1.00 0.00 N ATOM 279 CA CYS A 21 -28.718 3.689 -0.304 1.00 0.00 C ATOM 280 C CYS A 21 -27.754 2.609 -0.762 1.00 0.00 C ATOM 281 O CYS A 21 -27.548 1.606 -0.078 1.00 0.00 O ATOM 282 CB CYS A 21 -28.120 4.425 0.892 1.00 0.00 C ATOM 283 SG CYS A 21 -29.061 5.877 1.416 1.00 0.00 S ATOM 0 H CYS A 21 -30.159 2.927 1.013 1.00 0.00 H new ATOM 0 HA CYS A 21 -28.869 4.395 -1.121 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -28.046 3.732 1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -27.105 4.734 0.643 1.00 0.00 H new ATOM 0 HG CYS A 21 -28.474 6.429 2.436 1.00 0.00 H new ATOM 289 N SER A 22 -27.156 2.832 -1.922 1.00 0.00 N ATOM 290 CA SER A 22 -26.196 1.895 -2.483 1.00 0.00 C ATOM 291 C SER A 22 -25.030 1.670 -1.525 1.00 0.00 C ATOM 292 O SER A 22 -24.433 0.593 -1.499 1.00 0.00 O ATOM 293 CB SER A 22 -25.673 2.422 -3.816 1.00 0.00 C ATOM 294 OG SER A 22 -26.700 2.463 -4.791 1.00 0.00 O ATOM 0 H SER A 22 -27.320 3.659 -2.496 1.00 0.00 H new ATOM 0 HA SER A 22 -26.701 0.942 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A 22 -25.260 3.421 -3.678 1.00 0.00 H new ATOM 0 HB3 SER A 22 -24.860 1.786 -4.167 1.00 0.00 H new ATOM 0 HG SER A 22 -26.337 2.806 -5.634 1.00 0.00 H new ATOM 300 N SER A 23 -24.707 2.696 -0.743 1.00 0.00 N ATOM 301 CA SER A 23 -23.608 2.616 0.214 1.00 0.00 C ATOM 302 C SER A 23 -23.783 1.444 1.173 1.00 0.00 C ATOM 303 O SER A 23 -24.631 1.487 2.065 1.00 0.00 O ATOM 304 CB SER A 23 -23.503 3.913 1.022 1.00 0.00 C ATOM 305 OG SER A 23 -23.116 4.999 0.199 1.00 0.00 O ATOM 0 H SER A 23 -25.191 3.594 -0.753 1.00 0.00 H new ATOM 0 HA SER A 23 -22.693 2.464 -0.359 1.00 0.00 H new ATOM 0 HB2 SER A 23 -24.463 4.132 1.490 1.00 0.00 H new ATOM 0 HB3 SER A 23 -22.778 3.786 1.826 1.00 0.00 H new ATOM 0 HG SER A 23 -23.058 5.815 0.739 1.00 0.00 H new ATOM 311 N PRO A 24 -22.964 0.386 1.028 1.00 0.00 N ATOM 312 CA PRO A 24 -23.029 -0.775 1.918 1.00 0.00 C ATOM 313 C PRO A 24 -22.817 -0.366 3.373 1.00 0.00 C ATOM 314 O PRO A 24 -23.143 -1.113 4.295 1.00 0.00 O ATOM 315 CB PRO A 24 -21.881 -1.672 1.438 1.00 0.00 C ATOM 316 CG PRO A 24 -21.594 -1.221 0.047 1.00 0.00 C ATOM 317 CD PRO A 24 -21.902 0.248 0.017 1.00 0.00 C ATOM 0 HA PRO A 24 -23.999 -1.271 1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -21.004 -1.566 2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -22.166 -2.724 1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.553 -1.407 -0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -22.207 -1.763 -0.673 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -21.027 0.849 0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.239 0.569 -0.968 1.00 0.00 H new ATOM 325 N THR A 25 -22.267 0.835 3.559 1.00 0.00 N ATOM 326 CA THR A 25 -22.001 1.380 4.883 1.00 0.00 C ATOM 327 C THR A 25 -23.285 1.504 5.699 1.00 0.00 C ATOM 328 O THR A 25 -23.827 2.598 5.862 1.00 0.00 O ATOM 329 CB THR A 25 -21.337 2.750 4.748 1.00 0.00 C ATOM 330 OG1 THR A 25 -22.126 3.611 3.947 1.00 0.00 O ATOM 331 CG2 THR A 25 -19.955 2.689 4.134 1.00 0.00 C ATOM 0 H THR A 25 -21.995 1.453 2.795 1.00 0.00 H new ATOM 0 HA THR A 25 -21.333 0.696 5.407 1.00 0.00 H new ATOM 0 HB THR A 25 -21.247 3.129 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 25 -23.044 3.627 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.542 3.695 4.067 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.307 2.071 4.756 1.00 0.00 H new ATOM 0 HG23 THR A 25 -20.019 2.256 3.136 1.00 0.00 H new ATOM 339 N ALA A 26 -23.763 0.378 6.210 1.00 0.00 N ATOM 340 CA ALA A 26 -24.981 0.355 7.011 1.00 0.00 C ATOM 341 C ALA A 26 -24.836 1.221 8.262 1.00 0.00 C ATOM 342 O ALA A 26 -25.689 2.062 8.544 1.00 0.00 O ATOM 343 CB ALA A 26 -25.333 -1.075 7.394 1.00 0.00 C ATOM 0 H ALA A 26 -23.325 -0.535 6.084 1.00 0.00 H new ATOM 0 HA ALA A 26 -25.790 0.768 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -26.244 -1.078 7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -25.489 -1.665 6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -24.518 -1.508 7.974 1.00 0.00 H new ATOM 349 N PRO A 27 -23.751 1.024 9.034 1.00 0.00 N ATOM 350 CA PRO A 27 -23.501 1.791 10.260 1.00 0.00 C ATOM 351 C PRO A 27 -23.453 3.294 10.003 1.00 0.00 C ATOM 352 O PRO A 27 -24.015 3.786 9.024 1.00 0.00 O ATOM 353 CB PRO A 27 -22.134 1.285 10.733 1.00 0.00 C ATOM 354 CG PRO A 27 -21.975 -0.051 10.095 1.00 0.00 C ATOM 355 CD PRO A 27 -22.686 0.038 8.776 1.00 0.00 C ATOM 0 HA PRO A 27 -24.295 1.651 10.993 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -21.336 1.964 10.431 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -22.095 1.210 11.820 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -20.922 -0.295 9.956 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -22.404 -0.835 10.718 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -22.018 0.366 7.980 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -23.094 -0.926 8.473 1.00 0.00 H new ATOM 363 N LEU A 28 -22.778 4.021 10.887 1.00 0.00 N ATOM 364 CA LEU A 28 -22.658 5.469 10.753 1.00 0.00 C ATOM 365 C LEU A 28 -21.261 5.940 11.143 1.00 0.00 C ATOM 366 O LEU A 28 -20.647 6.741 10.438 1.00 0.00 O ATOM 367 CB LEU A 28 -23.710 6.179 11.613 1.00 0.00 C ATOM 368 CG LEU A 28 -23.619 5.915 13.119 1.00 0.00 C ATOM 369 CD1 LEU A 28 -24.624 6.775 13.870 1.00 0.00 C ATOM 370 CD2 LEU A 28 -23.852 4.441 13.422 1.00 0.00 C ATOM 0 H LEU A 28 -22.306 3.632 11.703 1.00 0.00 H new ATOM 0 HA LEU A 28 -22.828 5.723 9.707 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -23.627 7.253 11.445 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -24.699 5.878 11.268 1.00 0.00 H new ATOM 0 HG LEU A 28 -22.616 6.180 13.453 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -24.547 6.576 14.939 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -24.415 7.828 13.681 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -25.632 6.539 13.529 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -23.783 4.275 14.497 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -24.843 4.150 13.073 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -23.097 3.841 12.913 1.00 0.00 H new ATOM 382 N SER A 29 -20.764 5.439 12.268 1.00 0.00 N ATOM 383 CA SER A 29 -19.439 5.809 12.750 1.00 0.00 C ATOM 384 C SER A 29 -18.474 4.630 12.641 1.00 0.00 C ATOM 385 O SER A 29 -18.585 3.661 13.392 1.00 0.00 O ATOM 386 CB SER A 29 -19.518 6.283 14.203 1.00 0.00 C ATOM 387 OG SER A 29 -18.238 6.649 14.690 1.00 0.00 O ATOM 0 H SER A 29 -21.259 4.775 12.864 1.00 0.00 H new ATOM 0 HA SER A 29 -19.065 6.622 12.128 1.00 0.00 H new ATOM 0 HB2 SER A 29 -20.195 7.134 14.275 1.00 0.00 H new ATOM 0 HB3 SER A 29 -19.935 5.491 14.825 1.00 0.00 H new ATOM 0 HG SER A 29 -18.315 6.950 15.620 1.00 0.00 H new ATOM 393 N PRO A 30 -17.507 4.693 11.706 1.00 0.00 N ATOM 394 CA PRO A 30 -16.528 3.619 11.520 1.00 0.00 C ATOM 395 C PRO A 30 -15.676 3.404 12.765 1.00 0.00 C ATOM 396 O PRO A 30 -15.195 2.300 13.019 1.00 0.00 O ATOM 397 CB PRO A 30 -15.662 4.106 10.352 1.00 0.00 C ATOM 398 CG PRO A 30 -15.880 5.578 10.294 1.00 0.00 C ATOM 399 CD PRO A 30 -17.287 5.807 10.767 1.00 0.00 C ATOM 0 HA PRO A 30 -17.009 2.660 11.328 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.611 3.869 10.516 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.955 3.627 9.418 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.165 6.104 10.927 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.743 5.953 9.280 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.396 6.775 11.257 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -17.999 5.786 9.942 1.00 0.00 H new ATOM 407 N MET A 31 -15.498 4.468 13.542 1.00 0.00 N ATOM 408 CA MET A 31 -14.708 4.399 14.767 1.00 0.00 C ATOM 409 C MET A 31 -13.300 3.884 14.488 1.00 0.00 C ATOM 410 O MET A 31 -13.007 3.402 13.394 1.00 0.00 O ATOM 411 CB MET A 31 -15.398 3.492 15.788 1.00 0.00 C ATOM 412 CG MET A 31 -16.755 4.004 16.239 1.00 0.00 C ATOM 413 SD MET A 31 -17.611 2.842 17.319 1.00 0.00 S ATOM 414 CE MET A 31 -17.775 1.430 16.230 1.00 0.00 C ATOM 0 H MET A 31 -15.890 5.389 13.345 1.00 0.00 H new ATOM 0 HA MET A 31 -14.629 5.408 15.173 1.00 0.00 H new ATOM 0 HB2 MET A 31 -15.519 2.499 15.355 1.00 0.00 H new ATOM 0 HB3 MET A 31 -14.752 3.383 16.659 1.00 0.00 H new ATOM 0 HG2 MET A 31 -16.626 4.952 16.761 1.00 0.00 H new ATOM 0 HG3 MET A 31 -17.373 4.204 15.364 1.00 0.00 H new ATOM 0 HE1 MET A 31 -18.591 0.796 16.577 1.00 0.00 H new ATOM 0 HE2 MET A 31 -17.988 1.774 15.218 1.00 0.00 H new ATOM 0 HE3 MET A 31 -16.846 0.859 16.232 1.00 0.00 H new ATOM 424 N SER A 32 -12.435 3.985 15.490 1.00 0.00 N ATOM 425 CA SER A 32 -11.058 3.525 15.364 1.00 0.00 C ATOM 426 C SER A 32 -10.641 2.740 16.603 1.00 0.00 C ATOM 427 O SER A 32 -9.634 3.050 17.241 1.00 0.00 O ATOM 428 CB SER A 32 -10.116 4.712 15.148 1.00 0.00 C ATOM 429 OG SER A 32 -10.182 5.619 16.234 1.00 0.00 O ATOM 0 H SER A 32 -12.664 4.383 16.401 1.00 0.00 H new ATOM 0 HA SER A 32 -10.994 2.866 14.498 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.094 4.353 15.032 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.380 5.226 14.224 1.00 0.00 H new ATOM 0 HG SER A 32 -9.570 6.367 16.073 1.00 0.00 H new ATOM 435 N PRO A 33 -11.418 1.703 16.959 1.00 0.00 N ATOM 436 CA PRO A 33 -11.130 0.866 18.126 1.00 0.00 C ATOM 437 C PRO A 33 -9.943 -0.061 17.881 1.00 0.00 C ATOM 438 O PRO A 33 -9.420 -0.126 16.769 1.00 0.00 O ATOM 439 CB PRO A 33 -12.420 0.060 18.300 1.00 0.00 C ATOM 440 CG PRO A 33 -12.993 -0.028 16.929 1.00 0.00 C ATOM 441 CD PRO A 33 -12.636 1.264 16.248 1.00 0.00 C ATOM 0 HA PRO A 33 -10.858 1.452 19.004 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.217 -0.930 18.710 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.107 0.555 18.986 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.582 -0.881 16.388 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.074 -0.164 16.966 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.449 1.119 15.184 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.437 1.998 16.334 1.00 0.00 H new ATOM 449 N PRO A 34 -9.499 -0.800 18.915 1.00 0.00 N ATOM 450 CA PRO A 34 -8.370 -1.728 18.794 1.00 0.00 C ATOM 451 C PRO A 34 -8.513 -2.674 17.603 1.00 0.00 C ATOM 452 O PRO A 34 -7.531 -3.258 17.144 1.00 0.00 O ATOM 453 CB PRO A 34 -8.398 -2.519 20.114 1.00 0.00 C ATOM 454 CG PRO A 34 -9.700 -2.176 20.761 1.00 0.00 C ATOM 455 CD PRO A 34 -10.051 -0.802 20.276 1.00 0.00 C ATOM 0 HA PRO A 34 -7.434 -1.197 18.624 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.322 -3.591 19.930 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.559 -2.245 20.753 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.473 -2.895 20.489 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.614 -2.196 21.847 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.128 -0.633 20.278 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.605 -0.025 20.897 1.00 0.00 H new ATOM 463 N GLY A 35 -9.738 -2.824 17.104 1.00 0.00 N ATOM 464 CA GLY A 35 -9.974 -3.701 15.973 1.00 0.00 C ATOM 465 C GLY A 35 -10.429 -5.084 16.396 1.00 0.00 C ATOM 466 O GLY A 35 -10.005 -6.087 15.823 1.00 0.00 O ATOM 0 H GLY A 35 -10.569 -2.354 17.463 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.728 -3.257 15.324 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.059 -3.787 15.387 1.00 0.00 H new ATOM 470 N TYR A 36 -11.297 -5.137 17.403 1.00 0.00 N ATOM 471 CA TYR A 36 -11.811 -6.407 17.905 1.00 0.00 C ATOM 472 C TYR A 36 -10.677 -7.300 18.396 1.00 0.00 C ATOM 473 O TYR A 36 -9.880 -7.802 17.603 1.00 0.00 O ATOM 474 CB TYR A 36 -12.609 -7.127 16.816 1.00 0.00 C ATOM 475 CG TYR A 36 -13.840 -6.373 16.363 1.00 0.00 C ATOM 476 CD1 TYR A 36 -13.736 -5.117 15.778 1.00 0.00 C ATOM 477 CD2 TYR A 36 -15.108 -6.919 16.521 1.00 0.00 C ATOM 478 CE1 TYR A 36 -14.860 -4.426 15.365 1.00 0.00 C ATOM 479 CE2 TYR A 36 -16.236 -6.235 16.109 1.00 0.00 C ATOM 480 CZ TYR A 36 -16.107 -4.990 15.533 1.00 0.00 C ATOM 481 OH TYR A 36 -17.228 -4.306 15.122 1.00 0.00 O ATOM 0 H TYR A 36 -11.659 -4.315 17.887 1.00 0.00 H new ATOM 0 HA TYR A 36 -12.470 -6.194 18.747 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -11.961 -7.297 15.956 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -12.910 -8.107 17.187 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -12.761 -4.673 15.644 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -15.214 -7.894 16.973 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -14.762 -3.450 14.913 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -17.214 -6.674 16.238 1.00 0.00 H new ATOM 0 HH TYR A 36 -18.026 -4.842 15.311 1.00 0.00 H new ATOM 491 N LYS A 37 -10.611 -7.497 19.709 1.00 0.00 N ATOM 492 CA LYS A 37 -9.574 -8.331 20.306 1.00 0.00 C ATOM 493 C LYS A 37 -10.191 -9.439 21.154 1.00 0.00 C ATOM 494 O LYS A 37 -9.693 -9.760 22.233 1.00 0.00 O ATOM 495 CB LYS A 37 -8.634 -7.480 21.163 1.00 0.00 C ATOM 496 CG LYS A 37 -9.333 -6.777 22.315 1.00 0.00 C ATOM 497 CD LYS A 37 -8.356 -5.965 23.150 1.00 0.00 C ATOM 498 CE LYS A 37 -7.682 -4.882 22.323 1.00 0.00 C ATOM 499 NZ LYS A 37 -6.727 -4.078 23.135 1.00 0.00 N ATOM 0 H LYS A 37 -11.263 -7.091 20.380 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.002 -8.789 19.499 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.844 -8.116 21.562 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.154 -6.734 20.530 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.111 -6.121 21.924 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.827 -7.515 22.947 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.883 -5.509 23.988 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.599 -6.626 23.572 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.153 -5.340 21.487 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.441 -4.225 21.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.288 -3.350 22.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.236 -3.620 23.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.988 -4.701 23.520 1.00 0.00 H new ATOM 513 N LEU A 38 -11.278 -10.019 20.659 1.00 0.00 N ATOM 514 CA LEU A 38 -11.964 -11.090 21.372 1.00 0.00 C ATOM 515 C LEU A 38 -11.221 -12.412 21.202 1.00 0.00 C ATOM 516 O LEU A 38 -11.154 -13.220 22.128 1.00 0.00 O ATOM 517 CB LEU A 38 -13.407 -11.218 20.867 1.00 0.00 C ATOM 518 CG LEU A 38 -14.296 -12.198 21.641 1.00 0.00 C ATOM 519 CD1 LEU A 38 -13.842 -13.634 21.425 1.00 0.00 C ATOM 520 CD2 LEU A 38 -14.295 -11.856 23.123 1.00 0.00 C ATOM 0 H LEU A 38 -11.703 -9.766 19.767 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.983 -10.844 22.434 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.872 -10.233 20.897 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.381 -11.527 19.822 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.314 -12.106 21.262 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.490 -14.308 21.985 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.896 -13.877 20.364 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.815 -13.747 21.771 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.931 -12.561 23.659 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.278 -11.918 23.510 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.676 -10.844 23.263 1.00 0.00 H new ATOM 532 N VAL A 39 -10.666 -12.626 20.013 1.00 0.00 N ATOM 533 CA VAL A 39 -9.930 -13.852 19.725 1.00 0.00 C ATOM 534 C VAL A 39 -8.453 -13.561 19.478 1.00 0.00 C ATOM 535 O VAL A 39 -7.579 -14.140 20.123 1.00 0.00 O ATOM 536 CB VAL A 39 -10.514 -14.581 18.498 1.00 0.00 C ATOM 537 CG1 VAL A 39 -9.783 -15.894 18.250 1.00 0.00 C ATOM 538 CG2 VAL A 39 -12.006 -14.819 18.680 1.00 0.00 C ATOM 0 H VAL A 39 -10.712 -11.968 19.235 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.028 -14.495 20.600 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.372 -13.946 17.623 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.212 -16.391 17.380 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.727 -15.694 18.070 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.886 -16.538 19.123 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.402 -15.334 17.805 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -12.171 -15.431 19.567 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.515 -13.863 18.799 1.00 0.00 H new ATOM 548 N THR A 40 -8.186 -12.663 18.538 1.00 0.00 N ATOM 549 CA THR A 40 -6.816 -12.287 18.195 1.00 0.00 C ATOM 550 C THR A 40 -5.952 -13.521 17.947 1.00 0.00 C ATOM 551 O THR A 40 -4.739 -13.494 18.156 1.00 0.00 O ATOM 552 CB THR A 40 -6.201 -11.438 19.308 1.00 0.00 C ATOM 553 OG1 THR A 40 -6.163 -12.157 20.527 1.00 0.00 O ATOM 554 CG2 THR A 40 -6.949 -10.147 19.559 1.00 0.00 C ATOM 0 H THR A 40 -8.902 -12.179 17.996 1.00 0.00 H new ATOM 0 HA THR A 40 -6.851 -11.701 17.276 1.00 0.00 H new ATOM 0 HB THR A 40 -5.196 -11.196 18.963 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.313 -13.109 20.350 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.460 -9.593 20.360 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.951 -9.545 18.650 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.976 -10.372 19.847 1.00 0.00 H new ATOM 562 N GLY A 41 -6.584 -14.601 17.500 1.00 0.00 N ATOM 563 CA GLY A 41 -5.857 -15.827 17.232 1.00 0.00 C ATOM 564 C GLY A 41 -4.920 -15.699 16.048 1.00 0.00 C ATOM 565 O GLY A 41 -3.932 -16.428 15.949 1.00 0.00 O ATOM 0 H GLY A 41 -7.587 -14.649 17.319 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.284 -16.106 18.116 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.567 -16.633 17.044 1.00 0.00 H new ATOM 569 N ASP A 42 -5.229 -14.772 15.146 1.00 0.00 N ATOM 570 CA ASP A 42 -4.406 -14.553 13.963 1.00 0.00 C ATOM 571 C ASP A 42 -4.367 -15.807 13.094 1.00 0.00 C ATOM 572 O ASP A 42 -3.324 -16.168 12.549 1.00 0.00 O ATOM 573 CB ASP A 42 -2.986 -14.152 14.371 1.00 0.00 C ATOM 574 CG ASP A 42 -2.112 -13.805 13.180 1.00 0.00 C ATOM 575 OD1 ASP A 42 -2.615 -13.854 12.038 1.00 0.00 O ATOM 576 OD2 ASP A 42 -0.924 -13.483 13.390 1.00 0.00 O ATOM 0 H ASP A 42 -6.043 -14.161 15.212 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.849 -13.743 13.383 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.034 -13.296 15.044 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.527 -14.969 14.927 1.00 0.00 H new ATOM 581 N ARG A 43 -5.514 -16.468 12.972 1.00 0.00 N ATOM 582 CA ARG A 43 -5.615 -17.684 12.172 1.00 0.00 C ATOM 583 C ARG A 43 -6.493 -17.457 10.945 1.00 0.00 C ATOM 584 O ARG A 43 -6.269 -18.053 9.892 1.00 0.00 O ATOM 585 CB ARG A 43 -6.183 -18.827 13.016 1.00 0.00 C ATOM 586 CG ARG A 43 -7.566 -18.540 13.577 1.00 0.00 C ATOM 587 CD ARG A 43 -8.083 -19.704 14.407 1.00 0.00 C ATOM 588 NE ARG A 43 -7.213 -19.995 15.544 1.00 0.00 N ATOM 589 CZ ARG A 43 -7.446 -20.964 16.427 1.00 0.00 C ATOM 590 NH1 ARG A 43 -8.519 -21.737 16.306 1.00 0.00 N ATOM 591 NH2 ARG A 43 -6.605 -21.161 17.432 1.00 0.00 N ATOM 0 H ARG A 43 -6.386 -16.182 13.417 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.614 -17.952 11.835 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.227 -19.730 12.407 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.501 -19.032 13.841 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.531 -17.641 14.192 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.257 -18.340 12.759 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.086 -19.475 14.767 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.165 -20.590 13.777 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.378 -19.422 15.669 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.169 -21.590 15.534 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.693 -22.478 16.985 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.779 -20.570 17.529 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.784 -21.903 18.108 1.00 0.00 H new ATOM 605 N ASN A 44 -7.492 -16.592 11.089 1.00 0.00 N ATOM 606 CA ASN A 44 -8.403 -16.287 9.992 1.00 0.00 C ATOM 607 C ASN A 44 -7.640 -15.700 8.812 1.00 0.00 C ATOM 608 O ASN A 44 -7.600 -16.279 7.726 1.00 0.00 O ATOM 609 CB ASN A 44 -9.468 -15.286 10.446 1.00 0.00 C ATOM 610 CG ASN A 44 -10.063 -15.633 11.795 1.00 0.00 C ATOM 611 OD1 ASN A 44 -10.638 -16.706 11.979 1.00 0.00 O ATOM 612 ND2 ASN A 44 -9.925 -14.718 12.748 1.00 0.00 N ATOM 0 H ASN A 44 -7.691 -16.090 11.954 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.884 -17.216 9.685 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.027 -14.290 10.494 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.264 -15.247 9.702 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.304 -14.890 13.679 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.440 -13.843 12.549 1.00 0.00 H new ATOM 619 N ASN A 45 -7.044 -14.537 9.041 1.00 0.00 N ATOM 620 CA ASN A 45 -6.283 -13.838 8.015 1.00 0.00 C ATOM 621 C ASN A 45 -5.039 -14.627 7.621 1.00 0.00 C ATOM 622 O ASN A 45 -4.731 -14.757 6.438 1.00 0.00 O ATOM 623 CB ASN A 45 -5.889 -12.454 8.530 1.00 0.00 C ATOM 624 CG ASN A 45 -7.082 -11.690 9.070 1.00 0.00 C ATOM 625 OD1 ASN A 45 -7.982 -11.310 8.322 1.00 0.00 O ATOM 626 ND2 ASN A 45 -7.103 -11.478 10.382 1.00 0.00 N ATOM 0 H ASN A 45 -7.074 -14.054 9.939 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.907 -13.734 7.128 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.140 -12.559 9.315 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.428 -11.884 7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.887 -10.983 10.806 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.335 -11.811 10.965 1.00 0.00 H new ATOM 633 N SER A 46 -4.329 -15.142 8.628 1.00 0.00 N ATOM 634 CA SER A 46 -3.106 -15.923 8.424 1.00 0.00 C ATOM 635 C SER A 46 -1.886 -15.011 8.346 1.00 0.00 C ATOM 636 O SER A 46 -0.830 -15.328 8.892 1.00 0.00 O ATOM 637 CB SER A 46 -3.196 -16.788 7.164 1.00 0.00 C ATOM 638 OG SER A 46 -4.368 -17.585 7.173 1.00 0.00 O ATOM 0 H SER A 46 -4.586 -15.029 9.609 1.00 0.00 H new ATOM 0 HA SER A 46 -2.997 -16.585 9.283 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.194 -16.150 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.317 -17.429 7.096 1.00 0.00 H new ATOM 0 HG SER A 46 -4.402 -18.126 6.357 1.00 0.00 H new ATOM 644 N SER A 47 -2.041 -13.875 7.672 1.00 0.00 N ATOM 645 CA SER A 47 -0.956 -12.911 7.531 1.00 0.00 C ATOM 646 C SER A 47 0.312 -13.579 7.006 1.00 0.00 C ATOM 647 O SER A 47 1.424 -13.141 7.302 1.00 0.00 O ATOM 648 CB SER A 47 -0.678 -12.238 8.876 1.00 0.00 C ATOM 649 OG SER A 47 -0.159 -13.164 9.815 1.00 0.00 O ATOM 0 H SER A 47 -2.910 -13.600 7.214 1.00 0.00 H new ATOM 0 HA SER A 47 -1.264 -12.156 6.807 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.030 -11.421 8.737 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.598 -11.800 9.263 1.00 0.00 H new ATOM 0 HG SER A 47 -0.044 -14.037 9.384 1.00 0.00 H new ATOM 655 N CYS A 48 0.136 -14.640 6.225 1.00 0.00 N ATOM 656 CA CYS A 48 1.265 -15.368 5.658 1.00 0.00 C ATOM 657 C CYS A 48 1.348 -15.161 4.149 1.00 0.00 C ATOM 658 O CYS A 48 2.418 -15.282 3.553 1.00 0.00 O ATOM 659 CB CYS A 48 1.147 -16.861 5.973 1.00 0.00 C ATOM 660 SG CYS A 48 1.141 -17.244 7.739 1.00 0.00 S ATOM 0 H CYS A 48 -0.778 -15.015 5.970 1.00 0.00 H new ATOM 0 HA CYS A 48 2.177 -14.978 6.110 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.230 -17.244 5.526 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.976 -17.388 5.501 1.00 0.00 H new ATOM 0 HG CYS A 48 0.102 -16.697 8.298 1.00 0.00 H new ATOM 666 N ARG A 49 0.211 -14.851 3.535 1.00 0.00 N ATOM 667 CA ARG A 49 0.153 -14.631 2.096 1.00 0.00 C ATOM 668 C ARG A 49 -1.085 -13.823 1.724 1.00 0.00 C ATOM 669 O ARG A 49 -1.007 -12.865 0.955 1.00 0.00 O ATOM 670 CB ARG A 49 0.148 -15.972 1.361 1.00 0.00 C ATOM 671 CG ARG A 49 -1.011 -16.873 1.752 1.00 0.00 C ATOM 672 CD ARG A 49 -0.903 -18.238 1.094 1.00 0.00 C ATOM 673 NE ARG A 49 -2.024 -19.106 1.448 1.00 0.00 N ATOM 674 CZ ARG A 49 -2.156 -20.359 1.019 1.00 0.00 C ATOM 675 NH1 ARG A 49 -1.237 -20.897 0.226 1.00 0.00 N ATOM 676 NH2 ARG A 49 -3.208 -21.078 1.386 1.00 0.00 N ATOM 0 H ARG A 49 -0.684 -14.746 4.013 1.00 0.00 H new ATOM 0 HA ARG A 49 1.035 -14.065 1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.109 -15.789 0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.085 -16.491 1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.032 -16.991 2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.951 -16.403 1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.866 -18.117 0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.032 -18.712 1.394 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.748 -18.729 2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.424 -20.350 -0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.344 -21.858 -0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.916 -20.671 1.997 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.309 -22.038 1.057 1.00 0.00 H new ATOM 690 N ASN A 50 -2.227 -14.215 2.282 1.00 0.00 N ATOM 691 CA ASN A 50 -3.491 -13.529 2.021 1.00 0.00 C ATOM 692 C ASN A 50 -3.682 -13.255 0.531 1.00 0.00 C ATOM 693 O ASN A 50 -3.222 -12.237 0.014 1.00 0.00 O ATOM 694 CB ASN A 50 -3.548 -12.213 2.800 1.00 0.00 C ATOM 695 CG ASN A 50 -3.439 -12.422 4.298 1.00 0.00 C ATOM 696 OD1 ASN A 50 -2.447 -12.957 4.791 1.00 0.00 O ATOM 697 ND2 ASN A 50 -4.463 -11.997 5.030 1.00 0.00 N ATOM 0 H ASN A 50 -2.304 -15.007 2.920 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.297 -14.183 2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.740 -11.562 2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.483 -11.701 2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.447 -12.109 6.044 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.266 -11.559 4.578 1.00 0.00 H new ATOM 704 N TYR A 51 -4.368 -14.165 -0.152 1.00 0.00 N ATOM 705 CA TYR A 51 -4.624 -14.014 -1.580 1.00 0.00 C ATOM 706 C TYR A 51 -5.643 -12.908 -1.835 1.00 0.00 C ATOM 707 O TYR A 51 -6.849 -13.122 -1.714 1.00 0.00 O ATOM 708 CB TYR A 51 -5.124 -15.331 -2.176 1.00 0.00 C ATOM 709 CG TYR A 51 -4.109 -16.451 -2.118 1.00 0.00 C ATOM 710 CD1 TYR A 51 -2.880 -16.333 -2.754 1.00 0.00 C ATOM 711 CD2 TYR A 51 -4.382 -17.627 -1.430 1.00 0.00 C ATOM 712 CE1 TYR A 51 -1.951 -17.354 -2.707 1.00 0.00 C ATOM 713 CE2 TYR A 51 -3.457 -18.653 -1.377 1.00 0.00 C ATOM 714 CZ TYR A 51 -2.244 -18.512 -2.018 1.00 0.00 C ATOM 715 OH TYR A 51 -1.321 -19.531 -1.969 1.00 0.00 O ATOM 0 H TYR A 51 -4.756 -15.014 0.259 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.686 -13.740 -2.063 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.024 -15.641 -1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.408 -15.164 -3.215 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.647 -15.428 -3.294 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.332 -17.741 -0.929 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.000 -17.246 -3.207 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.683 -19.560 -0.836 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.417 -19.156 -2.019 1.00 0.00 H new ATOM 725 N ASN A 52 -5.150 -11.725 -2.187 1.00 0.00 N ATOM 726 CA ASN A 52 -6.018 -10.585 -2.459 1.00 0.00 C ATOM 727 C ASN A 52 -5.683 -9.951 -3.805 1.00 0.00 C ATOM 728 O ASN A 52 -5.224 -8.810 -3.870 1.00 0.00 O ATOM 729 CB ASN A 52 -5.885 -9.539 -1.354 1.00 0.00 C ATOM 730 CG ASN A 52 -4.472 -9.007 -1.247 1.00 0.00 C ATOM 731 OD1 ASN A 52 -3.548 -9.733 -0.877 1.00 0.00 O ATOM 732 ND2 ASN A 52 -4.294 -7.738 -1.587 1.00 0.00 N ATOM 0 H ASN A 52 -4.154 -11.531 -2.291 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.045 -10.948 -2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.570 -8.714 -1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.181 -9.978 -0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.362 -7.325 -1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.089 -7.174 -1.888 1.00 0.00 H new ATOM 739 N LYS A 53 -5.921 -10.694 -4.876 1.00 0.00 N ATOM 740 CA LYS A 53 -5.652 -10.203 -6.222 1.00 0.00 C ATOM 741 C LYS A 53 -6.857 -9.440 -6.765 1.00 0.00 C ATOM 742 O LYS A 53 -7.300 -9.674 -7.890 1.00 0.00 O ATOM 743 CB LYS A 53 -5.294 -11.358 -7.166 1.00 0.00 C ATOM 744 CG LYS A 53 -3.943 -12.007 -6.877 1.00 0.00 C ATOM 745 CD LYS A 53 -3.948 -12.858 -5.610 1.00 0.00 C ATOM 746 CE LYS A 53 -4.599 -14.219 -5.831 1.00 0.00 C ATOM 747 NZ LYS A 53 -6.058 -14.119 -6.106 1.00 0.00 N ATOM 0 H LYS A 53 -6.300 -11.640 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.800 -9.525 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.071 -12.119 -7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.295 -10.988 -8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.657 -12.629 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.185 -11.229 -6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.924 -12.999 -5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.480 -12.327 -4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.109 -14.720 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.441 -14.840 -4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.543 -14.951 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.436 -13.257 -5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.216 -14.080 -7.133 1.00 0.00 H new ATOM 761 N GLN A 54 -7.385 -8.525 -5.955 1.00 0.00 N ATOM 762 CA GLN A 54 -8.540 -7.727 -6.347 1.00 0.00 C ATOM 763 C GLN A 54 -8.195 -6.242 -6.390 1.00 0.00 C ATOM 764 O GLN A 54 -9.061 -5.389 -6.199 1.00 0.00 O ATOM 765 CB GLN A 54 -9.697 -7.964 -5.377 1.00 0.00 C ATOM 766 CG GLN A 54 -9.313 -7.785 -3.918 1.00 0.00 C ATOM 767 CD GLN A 54 -10.481 -7.998 -2.975 1.00 0.00 C ATOM 768 OE1 GLN A 54 -11.090 -9.067 -2.956 1.00 0.00 O ATOM 769 NE2 GLN A 54 -10.798 -6.978 -2.186 1.00 0.00 N ATOM 0 H GLN A 54 -7.029 -8.319 -5.022 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.839 -8.037 -7.348 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -10.508 -7.277 -5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.081 -8.974 -5.522 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.517 -8.486 -3.668 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.912 -6.782 -3.773 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.265 -6.110 -2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.574 -7.063 -1.530 1.00 0.00 H new ATOM 778 N ALA A 55 -6.927 -5.940 -6.646 1.00 0.00 N ATOM 779 CA ALA A 55 -6.474 -4.557 -6.719 1.00 0.00 C ATOM 780 C ALA A 55 -6.228 -4.145 -8.163 1.00 0.00 C ATOM 781 O ALA A 55 -5.084 -4.004 -8.596 1.00 0.00 O ATOM 782 CB ALA A 55 -5.215 -4.365 -5.886 1.00 0.00 C ATOM 0 H ALA A 55 -6.196 -6.633 -6.806 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.258 -3.918 -6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.890 -3.327 -5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.425 -4.614 -4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.426 -5.016 -6.263 1.00 0.00 H new ATOM 788 N SER A 56 -7.313 -3.961 -8.907 1.00 0.00 N ATOM 789 CA SER A 56 -7.222 -3.572 -10.309 1.00 0.00 C ATOM 790 C SER A 56 -8.609 -3.416 -10.925 1.00 0.00 C ATOM 791 O SER A 56 -8.824 -2.560 -11.784 1.00 0.00 O ATOM 792 CB SER A 56 -6.418 -4.611 -11.089 1.00 0.00 C ATOM 793 OG SER A 56 -6.407 -4.315 -12.475 1.00 0.00 O ATOM 0 H SER A 56 -8.266 -4.075 -8.562 1.00 0.00 H new ATOM 0 HA SER A 56 -6.714 -2.609 -10.363 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.395 -4.641 -10.713 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.846 -5.601 -10.929 1.00 0.00 H new ATOM 0 HG SER A 56 -5.885 -4.994 -12.950 1.00 0.00 H new ATOM 799 N GLU A 57 -9.547 -4.249 -10.481 1.00 0.00 N ATOM 800 CA GLU A 57 -10.915 -4.206 -10.987 1.00 0.00 C ATOM 801 C GLU A 57 -10.964 -4.584 -12.465 1.00 0.00 C ATOM 802 O GLU A 57 -11.274 -5.724 -12.810 1.00 0.00 O ATOM 803 CB GLU A 57 -11.521 -2.816 -10.770 1.00 0.00 C ATOM 804 CG GLU A 57 -11.625 -2.423 -9.306 1.00 0.00 C ATOM 805 CD GLU A 57 -12.498 -3.372 -8.509 1.00 0.00 C ATOM 806 OE1 GLU A 57 -13.692 -3.505 -8.848 1.00 0.00 O ATOM 807 OE2 GLU A 57 -11.987 -3.982 -7.546 1.00 0.00 O ATOM 0 H GLU A 57 -9.384 -4.963 -9.771 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.505 -4.935 -10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.914 -2.078 -11.294 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.515 -2.787 -11.217 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.627 -2.399 -8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.030 -1.414 -9.232 1.00 0.00 H new ATOM 814 N GLN A 58 -10.665 -3.623 -13.336 1.00 0.00 N ATOM 815 CA GLN A 58 -10.684 -3.861 -14.775 1.00 0.00 C ATOM 816 C GLN A 58 -12.102 -4.152 -15.239 1.00 0.00 C ATOM 817 O GLN A 58 -12.325 -4.971 -16.130 1.00 0.00 O ATOM 818 CB GLN A 58 -9.760 -5.024 -15.144 1.00 0.00 C ATOM 819 CG GLN A 58 -8.317 -4.811 -14.719 1.00 0.00 C ATOM 820 CD GLN A 58 -7.695 -3.587 -15.362 1.00 0.00 C ATOM 821 OE1 GLN A 58 -7.615 -3.487 -16.586 1.00 0.00 O ATOM 822 NE2 GLN A 58 -7.251 -2.646 -14.536 1.00 0.00 N ATOM 0 H GLN A 58 -10.407 -2.673 -13.069 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.324 -2.963 -15.277 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.136 -5.937 -14.681 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.794 -5.176 -16.223 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.273 -4.709 -13.635 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.731 -5.692 -14.981 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.338 -2.770 -13.527 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.823 -1.799 -14.910 1.00 0.00 H new ATOM 831 N ASN A 59 -13.057 -3.464 -14.626 1.00 0.00 N ATOM 832 CA ASN A 59 -14.463 -3.624 -14.965 1.00 0.00 C ATOM 833 C ASN A 59 -14.858 -2.644 -16.066 1.00 0.00 C ATOM 834 O ASN A 59 -16.004 -2.200 -16.143 1.00 0.00 O ATOM 835 CB ASN A 59 -15.323 -3.403 -13.721 1.00 0.00 C ATOM 836 CG ASN A 59 -14.991 -4.381 -12.610 1.00 0.00 C ATOM 837 OD1 ASN A 59 -15.119 -5.594 -12.777 1.00 0.00 O ATOM 838 ND2 ASN A 59 -14.560 -3.856 -11.469 1.00 0.00 N ATOM 0 H ASN A 59 -12.880 -2.785 -13.886 1.00 0.00 H new ATOM 0 HA ASN A 59 -14.626 -4.637 -15.333 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.181 -2.384 -13.360 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -16.375 -3.503 -13.987 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.320 -4.464 -10.686 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.469 -2.844 -11.375 1.00 0.00 H new ATOM 845 N TRP A 60 -13.888 -2.309 -16.910 1.00 0.00 N ATOM 846 CA TRP A 60 -14.092 -1.380 -18.012 1.00 0.00 C ATOM 847 C TRP A 60 -13.092 -1.660 -19.128 1.00 0.00 C ATOM 848 O TRP A 60 -13.468 -1.822 -20.289 1.00 0.00 O ATOM 849 CB TRP A 60 -13.942 0.062 -17.520 1.00 0.00 C ATOM 850 CG TRP A 60 -12.909 0.210 -16.443 1.00 0.00 C ATOM 851 CD1 TRP A 60 -13.005 -0.242 -15.159 1.00 0.00 C ATOM 852 CD2 TRP A 60 -11.623 0.831 -16.556 1.00 0.00 C ATOM 853 NE1 TRP A 60 -11.865 0.072 -14.461 1.00 0.00 N ATOM 854 CE2 TRP A 60 -11.001 0.728 -15.296 1.00 0.00 C ATOM 855 CE3 TRP A 60 -10.938 1.467 -17.594 1.00 0.00 C ATOM 856 CZ2 TRP A 60 -9.730 1.236 -15.049 1.00 0.00 C ATOM 857 CZ3 TRP A 60 -9.674 1.970 -17.347 1.00 0.00 C ATOM 858 CH2 TRP A 60 -9.082 1.852 -16.084 1.00 0.00 C ATOM 0 H TRP A 60 -12.938 -2.675 -16.848 1.00 0.00 H new ATOM 0 HA TRP A 60 -15.101 -1.515 -18.403 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -13.675 0.701 -18.362 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -14.903 0.414 -17.145 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -13.854 -0.770 -14.751 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.690 -0.148 -13.480 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -11.387 1.564 -18.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -9.271 1.147 -14.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -9.134 2.462 -18.142 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -8.093 2.256 -15.924 1.00 0.00 H new ATOM 869 N ALA A 61 -11.814 -1.723 -18.762 1.00 0.00 N ATOM 870 CA ALA A 61 -10.751 -1.992 -19.722 1.00 0.00 C ATOM 871 C ALA A 61 -10.779 -0.991 -20.870 1.00 0.00 C ATOM 872 O ALA A 61 -11.285 -1.286 -21.952 1.00 0.00 O ATOM 873 CB ALA A 61 -10.869 -3.411 -20.256 1.00 0.00 C ATOM 0 H ALA A 61 -11.491 -1.591 -17.804 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.797 -1.886 -19.206 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.069 -3.598 -20.972 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.790 -4.118 -19.430 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.833 -3.535 -20.749 1.00 0.00 H new ATOM 879 N ASN A 62 -10.233 0.195 -20.626 1.00 0.00 N ATOM 880 CA ASN A 62 -10.200 1.239 -21.645 1.00 0.00 C ATOM 881 C ASN A 62 -8.916 2.057 -21.567 1.00 0.00 C ATOM 882 O ASN A 62 -8.016 1.896 -22.391 1.00 0.00 O ATOM 883 CB ASN A 62 -11.408 2.163 -21.499 1.00 0.00 C ATOM 884 CG ASN A 62 -12.721 1.444 -21.737 1.00 0.00 C ATOM 885 OD1 ASN A 62 -12.958 0.899 -22.816 1.00 0.00 O ATOM 886 ND2 ASN A 62 -13.584 1.440 -20.728 1.00 0.00 N ATOM 0 H ASN A 62 -9.809 0.457 -19.736 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.233 0.749 -22.618 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.411 2.596 -20.499 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.317 2.989 -22.204 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.485 0.973 -20.829 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.346 1.904 -19.852 1.00 0.00 H new ATOM 893 N TYR A 63 -8.838 2.937 -20.574 1.00 0.00 N ATOM 894 CA TYR A 63 -7.662 3.782 -20.395 1.00 0.00 C ATOM 895 C TYR A 63 -6.644 3.127 -19.467 1.00 0.00 C ATOM 896 O TYR A 63 -5.808 3.805 -18.872 1.00 0.00 O ATOM 897 CB TYR A 63 -8.052 5.164 -19.856 1.00 0.00 C ATOM 898 CG TYR A 63 -8.770 5.140 -18.522 1.00 0.00 C ATOM 899 CD1 TYR A 63 -10.097 4.735 -18.425 1.00 0.00 C ATOM 900 CD2 TYR A 63 -8.116 5.519 -17.356 1.00 0.00 C ATOM 901 CE1 TYR A 63 -10.750 4.711 -17.208 1.00 0.00 C ATOM 902 CE2 TYR A 63 -8.763 5.498 -16.135 1.00 0.00 C ATOM 903 CZ TYR A 63 -10.079 5.093 -16.066 1.00 0.00 C ATOM 904 OH TYR A 63 -10.725 5.070 -14.851 1.00 0.00 O ATOM 0 H TYR A 63 -9.573 3.084 -19.882 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.202 3.908 -21.375 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.151 5.769 -19.758 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.690 5.659 -20.588 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.626 4.434 -19.317 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.085 5.835 -17.405 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.781 4.395 -17.151 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.240 5.798 -15.239 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.110 5.368 -14.148 1.00 0.00 H new ATOM 914 N SER A 64 -6.711 1.803 -19.360 1.00 0.00 N ATOM 915 CA SER A 64 -5.785 1.055 -18.520 1.00 0.00 C ATOM 916 C SER A 64 -4.777 0.303 -19.380 1.00 0.00 C ATOM 917 O SER A 64 -3.674 -0.011 -18.932 1.00 0.00 O ATOM 918 CB SER A 64 -6.544 0.070 -17.630 1.00 0.00 C ATOM 919 OG SER A 64 -5.654 -0.676 -16.819 1.00 0.00 O ATOM 0 H SER A 64 -7.398 1.227 -19.846 1.00 0.00 H new ATOM 0 HA SER A 64 -5.252 1.763 -17.886 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.247 0.613 -16.999 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.130 -0.608 -18.250 1.00 0.00 H new ATOM 0 HG SER A 64 -5.065 -0.064 -16.331 1.00 0.00 H new ATOM 925 N ALA A 65 -5.165 0.016 -20.621 1.00 0.00 N ATOM 926 CA ALA A 65 -4.295 -0.699 -21.546 1.00 0.00 C ATOM 927 C ALA A 65 -3.137 0.179 -22.012 1.00 0.00 C ATOM 928 O ALA A 65 -2.123 -0.326 -22.493 1.00 0.00 O ATOM 929 CB ALA A 65 -5.095 -1.196 -22.740 1.00 0.00 C ATOM 0 H ALA A 65 -6.075 0.268 -21.007 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.873 -1.555 -21.018 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.435 -1.729 -23.424 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.881 -1.869 -22.397 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.544 -0.347 -23.256 1.00 0.00 H new ATOM 935 N GLU A 66 -3.291 1.493 -21.871 1.00 0.00 N ATOM 936 CA GLU A 66 -2.253 2.431 -22.285 1.00 0.00 C ATOM 937 C GLU A 66 -1.353 2.816 -21.115 1.00 0.00 C ATOM 938 O GLU A 66 -0.232 3.284 -21.315 1.00 0.00 O ATOM 939 CB GLU A 66 -2.885 3.687 -22.890 1.00 0.00 C ATOM 940 CG GLU A 66 -3.792 3.404 -24.076 1.00 0.00 C ATOM 941 CD GLU A 66 -3.060 2.742 -25.228 1.00 0.00 C ATOM 942 OE1 GLU A 66 -2.533 1.627 -25.035 1.00 0.00 O ATOM 943 OE2 GLU A 66 -3.015 3.340 -26.323 1.00 0.00 O ATOM 0 H GLU A 66 -4.122 1.931 -21.474 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.639 1.937 -23.038 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.459 4.201 -22.119 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.093 4.367 -23.204 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.613 2.762 -23.756 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.234 4.339 -24.421 1.00 0.00 H new ATOM 950 N GLN A 67 -1.843 2.620 -19.895 1.00 0.00 N ATOM 951 CA GLN A 67 -1.067 2.955 -18.709 1.00 0.00 C ATOM 952 C GLN A 67 0.207 2.135 -18.633 1.00 0.00 C ATOM 953 O GLN A 67 1.296 2.683 -18.504 1.00 0.00 O ATOM 954 CB GLN A 67 -1.882 2.741 -17.443 1.00 0.00 C ATOM 955 CG GLN A 67 -3.106 3.636 -17.343 1.00 0.00 C ATOM 956 CD GLN A 67 -3.904 3.393 -16.077 1.00 0.00 C ATOM 957 OE1 GLN A 67 -4.391 2.288 -15.838 1.00 0.00 O ATOM 958 NE2 GLN A 67 -4.043 4.429 -15.258 1.00 0.00 N ATOM 0 H GLN A 67 -2.767 2.234 -19.703 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.802 4.009 -18.788 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.200 1.699 -17.399 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.244 2.916 -16.577 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.792 4.679 -17.376 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.746 3.468 -18.209 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.622 5.327 -15.496 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.571 4.327 -14.391 1.00 0.00 H new ATOM 967 N ASN A 68 0.071 0.820 -18.707 1.00 0.00 N ATOM 968 CA ASN A 68 1.230 -0.058 -18.642 1.00 0.00 C ATOM 969 C ASN A 68 2.271 0.367 -19.658 1.00 0.00 C ATOM 970 O ASN A 68 3.471 0.399 -19.371 1.00 0.00 O ATOM 971 CB ASN A 68 0.817 -1.506 -18.893 1.00 0.00 C ATOM 972 CG ASN A 68 -0.208 -1.998 -17.890 1.00 0.00 C ATOM 973 OD1 ASN A 68 0.045 -2.018 -16.685 1.00 0.00 O ATOM 974 ND2 ASN A 68 -1.374 -2.398 -18.384 1.00 0.00 N ATOM 0 H ASN A 68 -0.823 0.340 -18.811 1.00 0.00 H new ATOM 0 HA ASN A 68 1.661 0.016 -17.644 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.408 -1.595 -19.899 1.00 0.00 H new ATOM 0 HB3 ASN A 68 1.699 -2.145 -18.850 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.103 -2.739 -17.758 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.540 -2.364 -19.390 1.00 0.00 H new ATOM 981 N ARG A 69 1.798 0.707 -20.844 1.00 0.00 N ATOM 982 CA ARG A 69 2.676 1.144 -21.906 1.00 0.00 C ATOM 983 C ARG A 69 3.439 2.395 -21.504 1.00 0.00 C ATOM 984 O ARG A 69 4.640 2.505 -21.748 1.00 0.00 O ATOM 985 CB ARG A 69 1.878 1.410 -23.178 1.00 0.00 C ATOM 986 CG ARG A 69 1.663 0.174 -24.036 1.00 0.00 C ATOM 987 CD ARG A 69 0.975 -0.934 -23.255 1.00 0.00 C ATOM 988 NE ARG A 69 0.747 -2.123 -24.073 1.00 0.00 N ATOM 989 CZ ARG A 69 -0.080 -2.162 -25.116 1.00 0.00 C ATOM 990 NH1 ARG A 69 -0.798 -1.094 -25.443 1.00 0.00 N ATOM 991 NH2 ARG A 69 -0.200 -3.276 -25.825 1.00 0.00 N ATOM 0 H ARG A 69 0.809 0.688 -21.092 1.00 0.00 H new ATOM 0 HA ARG A 69 3.396 0.348 -22.095 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.908 1.826 -22.907 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.395 2.166 -23.769 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.061 0.434 -24.907 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.623 -0.184 -24.408 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.584 -1.200 -22.391 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.022 -0.569 -22.873 1.00 0.00 H new ATOM 0 HE ARG A 69 1.252 -2.975 -23.830 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.718 -0.238 -24.894 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.430 -1.130 -26.243 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.341 -4.103 -25.571 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.833 -3.306 -26.624 1.00 0.00 H new ATOM 1005 N MET A 70 2.738 3.338 -20.889 1.00 0.00 N ATOM 1006 CA MET A 70 3.377 4.580 -20.463 1.00 0.00 C ATOM 1007 C MET A 70 4.226 4.358 -19.224 1.00 0.00 C ATOM 1008 O MET A 70 5.221 5.052 -19.010 1.00 0.00 O ATOM 1009 CB MET A 70 2.346 5.681 -20.227 1.00 0.00 C ATOM 1010 CG MET A 70 1.254 5.300 -19.245 1.00 0.00 C ATOM 1011 SD MET A 70 0.088 6.642 -18.947 1.00 0.00 S ATOM 1012 CE MET A 70 1.181 7.903 -18.298 1.00 0.00 C ATOM 0 H MET A 70 1.743 3.272 -20.676 1.00 0.00 H new ATOM 0 HA MET A 70 4.034 4.907 -21.269 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.857 6.571 -19.860 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.888 5.947 -21.180 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.714 4.433 -19.626 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.708 5.002 -18.300 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.603 8.621 -17.716 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.933 7.439 -17.660 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.673 8.418 -19.123 1.00 0.00 H new ATOM 1022 N GLY A 71 3.855 3.367 -18.428 1.00 0.00 N ATOM 1023 CA GLY A 71 4.625 3.054 -17.247 1.00 0.00 C ATOM 1024 C GLY A 71 6.024 2.639 -17.634 1.00 0.00 C ATOM 1025 O GLY A 71 7.011 3.143 -17.097 1.00 0.00 O ATOM 0 H GLY A 71 3.037 2.777 -18.579 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.664 3.922 -16.588 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.141 2.252 -16.690 1.00 0.00 H new ATOM 1029 N GLN A 72 6.097 1.744 -18.612 1.00 0.00 N ATOM 1030 CA GLN A 72 7.371 1.279 -19.133 1.00 0.00 C ATOM 1031 C GLN A 72 7.981 2.363 -20.006 1.00 0.00 C ATOM 1032 O GLN A 72 9.032 2.922 -19.694 1.00 0.00 O ATOM 1033 CB GLN A 72 7.171 0.009 -19.956 1.00 0.00 C ATOM 1034 CG GLN A 72 6.864 -1.222 -19.119 1.00 0.00 C ATOM 1035 CD GLN A 72 6.669 -2.467 -19.963 1.00 0.00 C ATOM 1036 OE1 GLN A 72 5.787 -2.518 -20.820 1.00 0.00 O ATOM 1037 NE2 GLN A 72 7.493 -3.480 -19.721 1.00 0.00 N ATOM 0 H GLN A 72 5.282 1.325 -19.061 1.00 0.00 H new ATOM 0 HA GLN A 72 8.039 1.057 -18.301 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.356 0.169 -20.662 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.070 -0.177 -20.544 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.678 -1.389 -18.414 1.00 0.00 H new ATOM 0 HG3 GLN A 72 5.964 -1.042 -18.531 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.210 -3.393 -19.001 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.409 -4.345 -20.256 1.00 0.00 H new ATOM 1046 N ALA A 73 7.289 2.657 -21.100 1.00 0.00 N ATOM 1047 CA ALA A 73 7.714 3.683 -22.049 1.00 0.00 C ATOM 1048 C ALA A 73 8.225 4.934 -21.336 1.00 0.00 C ATOM 1049 O ALA A 73 9.109 5.628 -21.837 1.00 0.00 O ATOM 1050 CB ALA A 73 6.556 4.046 -22.970 1.00 0.00 C ATOM 0 H ALA A 73 6.418 2.192 -21.356 1.00 0.00 H new ATOM 0 HA ALA A 73 8.537 3.276 -22.637 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.879 4.812 -23.676 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.235 3.160 -23.518 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.725 4.427 -22.377 1.00 0.00 H new ATOM 1056 N GLY A 74 7.657 5.218 -20.168 1.00 0.00 N ATOM 1057 CA GLY A 74 8.063 6.388 -19.412 1.00 0.00 C ATOM 1058 C GLY A 74 9.148 6.087 -18.397 1.00 0.00 C ATOM 1059 O GLY A 74 9.964 6.952 -18.079 1.00 0.00 O ATOM 0 H GLY A 74 6.923 4.659 -19.732 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.419 7.154 -20.101 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.195 6.801 -18.897 1.00 0.00 H new ATOM 1063 N SER A 75 9.158 4.861 -17.884 1.00 0.00 N ATOM 1064 CA SER A 75 10.154 4.458 -16.895 1.00 0.00 C ATOM 1065 C SER A 75 11.497 4.162 -17.556 1.00 0.00 C ATOM 1066 O SER A 75 12.548 4.282 -16.927 1.00 0.00 O ATOM 1067 CB SER A 75 9.671 3.229 -16.123 1.00 0.00 C ATOM 1068 OG SER A 75 9.470 2.128 -16.992 1.00 0.00 O ATOM 0 H SER A 75 8.491 4.131 -18.135 1.00 0.00 H new ATOM 0 HA SER A 75 10.289 5.286 -16.200 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.402 2.965 -15.359 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.740 3.463 -15.606 1.00 0.00 H new ATOM 0 HG SER A 75 9.483 2.438 -17.921 1.00 0.00 H new ATOM 1074 N THR A 76 11.455 3.775 -18.825 1.00 0.00 N ATOM 1075 CA THR A 76 12.668 3.460 -19.570 1.00 0.00 C ATOM 1076 C THR A 76 13.581 4.677 -19.668 1.00 0.00 C ATOM 1077 O THR A 76 14.805 4.548 -19.682 1.00 0.00 O ATOM 1078 CB THR A 76 12.312 2.961 -20.970 1.00 0.00 C ATOM 1079 OG1 THR A 76 11.580 3.944 -21.682 1.00 0.00 O ATOM 1080 CG2 THR A 76 11.487 1.692 -20.962 1.00 0.00 C ATOM 0 H THR A 76 10.593 3.672 -19.360 1.00 0.00 H new ATOM 0 HA THR A 76 13.200 2.674 -19.034 1.00 0.00 H new ATOM 0 HB THR A 76 13.267 2.752 -21.453 1.00 0.00 H new ATOM 0 HG1 THR A 76 11.363 3.606 -22.576 1.00 0.00 H new ATOM 0 HG21 THR A 76 11.269 1.393 -21.987 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.044 0.899 -20.463 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.552 1.869 -20.430 1.00 0.00 H new ATOM 1088 N ILE A 77 12.977 5.857 -19.738 1.00 0.00 N ATOM 1089 CA ILE A 77 13.735 7.098 -19.838 1.00 0.00 C ATOM 1090 C ILE A 77 14.647 7.082 -21.061 1.00 0.00 C ATOM 1091 O ILE A 77 15.697 6.440 -21.055 1.00 0.00 O ATOM 1092 CB ILE A 77 14.586 7.338 -18.573 1.00 0.00 C ATOM 1093 CG1 ILE A 77 13.697 7.357 -17.329 1.00 0.00 C ATOM 1094 CG2 ILE A 77 15.363 8.642 -18.691 1.00 0.00 C ATOM 1095 CD1 ILE A 77 12.665 8.463 -17.339 1.00 0.00 C ATOM 0 H ILE A 77 11.965 5.981 -19.727 1.00 0.00 H new ATOM 0 HA ILE A 77 13.013 7.909 -19.937 1.00 0.00 H new ATOM 0 HB ILE A 77 15.300 6.520 -18.477 1.00 0.00 H new ATOM 0 HG12 ILE A 77 13.188 6.397 -17.242 1.00 0.00 H new ATOM 0 HG13 ILE A 77 14.326 7.466 -16.445 1.00 0.00 H new ATOM 0 HG21 ILE A 77 15.957 8.794 -17.790 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.023 8.595 -19.557 1.00 0.00 H new ATOM 0 HG23 ILE A 77 14.666 9.471 -18.810 1.00 0.00 H new ATOM 0 HD11 ILE A 77 12.071 8.415 -16.426 1.00 0.00 H new ATOM 0 HD12 ILE A 77 13.167 9.429 -17.395 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.012 8.343 -18.203 1.00 0.00 H new ATOM 1107 N SER A 78 14.238 7.789 -22.110 1.00 0.00 N ATOM 1108 CA SER A 78 15.022 7.850 -23.338 1.00 0.00 C ATOM 1109 C SER A 78 14.580 9.013 -24.217 1.00 0.00 C ATOM 1110 O SER A 78 15.407 9.724 -24.787 1.00 0.00 O ATOM 1111 CB SER A 78 14.898 6.535 -24.111 1.00 0.00 C ATOM 1112 OG SER A 78 15.367 5.443 -23.339 1.00 0.00 O ATOM 0 H SER A 78 13.371 8.326 -22.134 1.00 0.00 H new ATOM 0 HA SER A 78 16.065 8.008 -23.063 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.857 6.369 -24.387 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.467 6.600 -25.038 1.00 0.00 H new ATOM 0 HG SER A 78 15.878 5.779 -22.573 1.00 0.00 H new ATOM 1118 N ASN A 79 13.271 9.198 -24.325 1.00 0.00 N ATOM 1119 CA ASN A 79 12.714 10.273 -25.139 1.00 0.00 C ATOM 1120 C ASN A 79 13.257 11.628 -24.697 1.00 0.00 C ATOM 1121 O ASN A 79 13.787 12.386 -25.507 1.00 0.00 O ATOM 1122 CB ASN A 79 11.187 10.270 -25.052 1.00 0.00 C ATOM 1123 CG ASN A 79 10.559 11.304 -25.964 1.00 0.00 C ATOM 1124 OD1 ASN A 79 10.858 12.494 -25.869 1.00 0.00 O ATOM 1125 ND2 ASN A 79 9.682 10.854 -26.854 1.00 0.00 N ATOM 0 H ASN A 79 12.574 8.618 -23.859 1.00 0.00 H new ATOM 0 HA ASN A 79 13.012 10.102 -26.173 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.812 9.281 -25.315 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.883 10.463 -24.023 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.226 11.504 -27.494 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.464 9.858 -26.897 1.00 0.00 H new ATOM 1132 N SER A 80 13.111 11.918 -23.408 1.00 0.00 N ATOM 1133 CA SER A 80 13.576 13.177 -22.827 1.00 0.00 C ATOM 1134 C SER A 80 12.767 14.347 -23.367 1.00 0.00 C ATOM 1135 O SER A 80 13.319 15.358 -23.802 1.00 0.00 O ATOM 1136 CB SER A 80 15.070 13.394 -23.094 1.00 0.00 C ATOM 1137 OG SER A 80 15.324 13.662 -24.461 1.00 0.00 O ATOM 0 H SER A 80 12.669 11.290 -22.737 1.00 0.00 H new ATOM 0 HA SER A 80 13.431 13.119 -21.748 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.431 14.224 -22.487 1.00 0.00 H new ATOM 0 HB3 SER A 80 15.627 12.509 -22.787 1.00 0.00 H new ATOM 0 HG SER A 80 14.499 13.545 -24.976 1.00 0.00 H new ATOM 1143 N HIS A 81 11.450 14.196 -23.328 1.00 0.00 N ATOM 1144 CA HIS A 81 10.541 15.227 -23.803 1.00 0.00 C ATOM 1145 C HIS A 81 10.210 16.214 -22.687 1.00 0.00 C ATOM 1146 O HIS A 81 9.041 16.453 -22.381 1.00 0.00 O ATOM 1147 CB HIS A 81 9.259 14.584 -24.332 1.00 0.00 C ATOM 1148 CG HIS A 81 8.635 13.631 -23.363 1.00 0.00 C ATOM 1149 ND1 HIS A 81 8.267 13.992 -22.085 1.00 0.00 N ATOM 1150 CD2 HIS A 81 8.322 12.319 -23.486 1.00 0.00 C ATOM 1151 CE1 HIS A 81 7.758 12.945 -21.463 1.00 0.00 C ATOM 1152 NE2 HIS A 81 7.779 11.917 -22.291 1.00 0.00 N ATOM 0 H HIS A 81 10.986 13.362 -22.969 1.00 0.00 H new ATOM 0 HA HIS A 81 11.029 15.774 -24.610 1.00 0.00 H new ATOM 0 HB2 HIS A 81 8.541 15.367 -24.575 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.481 14.056 -25.259 1.00 0.00 H new ATOM 0 HD1 HIS A 81 8.372 14.923 -21.682 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.472 11.704 -24.361 1.00 0.00 H new ATOM 0 HE1 HIS A 81 7.387 12.932 -20.449 1.00 0.00 H new ATOM 1161 N ALA A 82 11.246 16.783 -22.082 1.00 0.00 N ATOM 1162 CA ALA A 82 11.067 17.743 -20.999 1.00 0.00 C ATOM 1163 C ALA A 82 10.693 19.119 -21.539 1.00 0.00 C ATOM 1164 O ALA A 82 11.384 20.108 -21.293 1.00 0.00 O ATOM 1165 CB ALA A 82 12.331 17.824 -20.155 1.00 0.00 C ATOM 0 H ALA A 82 12.219 16.596 -22.323 1.00 0.00 H new ATOM 0 HA ALA A 82 10.246 17.398 -20.370 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.185 18.544 -19.350 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.549 16.844 -19.731 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.166 18.142 -20.780 1.00 0.00 H new ATOM 1171 N GLN A 83 9.589 19.173 -22.275 1.00 0.00 N ATOM 1172 CA GLN A 83 9.112 20.425 -22.851 1.00 0.00 C ATOM 1173 C GLN A 83 7.831 20.894 -22.159 1.00 0.00 C ATOM 1174 O GLN A 83 7.740 22.047 -21.736 1.00 0.00 O ATOM 1175 CB GLN A 83 8.882 20.277 -24.358 1.00 0.00 C ATOM 1176 CG GLN A 83 10.132 19.878 -25.125 1.00 0.00 C ATOM 1177 CD GLN A 83 9.882 19.742 -26.615 1.00 0.00 C ATOM 1178 OE1 GLN A 83 9.063 18.932 -27.047 1.00 0.00 O ATOM 1179 NE2 GLN A 83 10.591 20.536 -27.408 1.00 0.00 N ATOM 0 H GLN A 83 9.006 18.363 -22.487 1.00 0.00 H new ATOM 0 HA GLN A 83 9.881 21.180 -22.692 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.107 19.530 -24.528 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.507 21.220 -24.755 1.00 0.00 H new ATOM 0 HG2 GLN A 83 10.910 20.623 -24.957 1.00 0.00 H new ATOM 0 HG3 GLN A 83 10.507 18.932 -24.735 1.00 0.00 H new ATOM 0 HE21 GLN A 83 11.259 21.193 -27.006 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.467 20.489 -28.419 1.00 0.00 H new ATOM 1188 N PRO A 84 6.820 20.012 -22.020 1.00 0.00 N ATOM 1189 CA PRO A 84 5.560 20.364 -21.362 1.00 0.00 C ATOM 1190 C PRO A 84 5.759 20.630 -19.876 1.00 0.00 C ATOM 1191 O PRO A 84 5.046 21.434 -19.275 1.00 0.00 O ATOM 1192 CB PRO A 84 4.671 19.127 -21.567 1.00 0.00 C ATOM 1193 CG PRO A 84 5.354 18.318 -22.617 1.00 0.00 C ATOM 1194 CD PRO A 84 6.817 18.613 -22.472 1.00 0.00 C ATOM 0 HA PRO A 84 5.128 21.276 -21.774 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.566 18.561 -20.641 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.667 19.412 -21.882 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.154 17.255 -22.483 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.997 18.587 -23.611 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.294 17.952 -21.748 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.350 18.491 -23.415 1.00 0.00 H new ATOM 1202 N PHE A 85 6.739 19.948 -19.291 1.00 0.00 N ATOM 1203 CA PHE A 85 7.044 20.108 -17.875 1.00 0.00 C ATOM 1204 C PHE A 85 8.478 20.582 -17.684 1.00 0.00 C ATOM 1205 O PHE A 85 8.767 21.372 -16.785 1.00 0.00 O ATOM 1206 CB PHE A 85 6.828 18.789 -17.130 1.00 0.00 C ATOM 1207 CG PHE A 85 5.411 18.293 -17.182 1.00 0.00 C ATOM 1208 CD1 PHE A 85 4.377 19.058 -16.667 1.00 0.00 C ATOM 1209 CD2 PHE A 85 5.114 17.063 -17.745 1.00 0.00 C ATOM 1210 CE1 PHE A 85 3.072 18.605 -16.714 1.00 0.00 C ATOM 1211 CE2 PHE A 85 3.811 16.604 -17.794 1.00 0.00 C ATOM 1212 CZ PHE A 85 2.789 17.376 -17.278 1.00 0.00 C ATOM 0 H PHE A 85 7.336 19.279 -19.777 1.00 0.00 H new ATOM 0 HA PHE A 85 6.370 20.860 -17.466 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.485 18.030 -17.554 1.00 0.00 H new ATOM 0 HB3 PHE A 85 7.121 18.918 -16.088 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.593 20.019 -16.224 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.910 16.455 -18.150 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.274 19.211 -16.310 1.00 0.00 H new ATOM 0 HE2 PHE A 85 3.593 15.643 -18.235 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.770 17.020 -17.315 1.00 0.00 H new ATOM 1222 N ASP A 86 9.377 20.091 -18.533 1.00 0.00 N ATOM 1223 CA ASP A 86 10.785 20.463 -18.455 1.00 0.00 C ATOM 1224 C ASP A 86 11.298 20.329 -17.023 1.00 0.00 C ATOM 1225 O ASP A 86 11.986 21.210 -16.509 1.00 0.00 O ATOM 1226 CB ASP A 86 10.981 21.894 -18.961 1.00 0.00 C ATOM 1227 CG ASP A 86 12.436 22.327 -18.945 1.00 0.00 C ATOM 1228 OD1 ASP A 86 13.298 21.502 -18.575 1.00 0.00 O ATOM 1229 OD2 ASP A 86 12.712 23.490 -19.307 1.00 0.00 O ATOM 0 H ASP A 86 9.155 19.435 -19.282 1.00 0.00 H new ATOM 0 HA ASP A 86 11.358 19.786 -19.088 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.594 21.972 -19.977 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.396 22.576 -18.344 1.00 0.00 H new ATOM 1234 N PHE A 87 10.944 19.218 -16.385 1.00 0.00 N ATOM 1235 CA PHE A 87 11.355 18.960 -15.009 1.00 0.00 C ATOM 1236 C PHE A 87 12.182 17.678 -14.903 1.00 0.00 C ATOM 1237 O PHE A 87 11.868 16.791 -14.109 1.00 0.00 O ATOM 1238 CB PHE A 87 10.125 18.881 -14.093 1.00 0.00 C ATOM 1239 CG PHE A 87 9.134 17.791 -14.434 1.00 0.00 C ATOM 1240 CD1 PHE A 87 9.375 16.871 -15.448 1.00 0.00 C ATOM 1241 CD2 PHE A 87 7.949 17.690 -13.721 1.00 0.00 C ATOM 1242 CE1 PHE A 87 8.455 15.881 -15.740 1.00 0.00 C ATOM 1243 CE2 PHE A 87 7.027 16.702 -14.010 1.00 0.00 C ATOM 1244 CZ PHE A 87 7.281 15.797 -15.020 1.00 0.00 C ATOM 0 H PHE A 87 10.373 18.481 -16.799 1.00 0.00 H new ATOM 0 HA PHE A 87 11.985 19.789 -14.687 1.00 0.00 H new ATOM 0 HB2 PHE A 87 10.465 18.733 -13.068 1.00 0.00 H new ATOM 0 HB3 PHE A 87 9.609 19.841 -14.122 1.00 0.00 H new ATOM 0 HD1 PHE A 87 10.292 16.930 -16.015 1.00 0.00 H new ATOM 0 HD2 PHE A 87 7.744 18.394 -12.928 1.00 0.00 H new ATOM 0 HE1 PHE A 87 8.655 15.174 -16.531 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.108 16.638 -13.446 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.562 15.024 -15.247 1.00 0.00 H new ATOM 1254 N PRO A 88 13.253 17.563 -15.708 1.00 0.00 N ATOM 1255 CA PRO A 88 14.123 16.382 -15.701 1.00 0.00 C ATOM 1256 C PRO A 88 14.981 16.297 -14.443 1.00 0.00 C ATOM 1257 O PRO A 88 15.405 15.213 -14.042 1.00 0.00 O ATOM 1258 CB PRO A 88 15.004 16.585 -16.935 1.00 0.00 C ATOM 1259 CG PRO A 88 15.044 18.061 -17.128 1.00 0.00 C ATOM 1260 CD PRO A 88 13.701 18.573 -16.687 1.00 0.00 C ATOM 0 HA PRO A 88 13.550 15.455 -15.715 1.00 0.00 H new ATOM 0 HB2 PRO A 88 16.003 16.178 -16.780 1.00 0.00 H new ATOM 0 HB3 PRO A 88 14.587 16.082 -17.807 1.00 0.00 H new ATOM 0 HG2 PRO A 88 15.845 18.510 -16.540 1.00 0.00 H new ATOM 0 HG3 PRO A 88 15.234 18.313 -18.171 1.00 0.00 H new ATOM 0 HD2 PRO A 88 13.777 19.563 -16.237 1.00 0.00 H new ATOM 0 HD3 PRO A 88 13.008 18.656 -17.524 1.00 0.00 H new ATOM 1268 N ASP A 89 15.236 17.446 -13.825 1.00 0.00 N ATOM 1269 CA ASP A 89 16.046 17.498 -12.614 1.00 0.00 C ATOM 1270 C ASP A 89 15.167 17.522 -11.367 1.00 0.00 C ATOM 1271 O ASP A 89 15.496 18.175 -10.377 1.00 0.00 O ATOM 1272 CB ASP A 89 16.954 18.729 -12.636 1.00 0.00 C ATOM 1273 CG ASP A 89 16.171 20.024 -12.722 1.00 0.00 C ATOM 1274 OD1 ASP A 89 15.361 20.290 -11.809 1.00 0.00 O ATOM 1275 OD2 ASP A 89 16.367 20.773 -13.702 1.00 0.00 O ATOM 0 H ASP A 89 14.894 18.353 -14.143 1.00 0.00 H new ATOM 0 HA ASP A 89 16.662 16.599 -12.582 1.00 0.00 H new ATOM 0 HB2 ASP A 89 17.570 18.739 -11.737 1.00 0.00 H new ATOM 0 HB3 ASP A 89 17.633 18.661 -13.486 1.00 0.00 H new ATOM 1280 N ASP A 90 14.050 16.805 -11.422 1.00 0.00 N ATOM 1281 CA ASP A 90 13.125 16.742 -10.296 1.00 0.00 C ATOM 1282 C ASP A 90 12.806 15.295 -9.935 1.00 0.00 C ATOM 1283 O ASP A 90 11.701 14.810 -10.180 1.00 0.00 O ATOM 1284 CB ASP A 90 11.835 17.498 -10.624 1.00 0.00 C ATOM 1285 CG ASP A 90 12.077 18.970 -10.900 1.00 0.00 C ATOM 1286 OD1 ASP A 90 13.247 19.402 -10.840 1.00 0.00 O ATOM 1287 OD2 ASP A 90 11.095 19.691 -11.176 1.00 0.00 O ATOM 0 H ASP A 90 13.763 16.259 -12.234 1.00 0.00 H new ATOM 0 HA ASP A 90 13.603 17.214 -9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.362 17.042 -11.494 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.138 17.398 -9.792 1.00 0.00 H new ATOM 1292 N ASN A 91 13.784 14.609 -9.352 1.00 0.00 N ATOM 1293 CA ASN A 91 13.610 13.216 -8.956 1.00 0.00 C ATOM 1294 C ASN A 91 14.469 12.885 -7.739 1.00 0.00 C ATOM 1295 O ASN A 91 13.998 12.265 -6.786 1.00 0.00 O ATOM 1296 CB ASN A 91 13.968 12.286 -10.116 1.00 0.00 C ATOM 1297 CG ASN A 91 15.404 12.454 -10.571 1.00 0.00 C ATOM 1298 OD1 ASN A 91 15.813 13.538 -10.987 1.00 0.00 O ATOM 1299 ND2 ASN A 91 16.179 11.378 -10.495 1.00 0.00 N ATOM 0 H ASN A 91 14.705 14.995 -9.143 1.00 0.00 H new ATOM 0 HA ASN A 91 12.563 13.068 -8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 91 13.805 11.252 -9.812 1.00 0.00 H new ATOM 0 HB3 ASN A 91 13.299 12.481 -10.954 1.00 0.00 H new ATOM 0 HD21 ASN A 91 17.155 11.431 -10.788 1.00 0.00 H new ATOM 0 HD22 ASN A 91 15.799 10.499 -10.144 1.00 0.00 H new ATOM 1306 N GLN A 92 15.730 13.303 -7.779 1.00 0.00 N ATOM 1307 CA GLN A 92 16.653 13.050 -6.679 1.00 0.00 C ATOM 1308 C GLN A 92 16.168 13.719 -5.397 1.00 0.00 C ATOM 1309 O GLN A 92 16.217 13.129 -4.318 1.00 0.00 O ATOM 1310 CB GLN A 92 18.054 13.552 -7.033 1.00 0.00 C ATOM 1311 CG GLN A 92 18.643 12.891 -8.268 1.00 0.00 C ATOM 1312 CD GLN A 92 20.030 13.407 -8.600 1.00 0.00 C ATOM 1313 OE1 GLN A 92 20.956 13.294 -7.797 1.00 0.00 O ATOM 1314 NE2 GLN A 92 20.179 13.978 -9.790 1.00 0.00 N ATOM 0 H GLN A 92 16.136 13.818 -8.561 1.00 0.00 H new ATOM 0 HA GLN A 92 16.693 11.974 -6.513 1.00 0.00 H new ATOM 0 HB2 GLN A 92 18.015 14.630 -7.191 1.00 0.00 H new ATOM 0 HB3 GLN A 92 18.718 13.378 -6.186 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.688 11.813 -8.112 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.982 13.063 -9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 92 19.383 14.050 -10.424 1.00 0.00 H new ATOM 0 HE22 GLN A 92 21.089 14.344 -10.070 1.00 0.00 H new ATOM 1323 N ASN A 93 15.696 14.953 -5.525 1.00 0.00 N ATOM 1324 CA ASN A 93 15.197 15.699 -4.376 1.00 0.00 C ATOM 1325 C ASN A 93 13.869 15.123 -3.892 1.00 0.00 C ATOM 1326 O ASN A 93 13.492 15.297 -2.733 1.00 0.00 O ATOM 1327 CB ASN A 93 15.027 17.176 -4.733 1.00 0.00 C ATOM 1328 CG ASN A 93 14.055 17.386 -5.876 1.00 0.00 C ATOM 1329 OD1 ASN A 93 12.883 17.021 -5.785 1.00 0.00 O ATOM 1330 ND2 ASN A 93 14.539 17.977 -6.961 1.00 0.00 N ATOM 0 H ASN A 93 15.648 15.457 -6.410 1.00 0.00 H new ATOM 0 HA ASN A 93 15.927 15.611 -3.571 1.00 0.00 H new ATOM 0 HB2 ASN A 93 14.676 17.721 -3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 93 15.996 17.596 -5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 93 13.932 18.145 -7.764 1.00 0.00 H new ATOM 0 HD22 ASN A 93 15.518 18.263 -6.992 1.00 0.00 H new ATOM 1337 N ALA A 94 13.164 14.437 -4.788 1.00 0.00 N ATOM 1338 CA ALA A 94 11.880 13.837 -4.452 1.00 0.00 C ATOM 1339 C ALA A 94 12.063 12.496 -3.750 1.00 0.00 C ATOM 1340 O ALA A 94 11.274 12.129 -2.879 1.00 0.00 O ATOM 1341 CB ALA A 94 11.035 13.667 -5.705 1.00 0.00 C ATOM 0 H ALA A 94 13.462 14.284 -5.751 1.00 0.00 H new ATOM 0 HA ALA A 94 11.364 14.507 -3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.078 13.218 -5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.864 14.641 -6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.557 13.020 -6.411 1.00 0.00 H new ATOM 1347 N LYS A 95 13.106 11.764 -4.132 1.00 0.00 N ATOM 1348 CA LYS A 95 13.380 10.463 -3.532 1.00 0.00 C ATOM 1349 C LYS A 95 14.034 10.621 -2.165 1.00 0.00 C ATOM 1350 O LYS A 95 13.681 9.928 -1.212 1.00 0.00 O ATOM 1351 CB LYS A 95 14.280 9.626 -4.442 1.00 0.00 C ATOM 1352 CG LYS A 95 15.678 10.196 -4.620 1.00 0.00 C ATOM 1353 CD LYS A 95 16.526 9.317 -5.525 1.00 0.00 C ATOM 1354 CE LYS A 95 17.980 9.763 -5.540 1.00 0.00 C ATOM 1355 NZ LYS A 95 18.596 9.700 -4.186 1.00 0.00 N ATOM 0 H LYS A 95 13.772 12.048 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 95 12.427 9.948 -3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.358 8.619 -4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.808 9.536 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 95 15.612 11.199 -5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.160 10.291 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.466 8.282 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.126 9.345 -6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 95 18.546 9.132 -6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 95 18.043 10.783 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.858 10.658 -3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.914 9.295 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.447 9.103 -4.219 1.00 0.00 H new ATOM 1369 N LYS A 96 14.987 11.543 -2.073 1.00 0.00 N ATOM 1370 CA LYS A 96 15.685 11.794 -0.818 1.00 0.00 C ATOM 1371 C LYS A 96 14.744 12.389 0.231 1.00 0.00 C ATOM 1372 O LYS A 96 15.117 12.536 1.395 1.00 0.00 O ATOM 1373 CB LYS A 96 16.870 12.734 -1.048 1.00 0.00 C ATOM 1374 CG LYS A 96 17.926 12.162 -1.980 1.00 0.00 C ATOM 1375 CD LYS A 96 19.068 13.143 -2.198 1.00 0.00 C ATOM 1376 CE LYS A 96 19.767 13.483 -0.892 1.00 0.00 C ATOM 1377 NZ LYS A 96 20.330 12.273 -0.231 1.00 0.00 N ATOM 0 H LYS A 96 15.293 12.127 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 96 16.052 10.838 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.503 13.674 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.331 12.966 -0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 96 18.317 11.234 -1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.471 11.913 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 96 19.788 12.716 -2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 96 18.683 14.055 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 96 20.568 14.197 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 96 19.061 13.969 -0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 20.953 12.562 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 19.555 11.689 0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 20.876 11.722 -0.923 1.00 0.00 H new ATOM 1391 N VAL A 97 13.525 12.731 -0.184 1.00 0.00 N ATOM 1392 CA VAL A 97 12.545 13.308 0.729 1.00 0.00 C ATOM 1393 C VAL A 97 11.291 12.441 0.812 1.00 0.00 C ATOM 1394 O VAL A 97 10.731 12.247 1.890 1.00 0.00 O ATOM 1395 CB VAL A 97 12.145 14.732 0.294 1.00 0.00 C ATOM 1396 CG1 VAL A 97 11.185 15.356 1.299 1.00 0.00 C ATOM 1397 CG2 VAL A 97 13.381 15.602 0.115 1.00 0.00 C ATOM 0 H VAL A 97 13.195 12.618 -1.143 1.00 0.00 H new ATOM 0 HA VAL A 97 13.015 13.354 1.711 1.00 0.00 H new ATOM 0 HB VAL A 97 11.631 14.665 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.917 16.360 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.285 14.745 1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.665 15.410 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.080 16.603 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.925 15.660 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 97 14.025 15.167 -0.649 1.00 0.00 H new ATOM 1407 N ALA A 98 10.854 11.925 -0.332 1.00 0.00 N ATOM 1408 CA ALA A 98 9.664 11.083 -0.385 1.00 0.00 C ATOM 1409 C ALA A 98 10.015 9.614 -0.169 1.00 0.00 C ATOM 1410 O ALA A 98 9.251 8.867 0.442 1.00 0.00 O ATOM 1411 CB ALA A 98 8.949 11.266 -1.715 1.00 0.00 C ATOM 0 H ALA A 98 11.305 12.075 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 98 8.998 11.390 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.063 10.632 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.653 12.309 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.618 10.988 -2.529 1.00 0.00 H new ATOM 1417 N ALA A 99 11.174 9.206 -0.675 1.00 0.00 N ATOM 1418 CA ALA A 99 11.625 7.830 -0.538 1.00 0.00 C ATOM 1419 C ALA A 99 12.270 7.602 0.825 1.00 0.00 C ATOM 1420 O ALA A 99 13.444 7.242 0.917 1.00 0.00 O ATOM 1421 CB ALA A 99 12.595 7.476 -1.655 1.00 0.00 C ATOM 0 H ALA A 99 11.818 9.812 -1.184 1.00 0.00 H new ATOM 0 HA ALA A 99 10.756 7.177 -0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 99 12.923 6.443 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 99 12.099 7.592 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 99 13.459 8.139 -1.610 1.00 0.00 H new ATOM 1427 N GLY A 100 11.494 7.818 1.880 1.00 0.00 N ATOM 1428 CA GLY A 100 12.002 7.636 3.226 1.00 0.00 C ATOM 1429 C GLY A 100 11.157 8.350 4.263 1.00 0.00 C ATOM 1430 O GLY A 100 11.110 7.942 5.423 1.00 0.00 O ATOM 0 H GLY A 100 10.520 8.117 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.035 6.572 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.026 8.006 3.278 1.00 0.00 H new ATOM 1434 N HIS A 101 10.485 9.418 3.843 1.00 0.00 N ATOM 1435 CA HIS A 101 9.635 10.188 4.746 1.00 0.00 C ATOM 1436 C HIS A 101 8.276 9.515 4.942 1.00 0.00 C ATOM 1437 O HIS A 101 7.432 10.014 5.687 1.00 0.00 O ATOM 1438 CB HIS A 101 9.441 11.608 4.209 1.00 0.00 C ATOM 1439 CG HIS A 101 8.599 12.474 5.094 1.00 0.00 C ATOM 1440 ND1 HIS A 101 8.933 12.768 6.400 1.00 0.00 N ATOM 1441 CD2 HIS A 101 7.429 13.114 4.855 1.00 0.00 C ATOM 1442 CE1 HIS A 101 8.006 13.549 6.925 1.00 0.00 C ATOM 1443 NE2 HIS A 101 7.083 13.774 6.009 1.00 0.00 N ATOM 0 H HIS A 101 10.512 9.769 2.886 1.00 0.00 H new ATOM 0 HA HIS A 101 10.134 10.234 5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 101 10.417 12.075 4.080 1.00 0.00 H new ATOM 0 HB3 HIS A 101 8.980 11.555 3.223 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.872 13.107 3.930 1.00 0.00 H new ATOM 0 HE1 HIS A 101 8.004 13.937 7.933 1.00 0.00 H new ATOM 0 HE2 HIS A 101 6.248 14.345 6.137 1.00 0.00 H new ATOM 1452 N GLU A 102 8.068 8.384 4.273 1.00 0.00 N ATOM 1453 CA GLU A 102 6.811 7.654 4.382 1.00 0.00 C ATOM 1454 C GLU A 102 6.816 6.739 5.603 1.00 0.00 C ATOM 1455 O GLU A 102 5.773 6.489 6.207 1.00 0.00 O ATOM 1456 CB GLU A 102 6.564 6.830 3.117 1.00 0.00 C ATOM 1457 CG GLU A 102 6.483 7.669 1.852 1.00 0.00 C ATOM 1458 CD GLU A 102 6.238 6.831 0.612 1.00 0.00 C ATOM 1459 OE1 GLU A 102 5.197 6.142 0.557 1.00 0.00 O ATOM 1460 OE2 GLU A 102 7.086 6.864 -0.304 1.00 0.00 O ATOM 0 H GLU A 102 8.753 7.955 3.651 1.00 0.00 H new ATOM 0 HA GLU A 102 6.008 8.381 4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.365 6.099 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.635 6.271 3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.682 8.400 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.411 8.228 1.731 1.00 0.00 H new ATOM 1467 N LEU A 103 7.996 6.243 5.960 1.00 0.00 N ATOM 1468 CA LEU A 103 8.134 5.355 7.109 1.00 0.00 C ATOM 1469 C LEU A 103 9.601 5.036 7.381 1.00 0.00 C ATOM 1470 O LEU A 103 10.038 5.012 8.531 1.00 0.00 O ATOM 1471 CB LEU A 103 7.352 4.058 6.882 1.00 0.00 C ATOM 1472 CG LEU A 103 7.803 3.220 5.681 1.00 0.00 C ATOM 1473 CD1 LEU A 103 7.053 1.898 5.646 1.00 0.00 C ATOM 1474 CD2 LEU A 103 7.588 3.984 4.382 1.00 0.00 C ATOM 0 H LEU A 103 8.869 6.440 5.471 1.00 0.00 H new ATOM 0 HA LEU A 103 7.725 5.869 7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.429 3.445 7.780 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.298 4.307 6.755 1.00 0.00 H new ATOM 0 HG LEU A 103 8.868 3.014 5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.385 1.314 4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.253 1.342 6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.983 2.089 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.915 3.372 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.530 4.220 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.166 4.908 4.404 1.00 0.00 H new ATOM 1486 N GLN A 104 10.357 4.792 6.314 1.00 0.00 N ATOM 1487 CA GLN A 104 11.776 4.473 6.436 1.00 0.00 C ATOM 1488 C GLN A 104 11.965 3.152 7.183 1.00 0.00 C ATOM 1489 O GLN A 104 11.269 2.882 8.162 1.00 0.00 O ATOM 1490 CB GLN A 104 12.510 5.597 7.174 1.00 0.00 C ATOM 1491 CG GLN A 104 14.024 5.497 7.090 1.00 0.00 C ATOM 1492 CD GLN A 104 14.550 5.791 5.698 1.00 0.00 C ATOM 1493 OE1 GLN A 104 14.164 5.145 4.724 1.00 0.00 O ATOM 1494 NE2 GLN A 104 15.439 6.773 5.598 1.00 0.00 N ATOM 0 H GLN A 104 10.010 4.809 5.355 1.00 0.00 H new ATOM 0 HA GLN A 104 12.194 4.373 5.434 1.00 0.00 H new ATOM 0 HB2 GLN A 104 12.195 6.556 6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 104 12.212 5.586 8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 104 14.471 6.195 7.798 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.336 4.496 7.389 1.00 0.00 H new ATOM 0 HE21 GLN A 104 15.731 7.283 6.432 1.00 0.00 H new ATOM 0 HE22 GLN A 104 15.829 7.017 4.688 1.00 0.00 H new ATOM 1503 N PRO A 105 12.910 2.305 6.734 1.00 0.00 N ATOM 1504 CA PRO A 105 13.177 1.018 7.366 1.00 0.00 C ATOM 1505 C PRO A 105 14.172 1.131 8.517 1.00 0.00 C ATOM 1506 O PRO A 105 15.153 0.390 8.578 1.00 0.00 O ATOM 1507 CB PRO A 105 13.769 0.203 6.220 1.00 0.00 C ATOM 1508 CG PRO A 105 14.482 1.203 5.370 1.00 0.00 C ATOM 1509 CD PRO A 105 13.792 2.533 5.575 1.00 0.00 C ATOM 0 HA PRO A 105 12.285 0.579 7.813 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.453 -0.561 6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.990 -0.312 5.657 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.533 1.267 5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.449 0.910 4.321 1.00 0.00 H new ATOM 0 HD2 PRO A 105 14.510 3.329 5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.223 2.827 4.693 1.00 0.00 H new ATOM 1517 N LEU A 106 13.911 2.065 9.425 1.00 0.00 N ATOM 1518 CA LEU A 106 14.782 2.279 10.575 1.00 0.00 C ATOM 1519 C LEU A 106 14.080 1.874 11.868 1.00 0.00 C ATOM 1520 O LEU A 106 14.641 1.149 12.690 1.00 0.00 O ATOM 1521 CB LEU A 106 15.206 3.747 10.646 1.00 0.00 C ATOM 1522 CG LEU A 106 16.135 4.100 11.808 1.00 0.00 C ATOM 1523 CD1 LEU A 106 17.402 3.261 11.754 1.00 0.00 C ATOM 1524 CD2 LEU A 106 16.474 5.583 11.784 1.00 0.00 C ATOM 0 H LEU A 106 13.103 2.686 9.387 1.00 0.00 H new ATOM 0 HA LEU A 106 15.669 1.657 10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.702 4.011 9.712 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.311 4.364 10.717 1.00 0.00 H new ATOM 0 HG LEU A 106 15.619 3.879 12.742 1.00 0.00 H new ATOM 0 HD11 LEU A 106 18.050 3.527 12.589 1.00 0.00 H new ATOM 0 HD12 LEU A 106 17.142 2.204 11.819 1.00 0.00 H new ATOM 0 HD13 LEU A 106 17.923 3.449 10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 106 17.136 5.818 12.617 1.00 0.00 H new ATOM 0 HD22 LEU A 106 16.971 5.827 10.845 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.558 6.167 11.872 1.00 0.00 H new ATOM 1536 N ALA A 107 12.849 2.344 12.037 1.00 0.00 N ATOM 1537 CA ALA A 107 12.064 2.030 13.226 1.00 0.00 C ATOM 1538 C ALA A 107 12.799 2.432 14.502 1.00 0.00 C ATOM 1539 O ALA A 107 12.590 1.838 15.560 1.00 0.00 O ATOM 1540 CB ALA A 107 11.724 0.547 13.254 1.00 0.00 C ATOM 0 H ALA A 107 12.372 2.945 11.365 1.00 0.00 H new ATOM 0 HA ALA A 107 11.140 2.606 13.180 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.138 0.325 14.146 1.00 0.00 H new ATOM 0 HB2 ALA A 107 11.146 0.289 12.367 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.644 -0.037 13.270 1.00 0.00 H new ATOM 1546 N ILE A 108 13.664 3.436 14.394 1.00 0.00 N ATOM 1547 CA ILE A 108 14.434 3.911 15.535 1.00 0.00 C ATOM 1548 C ILE A 108 15.446 2.852 15.955 1.00 0.00 C ATOM 1549 O ILE A 108 15.652 2.595 17.140 1.00 0.00 O ATOM 1550 CB ILE A 108 13.527 4.284 16.736 1.00 0.00 C ATOM 1551 CG1 ILE A 108 12.532 5.383 16.345 1.00 0.00 C ATOM 1552 CG2 ILE A 108 14.366 4.743 17.922 1.00 0.00 C ATOM 1553 CD1 ILE A 108 11.493 4.946 15.335 1.00 0.00 C ATOM 0 H ILE A 108 13.848 3.937 13.525 1.00 0.00 H new ATOM 0 HA ILE A 108 14.956 4.817 15.226 1.00 0.00 H new ATOM 0 HB ILE A 108 12.969 3.393 17.024 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.024 5.735 17.243 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.084 6.230 15.938 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.710 5.000 18.754 1.00 0.00 H new ATOM 0 HG22 ILE A 108 15.038 3.940 18.225 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.951 5.618 17.637 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.828 5.781 15.112 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.989 4.623 14.420 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.912 4.119 15.745 1.00 0.00 H new ATOM 1565 N VAL A 109 16.071 2.236 14.957 1.00 0.00 N ATOM 1566 CA VAL A 109 17.067 1.196 15.194 1.00 0.00 C ATOM 1567 C VAL A 109 16.413 -0.075 15.726 1.00 0.00 C ATOM 1568 O VAL A 109 16.462 -0.359 16.923 1.00 0.00 O ATOM 1569 CB VAL A 109 18.151 1.666 16.186 1.00 0.00 C ATOM 1570 CG1 VAL A 109 19.224 0.600 16.359 1.00 0.00 C ATOM 1571 CG2 VAL A 109 18.762 2.980 15.722 1.00 0.00 C ATOM 0 H VAL A 109 15.905 2.440 13.972 1.00 0.00 H new ATOM 0 HA VAL A 109 17.539 0.983 14.235 1.00 0.00 H new ATOM 0 HB VAL A 109 17.682 1.830 17.156 1.00 0.00 H new ATOM 0 HG11 VAL A 109 19.978 0.953 17.063 1.00 0.00 H new ATOM 0 HG12 VAL A 109 18.770 -0.314 16.742 1.00 0.00 H new ATOM 0 HG13 VAL A 109 19.693 0.397 15.396 1.00 0.00 H new ATOM 0 HG21 VAL A 109 19.525 3.298 16.433 1.00 0.00 H new ATOM 0 HG22 VAL A 109 19.215 2.844 14.740 1.00 0.00 H new ATOM 0 HG23 VAL A 109 17.984 3.741 15.660 1.00 0.00 H new ATOM 1581 N ASP A 110 15.796 -0.835 14.825 1.00 0.00 N ATOM 1582 CA ASP A 110 15.127 -2.076 15.199 1.00 0.00 C ATOM 1583 C ASP A 110 16.115 -3.237 15.270 1.00 0.00 C ATOM 1584 O ASP A 110 15.936 -4.168 16.055 1.00 0.00 O ATOM 1585 CB ASP A 110 14.015 -2.401 14.199 1.00 0.00 C ATOM 1586 CG ASP A 110 14.540 -2.570 12.787 1.00 0.00 C ATOM 1587 OD1 ASP A 110 15.127 -1.607 12.252 1.00 0.00 O ATOM 1588 OD2 ASP A 110 14.363 -3.667 12.216 1.00 0.00 O ATOM 0 H ASP A 110 15.746 -0.612 13.831 1.00 0.00 H new ATOM 0 HA ASP A 110 14.692 -1.936 16.189 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.508 -3.316 14.507 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.272 -1.604 14.215 1.00 0.00 H new ATOM 1593 N GLN A 111 17.155 -3.179 14.444 1.00 0.00 N ATOM 1594 CA GLN A 111 18.166 -4.231 14.417 1.00 0.00 C ATOM 1595 C GLN A 111 19.171 -4.058 15.552 1.00 0.00 C ATOM 1596 O GLN A 111 19.853 -5.007 15.938 1.00 0.00 O ATOM 1597 CB GLN A 111 18.907 -4.230 13.075 1.00 0.00 C ATOM 1598 CG GLN A 111 17.983 -4.315 11.871 1.00 0.00 C ATOM 1599 CD GLN A 111 17.143 -5.577 11.868 1.00 0.00 C ATOM 1600 OE1 GLN A 111 16.367 -5.823 12.791 1.00 0.00 O ATOM 1601 NE2 GLN A 111 17.296 -6.387 10.826 1.00 0.00 N ATOM 0 H GLN A 111 17.320 -2.417 13.786 1.00 0.00 H new ATOM 0 HA GLN A 111 17.653 -5.184 14.546 1.00 0.00 H new ATOM 0 HB2 GLN A 111 19.505 -3.322 13.000 1.00 0.00 H new ATOM 0 HB3 GLN A 111 19.600 -5.071 13.051 1.00 0.00 H new ATOM 0 HG2 GLN A 111 17.326 -3.446 11.860 1.00 0.00 H new ATOM 0 HG3 GLN A 111 18.577 -4.277 10.958 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.951 -6.144 10.083 1.00 0.00 H new ATOM 0 HE22 GLN A 111 16.759 -7.252 10.769 1.00 0.00 H new ATOM 1610 N ARG A 112 19.273 -2.836 16.069 1.00 0.00 N ATOM 1611 CA ARG A 112 20.214 -2.539 17.141 1.00 0.00 C ATOM 1612 C ARG A 112 21.635 -2.932 16.734 1.00 0.00 C ATOM 1613 O ARG A 112 22.363 -3.547 17.514 1.00 0.00 O ATOM 1614 CB ARG A 112 19.818 -3.274 18.425 1.00 0.00 C ATOM 1615 CG ARG A 112 18.515 -2.789 19.045 1.00 0.00 C ATOM 1616 CD ARG A 112 17.327 -3.011 18.120 1.00 0.00 C ATOM 1617 NE ARG A 112 16.059 -2.677 18.766 1.00 0.00 N ATOM 1618 CZ ARG A 112 15.554 -3.345 19.801 1.00 0.00 C ATOM 1619 NH1 ARG A 112 16.180 -4.412 20.283 1.00 0.00 N ATOM 1620 NH2 ARG A 112 14.411 -2.953 20.347 1.00 0.00 N ATOM 0 H ARG A 112 18.716 -2.038 15.762 1.00 0.00 H new ATOM 0 HA ARG A 112 20.186 -1.465 17.328 1.00 0.00 H new ATOM 0 HB2 ARG A 112 19.730 -4.339 18.209 1.00 0.00 H new ATOM 0 HB3 ARG A 112 20.619 -3.162 19.156 1.00 0.00 H new ATOM 0 HG2 ARG A 112 18.345 -3.312 19.986 1.00 0.00 H new ATOM 0 HG3 ARG A 112 18.598 -1.728 19.280 1.00 0.00 H new ATOM 0 HD2 ARG A 112 17.448 -2.404 17.223 1.00 0.00 H new ATOM 0 HD3 ARG A 112 17.307 -4.053 17.799 1.00 0.00 H new ATOM 0 HE ARG A 112 15.529 -1.885 18.402 1.00 0.00 H new ATOM 0 HH11 ARG A 112 17.054 -4.725 19.860 1.00 0.00 H new ATOM 0 HH12 ARG A 112 15.787 -4.919 21.076 1.00 0.00 H new ATOM 0 HH21 ARG A 112 13.920 -2.141 19.974 1.00 0.00 H new ATOM 0 HH22 ARG A 112 14.023 -3.464 21.140 1.00 0.00 H new ATOM 1634 N PRO A 113 22.052 -2.586 15.499 1.00 0.00 N ATOM 1635 CA PRO A 113 23.381 -2.911 14.997 1.00 0.00 C ATOM 1636 C PRO A 113 24.407 -1.839 15.307 1.00 0.00 C ATOM 1637 O PRO A 113 25.586 -2.133 15.504 1.00 0.00 O ATOM 1638 CB PRO A 113 23.142 -2.986 13.494 1.00 0.00 C ATOM 1639 CG PRO A 113 22.119 -1.932 13.238 1.00 0.00 C ATOM 1640 CD PRO A 113 21.264 -1.854 14.482 1.00 0.00 C ATOM 0 HA PRO A 113 23.785 -3.818 15.447 1.00 0.00 H new ATOM 0 HB2 PRO A 113 24.058 -2.797 12.934 1.00 0.00 H new ATOM 0 HB3 PRO A 113 22.783 -3.971 13.196 1.00 0.00 H new ATOM 0 HG2 PRO A 113 22.593 -0.972 13.032 1.00 0.00 H new ATOM 0 HG3 PRO A 113 21.514 -2.182 12.366 1.00 0.00 H new ATOM 0 HD2 PRO A 113 21.086 -0.821 14.781 1.00 0.00 H new ATOM 0 HD3 PRO A 113 20.288 -2.313 14.326 1.00 0.00 H new ATOM 1648 N SER A 114 23.962 -0.589 15.311 1.00 0.00 N ATOM 1649 CA SER A 114 24.858 0.529 15.553 1.00 0.00 C ATOM 1650 C SER A 114 25.909 0.603 14.447 1.00 0.00 C ATOM 1651 O SER A 114 26.808 1.443 14.491 1.00 0.00 O ATOM 1652 CB SER A 114 25.537 0.391 16.918 1.00 0.00 C ATOM 1653 OG SER A 114 24.580 0.353 17.962 1.00 0.00 O ATOM 0 H SER A 114 22.990 -0.327 15.150 1.00 0.00 H new ATOM 0 HA SER A 114 24.274 1.449 15.552 1.00 0.00 H new ATOM 0 HB2 SER A 114 26.138 -0.518 16.938 1.00 0.00 H new ATOM 0 HB3 SER A 114 26.218 1.227 17.075 1.00 0.00 H new ATOM 0 HG SER A 114 25.039 0.263 18.823 1.00 0.00 H new ATOM 1659 N SER A 115 25.800 -0.298 13.460 1.00 0.00 N ATOM 1660 CA SER A 115 26.749 -0.345 12.352 1.00 0.00 C ATOM 1661 C SER A 115 28.094 -0.836 12.858 1.00 0.00 C ATOM 1662 O SER A 115 29.149 -0.398 12.398 1.00 0.00 O ATOM 1663 CB SER A 115 26.897 1.031 11.695 1.00 0.00 C ATOM 1664 OG SER A 115 25.649 1.507 11.222 1.00 0.00 O ATOM 0 H SER A 115 25.063 -1.001 13.412 1.00 0.00 H new ATOM 0 HA SER A 115 26.371 -1.035 11.598 1.00 0.00 H new ATOM 0 HB2 SER A 115 27.311 1.738 12.414 1.00 0.00 H new ATOM 0 HB3 SER A 115 27.603 0.968 10.867 1.00 0.00 H new ATOM 0 HG SER A 115 25.770 2.387 10.809 1.00 0.00 H new ATOM 1670 N ARG A 116 28.038 -1.741 13.825 1.00 0.00 N ATOM 1671 CA ARG A 116 29.236 -2.298 14.431 1.00 0.00 C ATOM 1672 C ARG A 116 29.305 -3.806 14.236 1.00 0.00 C ATOM 1673 O ARG A 116 30.314 -4.436 14.554 1.00 0.00 O ATOM 1674 CB ARG A 116 29.250 -1.960 15.916 1.00 0.00 C ATOM 1675 CG ARG A 116 28.990 -0.493 16.196 1.00 0.00 C ATOM 1676 CD ARG A 116 28.960 -0.204 17.689 1.00 0.00 C ATOM 1677 NE ARG A 116 30.233 -0.517 18.335 1.00 0.00 N ATOM 1678 CZ ARG A 116 31.367 0.141 18.101 1.00 0.00 C ATOM 1679 NH1 ARG A 116 31.385 1.177 17.272 1.00 0.00 N ATOM 1680 NH2 ARG A 116 32.485 -0.232 18.709 1.00 0.00 N ATOM 0 H ARG A 116 27.167 -2.107 14.208 1.00 0.00 H new ATOM 0 HA ARG A 116 30.108 -1.861 13.944 1.00 0.00 H new ATOM 0 HB2 ARG A 116 28.496 -2.560 16.426 1.00 0.00 H new ATOM 0 HB3 ARG A 116 30.216 -2.238 16.336 1.00 0.00 H new ATOM 0 HG2 ARG A 116 29.765 0.111 15.724 1.00 0.00 H new ATOM 0 HG3 ARG A 116 28.040 -0.200 15.749 1.00 0.00 H new ATOM 0 HD2 ARG A 116 28.721 0.847 17.850 1.00 0.00 H new ATOM 0 HD3 ARG A 116 28.165 -0.786 18.155 1.00 0.00 H new ATOM 0 HE ARG A 116 30.254 -1.286 19.005 1.00 0.00 H new ATOM 0 HH11 ARG A 116 30.526 1.475 16.809 1.00 0.00 H new ATOM 0 HH12 ARG A 116 32.258 1.676 17.098 1.00 0.00 H new ATOM 0 HH21 ARG A 116 32.475 -1.022 19.355 1.00 0.00 H new ATOM 0 HH22 ARG A 116 33.354 0.271 18.531 1.00 0.00 H new ATOM 1694 N ALA A 117 28.236 -4.381 13.700 1.00 0.00 N ATOM 1695 CA ALA A 117 28.191 -5.814 13.451 1.00 0.00 C ATOM 1696 C ALA A 117 29.311 -6.242 12.502 1.00 0.00 C ATOM 1697 O ALA A 117 29.558 -7.435 12.323 1.00 0.00 O ATOM 1698 CB ALA A 117 26.836 -6.208 12.883 1.00 0.00 C ATOM 0 H ALA A 117 27.391 -3.878 13.430 1.00 0.00 H new ATOM 0 HA ALA A 117 28.338 -6.328 14.401 1.00 0.00 H new ATOM 0 HB1 ALA A 117 26.816 -7.283 12.701 1.00 0.00 H new ATOM 0 HB2 ALA A 117 26.053 -5.946 13.594 1.00 0.00 H new ATOM 0 HB3 ALA A 117 26.667 -5.678 11.945 1.00 0.00 H new ATOM 1704 N SER A 118 29.990 -5.266 11.895 1.00 0.00 N ATOM 1705 CA SER A 118 31.079 -5.557 10.971 1.00 0.00 C ATOM 1706 C SER A 118 31.839 -4.290 10.608 1.00 0.00 C ATOM 1707 O SER A 118 32.253 -4.107 9.463 1.00 0.00 O ATOM 1708 CB SER A 118 30.539 -6.224 9.706 1.00 0.00 C ATOM 1709 OG SER A 118 31.584 -6.509 8.792 1.00 0.00 O ATOM 0 H SER A 118 29.803 -4.272 12.028 1.00 0.00 H new ATOM 0 HA SER A 118 31.768 -6.241 11.467 1.00 0.00 H new ATOM 0 HB2 SER A 118 30.022 -7.146 9.970 1.00 0.00 H new ATOM 0 HB3 SER A 118 29.806 -5.572 9.232 1.00 0.00 H new ATOM 0 HG SER A 118 32.134 -5.708 8.664 1.00 0.00 H new ATOM 1715 N SER A 119 32.036 -3.426 11.595 1.00 0.00 N ATOM 1716 CA SER A 119 32.766 -2.186 11.382 1.00 0.00 C ATOM 1717 C SER A 119 34.253 -2.468 11.175 1.00 0.00 C ATOM 1718 O SER A 119 35.019 -1.573 10.819 1.00 0.00 O ATOM 1719 CB SER A 119 32.573 -1.243 12.571 1.00 0.00 C ATOM 1720 OG SER A 119 33.279 -0.029 12.380 1.00 0.00 O ATOM 0 H SER A 119 31.701 -3.562 12.549 1.00 0.00 H new ATOM 0 HA SER A 119 32.373 -1.707 10.485 1.00 0.00 H new ATOM 0 HB2 SER A 119 31.512 -1.033 12.704 1.00 0.00 H new ATOM 0 HB3 SER A 119 32.919 -1.728 13.484 1.00 0.00 H new ATOM 0 HG SER A 119 34.012 -0.173 11.746 1.00 0.00 H new ATOM 1726 N ARG A 120 34.657 -3.719 11.402 1.00 0.00 N ATOM 1727 CA ARG A 120 36.041 -4.117 11.243 1.00 0.00 C ATOM 1728 C ARG A 120 36.439 -4.141 9.770 1.00 0.00 C ATOM 1729 O ARG A 120 37.569 -3.803 9.417 1.00 0.00 O ATOM 1730 CB ARG A 120 36.242 -5.495 11.863 1.00 0.00 C ATOM 1731 CG ARG A 120 35.372 -6.577 11.242 1.00 0.00 C ATOM 1732 CD ARG A 120 35.621 -7.930 11.891 1.00 0.00 C ATOM 1733 NE ARG A 120 34.805 -8.985 11.292 1.00 0.00 N ATOM 1734 CZ ARG A 120 34.946 -9.412 10.039 1.00 0.00 C ATOM 1735 NH1 ARG A 120 35.900 -8.914 9.262 1.00 0.00 N ATOM 1736 NH2 ARG A 120 34.140 -10.353 9.567 1.00 0.00 N ATOM 0 H ARG A 120 34.035 -4.472 11.698 1.00 0.00 H new ATOM 0 HA ARG A 120 36.676 -3.390 11.749 1.00 0.00 H new ATOM 0 HB2 ARG A 120 37.289 -5.780 11.761 1.00 0.00 H new ATOM 0 HB3 ARG A 120 36.029 -5.438 12.931 1.00 0.00 H new ATOM 0 HG2 ARG A 120 34.321 -6.308 11.350 1.00 0.00 H new ATOM 0 HG3 ARG A 120 35.576 -6.641 10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 120 36.675 -8.189 11.795 1.00 0.00 H new ATOM 0 HD3 ARG A 120 35.404 -7.866 12.957 1.00 0.00 H new ATOM 0 HE ARG A 120 34.085 -9.420 11.869 1.00 0.00 H new ATOM 0 HH11 ARG A 120 36.531 -8.199 9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 120 36.002 -9.246 8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 120 33.413 -10.748 10.164 1.00 0.00 H new ATOM 0 HH22 ARG A 120 34.247 -10.681 8.607 1.00 0.00 H new ATOM 1750 N ALA A 121 35.499 -4.546 8.918 1.00 0.00 N ATOM 1751 CA ALA A 121 35.730 -4.623 7.476 1.00 0.00 C ATOM 1752 C ALA A 121 36.477 -5.898 7.102 1.00 0.00 C ATOM 1753 O ALA A 121 36.002 -6.691 6.289 1.00 0.00 O ATOM 1754 CB ALA A 121 36.488 -3.397 6.980 1.00 0.00 C ATOM 0 H ALA A 121 34.562 -4.828 9.205 1.00 0.00 H new ATOM 0 HA ALA A 121 34.756 -4.647 6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 121 36.647 -3.478 5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 121 35.908 -2.499 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 121 37.451 -3.336 7.486 1.00 0.00 H new ATOM 1760 N SER A 122 37.646 -6.089 7.699 1.00 0.00 N ATOM 1761 CA SER A 122 38.459 -7.269 7.428 1.00 0.00 C ATOM 1762 C SER A 122 39.547 -7.431 8.483 1.00 0.00 C ATOM 1763 O SER A 122 40.666 -7.841 8.177 1.00 0.00 O ATOM 1764 CB SER A 122 39.091 -7.174 6.038 1.00 0.00 C ATOM 1765 OG SER A 122 38.099 -7.101 5.028 1.00 0.00 O ATOM 0 H SER A 122 38.053 -5.442 8.374 1.00 0.00 H new ATOM 0 HA SER A 122 37.808 -8.143 7.463 1.00 0.00 H new ATOM 0 HB2 SER A 122 39.732 -6.294 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 122 39.727 -8.042 5.865 1.00 0.00 H new ATOM 0 HG SER A 122 37.236 -7.385 5.396 1.00 0.00 H new ATOM 1771 N SER A 123 39.211 -7.104 9.725 1.00 0.00 N ATOM 1772 CA SER A 123 40.163 -7.210 10.825 1.00 0.00 C ATOM 1773 C SER A 123 40.439 -8.670 11.173 1.00 0.00 C ATOM 1774 O SER A 123 39.962 -9.177 12.189 1.00 0.00 O ATOM 1775 CB SER A 123 39.637 -6.472 12.057 1.00 0.00 C ATOM 1776 OG SER A 123 39.403 -5.104 11.771 1.00 0.00 O ATOM 0 H SER A 123 38.288 -6.764 9.996 1.00 0.00 H new ATOM 0 HA SER A 123 41.098 -6.750 10.505 1.00 0.00 H new ATOM 0 HB2 SER A 123 38.713 -6.939 12.397 1.00 0.00 H new ATOM 0 HB3 SER A 123 40.356 -6.559 12.871 1.00 0.00 H new ATOM 0 HG SER A 123 39.066 -4.655 12.574 1.00 0.00 H new ATOM 1782 N ARG A 124 41.218 -9.341 10.330 1.00 0.00 N ATOM 1783 CA ARG A 124 41.562 -10.741 10.559 1.00 0.00 C ATOM 1784 C ARG A 124 43.073 -10.952 10.481 1.00 0.00 C ATOM 1785 O ARG A 124 43.579 -11.530 9.519 1.00 0.00 O ATOM 1786 CB ARG A 124 40.861 -11.644 9.542 1.00 0.00 C ATOM 1787 CG ARG A 124 39.344 -11.595 9.622 1.00 0.00 C ATOM 1788 CD ARG A 124 38.706 -12.653 8.733 1.00 0.00 C ATOM 1789 NE ARG A 124 39.080 -12.495 7.329 1.00 0.00 N ATOM 1790 CZ ARG A 124 38.687 -11.479 6.564 1.00 0.00 C ATOM 1791 NH1 ARG A 124 37.877 -10.547 7.049 1.00 0.00 N ATOM 1792 NH2 ARG A 124 39.096 -11.401 5.306 1.00 0.00 N ATOM 0 H ARG A 124 41.622 -8.939 9.484 1.00 0.00 H new ATOM 0 HA ARG A 124 41.223 -11.006 11.561 1.00 0.00 H new ATOM 0 HB2 ARG A 124 41.172 -11.355 8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 124 41.191 -12.672 9.694 1.00 0.00 H new ATOM 0 HG2 ARG A 124 39.028 -11.746 10.654 1.00 0.00 H new ATOM 0 HG3 ARG A 124 38.994 -10.607 9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 124 39.005 -13.643 9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 124 37.621 -12.597 8.827 1.00 0.00 H new ATOM 0 HE ARG A 124 39.679 -13.207 6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 124 37.551 -10.606 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 124 37.580 -9.771 6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 124 39.712 -12.119 4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 124 38.795 -10.623 4.719 1.00 0.00 H new ATOM 1806 N PRO A 125 43.817 -10.484 11.498 1.00 0.00 N ATOM 1807 CA PRO A 125 45.275 -10.626 11.538 1.00 0.00 C ATOM 1808 C PRO A 125 45.712 -12.087 11.575 1.00 0.00 C ATOM 1809 O PRO A 125 45.165 -12.891 12.330 1.00 0.00 O ATOM 1810 CB PRO A 125 45.680 -9.918 12.838 1.00 0.00 C ATOM 1811 CG PRO A 125 44.513 -9.063 13.198 1.00 0.00 C ATOM 1812 CD PRO A 125 43.301 -9.783 12.684 1.00 0.00 C ATOM 0 HA PRO A 125 45.744 -10.205 10.648 1.00 0.00 H new ATOM 0 HB2 PRO A 125 45.899 -10.638 13.627 1.00 0.00 H new ATOM 0 HB3 PRO A 125 46.579 -9.318 12.696 1.00 0.00 H new ATOM 0 HG2 PRO A 125 44.453 -8.918 14.277 1.00 0.00 H new ATOM 0 HG3 PRO A 125 44.600 -8.074 12.748 1.00 0.00 H new ATOM 0 HD2 PRO A 125 42.900 -10.478 13.422 1.00 0.00 H new ATOM 0 HD3 PRO A 125 42.498 -9.092 12.428 1.00 0.00 H new ATOM 1820 N ARG A 126 46.705 -12.421 10.759 1.00 0.00 N ATOM 1821 CA ARG A 126 47.222 -13.785 10.703 1.00 0.00 C ATOM 1822 C ARG A 126 48.591 -13.814 10.019 1.00 0.00 C ATOM 1823 O ARG A 126 49.555 -14.339 10.577 1.00 0.00 O ATOM 1824 CB ARG A 126 46.234 -14.706 9.974 1.00 0.00 C ATOM 1825 CG ARG A 126 46.443 -16.190 10.247 1.00 0.00 C ATOM 1826 CD ARG A 126 47.794 -16.680 9.747 1.00 0.00 C ATOM 1827 NE ARG A 126 47.920 -18.132 9.845 1.00 0.00 N ATOM 1828 CZ ARG A 126 47.189 -18.991 9.139 1.00 0.00 C ATOM 1829 NH1 ARG A 126 46.310 -18.551 8.247 1.00 0.00 N ATOM 1830 NH2 ARG A 126 47.347 -20.296 9.314 1.00 0.00 N ATOM 0 H ARG A 126 47.168 -11.768 10.127 1.00 0.00 H new ATOM 0 HA ARG A 126 47.342 -14.149 11.723 1.00 0.00 H new ATOM 0 HB2 ARG A 126 45.219 -14.434 10.265 1.00 0.00 H new ATOM 0 HB3 ARG A 126 46.316 -14.531 8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 126 46.365 -16.376 11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 126 45.650 -16.762 9.766 1.00 0.00 H new ATOM 0 HD2 ARG A 126 47.930 -16.374 8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 126 48.588 -16.207 10.325 1.00 0.00 H new ATOM 0 HE ARG A 126 48.610 -18.510 10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 126 46.192 -17.549 8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 126 45.753 -19.215 7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 126 48.029 -20.641 9.990 1.00 0.00 H new ATOM 0 HH22 ARG A 126 46.787 -20.955 8.773 1.00 0.00 H new ATOM 1844 N PRO A 127 48.705 -13.243 8.805 1.00 0.00 N ATOM 1845 CA PRO A 127 49.960 -13.205 8.062 1.00 0.00 C ATOM 1846 C PRO A 127 50.842 -12.038 8.497 1.00 0.00 C ATOM 1847 O PRO A 127 51.188 -11.171 7.694 1.00 0.00 O ATOM 1848 CB PRO A 127 49.508 -13.031 6.598 1.00 0.00 C ATOM 1849 CG PRO A 127 48.013 -12.902 6.632 1.00 0.00 C ATOM 1850 CD PRO A 127 47.640 -12.581 8.051 1.00 0.00 C ATOM 0 HA PRO A 127 50.563 -14.098 8.225 1.00 0.00 H new ATOM 0 HB2 PRO A 127 49.965 -12.147 6.152 1.00 0.00 H new ATOM 0 HB3 PRO A 127 49.811 -13.886 5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 127 47.677 -12.116 5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 127 47.537 -13.827 6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 127 47.618 -11.507 8.234 1.00 0.00 H new ATOM 0 HD3 PRO A 127 46.655 -12.968 8.311 1.00 0.00 H new ATOM 1858 N ASP A 128 51.197 -12.019 9.778 1.00 0.00 N ATOM 1859 CA ASP A 128 52.032 -10.956 10.328 1.00 0.00 C ATOM 1860 C ASP A 128 51.301 -9.618 10.264 1.00 0.00 C ATOM 1861 O ASP A 128 51.916 -8.568 10.085 1.00 0.00 O ATOM 1862 CB ASP A 128 53.358 -10.870 9.568 1.00 0.00 C ATOM 1863 CG ASP A 128 54.322 -9.878 10.190 1.00 0.00 C ATOM 1864 OD1 ASP A 128 53.977 -9.287 11.235 1.00 0.00 O ATOM 1865 OD2 ASP A 128 55.426 -9.696 9.634 1.00 0.00 O ATOM 0 H ASP A 128 50.919 -12.729 10.456 1.00 0.00 H new ATOM 0 HA ASP A 128 52.243 -11.189 11.372 1.00 0.00 H new ATOM 0 HB2 ASP A 128 53.823 -11.856 9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 128 53.163 -10.583 8.535 1.00 0.00 H new ATOM 1870 N ASP A 129 49.979 -9.673 10.411 1.00 0.00 N ATOM 1871 CA ASP A 129 49.131 -8.482 10.374 1.00 0.00 C ATOM 1872 C ASP A 129 48.897 -8.019 8.945 1.00 0.00 C ATOM 1873 O ASP A 129 48.704 -6.832 8.682 1.00 0.00 O ATOM 1874 CB ASP A 129 49.728 -7.346 11.212 1.00 0.00 C ATOM 1875 CG ASP A 129 48.785 -6.166 11.349 1.00 0.00 C ATOM 1876 OD1 ASP A 129 47.652 -6.244 10.826 1.00 0.00 O ATOM 1877 OD2 ASP A 129 49.177 -5.164 11.983 1.00 0.00 O ATOM 0 H ASP A 129 49.466 -10.542 10.559 1.00 0.00 H new ATOM 0 HA ASP A 129 48.169 -8.755 10.808 1.00 0.00 H new ATOM 0 HB2 ASP A 129 49.978 -7.723 12.203 1.00 0.00 H new ATOM 0 HB3 ASP A 129 50.659 -7.012 10.754 1.00 0.00 H new ATOM 1882 N LEU A 130 48.893 -8.976 8.029 1.00 0.00 N ATOM 1883 CA LEU A 130 48.654 -8.701 6.621 1.00 0.00 C ATOM 1884 C LEU A 130 49.741 -7.823 5.998 1.00 0.00 C ATOM 1885 O LEU A 130 49.623 -7.416 4.843 1.00 0.00 O ATOM 1886 CB LEU A 130 47.294 -8.030 6.446 1.00 0.00 C ATOM 1887 CG LEU A 130 46.110 -8.829 6.985 1.00 0.00 C ATOM 1888 CD1 LEU A 130 44.847 -7.988 6.941 1.00 0.00 C ATOM 1889 CD2 LEU A 130 45.927 -10.115 6.191 1.00 0.00 C ATOM 0 H LEU A 130 49.055 -9.961 8.240 1.00 0.00 H new ATOM 0 HA LEU A 130 48.673 -9.659 6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 130 47.316 -7.061 6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 130 47.133 -7.840 5.385 1.00 0.00 H new ATOM 0 HG LEU A 130 46.313 -9.096 8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 130 44.010 -8.569 7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 130 44.983 -7.096 7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 130 44.641 -7.695 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 130 45.079 -10.671 6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 130 45.743 -9.873 5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 130 46.828 -10.723 6.270 1.00 0.00 H new ATOM 1901 N GLU A 131 50.792 -7.527 6.754 1.00 0.00 N ATOM 1902 CA GLU A 131 51.875 -6.692 6.244 1.00 0.00 C ATOM 1903 C GLU A 131 52.614 -7.390 5.103 1.00 0.00 C ATOM 1904 O GLU A 131 53.350 -6.753 4.350 1.00 0.00 O ATOM 1905 CB GLU A 131 52.858 -6.339 7.363 1.00 0.00 C ATOM 1906 CG GLU A 131 53.652 -7.527 7.879 1.00 0.00 C ATOM 1907 CD GLU A 131 54.573 -7.156 9.025 1.00 0.00 C ATOM 1908 OE1 GLU A 131 54.067 -6.681 10.063 1.00 0.00 O ATOM 1909 OE2 GLU A 131 55.800 -7.341 8.884 1.00 0.00 O ATOM 0 H GLU A 131 50.918 -7.849 7.714 1.00 0.00 H new ATOM 0 HA GLU A 131 51.433 -5.773 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 131 53.551 -5.581 6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 131 52.307 -5.895 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 131 52.963 -8.305 8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 131 54.242 -7.947 7.064 1.00 0.00 H new ATOM 1916 N ILE A 132 52.414 -8.700 4.980 1.00 0.00 N ATOM 1917 CA ILE A 132 53.064 -9.475 3.930 1.00 0.00 C ATOM 1918 C ILE A 132 52.052 -9.931 2.884 1.00 0.00 C ATOM 1919 O ILE A 132 51.290 -10.878 3.173 1.00 0.00 O ATOM 1920 CB ILE A 132 53.788 -10.708 4.508 1.00 0.00 C ATOM 1921 CG1 ILE A 132 54.775 -10.281 5.597 1.00 0.00 C ATOM 1922 CG2 ILE A 132 54.509 -11.474 3.405 1.00 0.00 C ATOM 1923 CD1 ILE A 132 55.534 -11.437 6.213 1.00 0.00 C ATOM 1924 OXT ILE A 132 52.029 -9.338 1.785 1.00 0.00 O ATOM 0 H ILE A 132 51.808 -9.245 5.594 1.00 0.00 H new ATOM 0 HA ILE A 132 53.800 -8.823 3.459 1.00 0.00 H new ATOM 0 HB ILE A 132 53.044 -11.369 4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 132 55.488 -9.574 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 132 54.232 -9.754 6.382 1.00 0.00 H new ATOM 0 HG21 ILE A 132 55.013 -12.340 3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 132 53.786 -11.807 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 132 55.244 -10.824 2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 132 56.215 -11.060 6.976 1.00 0.00 H new ATOM 0 HD12 ILE A 132 54.830 -12.134 6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 132 56.105 -11.951 5.440 1.00 0.00 H new TER 1936 ILE A 132