USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 14 LYS NZ :NH3+ 177:sc= 2.18 (180deg=1.02) USER MOD Set 1.2: A 82 THR OG1 : rot -74:sc= 1.93 USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= -0.37 USER MOD Set 2.2: A 74 GLN : amide:sc= 0.212 K(o=-0.16,f=-2.9!) USER MOD Set 3.1: A 24 THR OG1 : rot -150:sc= 0 USER MOD Set 3.2: A 39 LYS NZ :NH3+ -175:sc= -0.155 (180deg=-0.167) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.208 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0913 X(o=-0.091,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.215 X(o=-0.21,f=-0.37) USER MOD Single : A 18 SER OG : rot 64:sc= 0.645 USER MOD Single : A 28 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.5!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.083 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0381 USER MOD Single : A 33 HIS : no HE2:sc= -0.481 K(o=-0.48,f=-1) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.701 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-0.88) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.343 K(o=-0.34,f=-2!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0481 X(o=-0.048,f=-0.39) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 81:sc= 1.28 USER MOD Single : A 81 ASN : amide:sc= -0.13 K(o=-0.13,f=-2!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -3.21! K(o=-3.2!,f=0.29) USER MOD Single : A 92 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.05) USER MOD Single : A 94 GLN : amide:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 33B O62 : rot 180:sc= 0 USER MOD Single : A 101 33B O72 : rot 150:sc= 0.581 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.242 -3.368 -12.001 1.00 74.53 N ATOM 2 CA GLY A 1 -14.948 -2.806 -11.621 1.00 74.21 C ATOM 3 C GLY A 1 -13.880 -3.796 -11.939 1.00 33.20 C ATOM 4 O GLY A 1 -14.130 -4.832 -12.580 1.00 0.12 O ATOM 0 H1 GLY A 1 -16.771 -2.672 -12.565 1.00 74.53 H new ATOM 0 H2 GLY A 1 -16.094 -4.230 -12.565 1.00 74.53 H new ATOM 0 H3 GLY A 1 -16.783 -3.603 -11.145 1.00 74.53 H new ATOM 0 HA2 GLY A 1 -14.770 -1.874 -12.157 1.00 74.21 H new ATOM 0 HA3 GLY A 1 -14.938 -2.569 -10.557 1.00 74.21 H new ATOM 10 N PRO A 2 -12.651 -3.474 -11.506 1.00 10.23 N ATOM 11 CA PRO A 2 -11.462 -4.273 -11.796 1.00 20.42 C ATOM 12 C PRO A 2 -11.593 -5.615 -11.124 1.00 33.44 C ATOM 13 O PRO A 2 -12.498 -5.798 -10.300 1.00 42.02 O ATOM 14 CB PRO A 2 -10.301 -3.453 -11.194 1.00 31.33 C ATOM 15 CG PRO A 2 -10.966 -2.581 -10.113 1.00 31.15 C ATOM 16 CD PRO A 2 -12.351 -2.293 -10.693 1.00 34.50 C ATOM 0 HA PRO A 2 -11.310 -4.465 -12.858 1.00 20.42 H new ATOM 0 HB2 PRO A 2 -9.537 -4.102 -10.766 1.00 31.33 H new ATOM 0 HB3 PRO A 2 -9.812 -2.841 -11.952 1.00 31.33 H new ATOM 0 HG2 PRO A 2 -11.031 -3.104 -9.159 1.00 31.15 H new ATOM 0 HG3 PRO A 2 -10.406 -1.663 -9.936 1.00 31.15 H new ATOM 0 HD2 PRO A 2 -13.092 -2.153 -9.906 1.00 34.50 H new ATOM 0 HD3 PRO A 2 -12.350 -1.384 -11.295 1.00 34.50 H new ATOM 24 N LYS A 3 -10.701 -6.557 -11.452 1.00 55.32 N ATOM 25 CA LYS A 3 -10.805 -7.885 -10.922 1.00 55.31 C ATOM 26 C LYS A 3 -9.665 -8.019 -9.957 1.00 45.41 C ATOM 27 O LYS A 3 -8.719 -7.218 -9.988 1.00 44.22 O ATOM 28 CB LYS A 3 -10.658 -8.974 -12.010 1.00 63.40 C ATOM 29 CG LYS A 3 -9.352 -8.907 -12.806 1.00 0.01 C ATOM 30 CD LYS A 3 -9.226 -10.070 -13.765 1.00 22.33 C ATOM 31 CE LYS A 3 -8.015 -9.968 -14.703 1.00 32.42 C ATOM 32 NZ LYS A 3 -8.035 -11.070 -15.678 1.00 53.02 N ATOM 0 H LYS A 3 -9.911 -6.408 -12.079 1.00 55.32 H new ATOM 0 HA LYS A 3 -11.786 -8.025 -10.468 1.00 55.31 H new ATOM 0 HB2 LYS A 3 -10.730 -9.953 -11.537 1.00 63.40 H new ATOM 0 HB3 LYS A 3 -11.495 -8.892 -12.703 1.00 63.40 H new ATOM 0 HG2 LYS A 3 -9.311 -7.970 -13.362 1.00 0.01 H new ATOM 0 HG3 LYS A 3 -8.506 -8.907 -12.119 1.00 0.01 H new ATOM 0 HD2 LYS A 3 -9.154 -10.995 -13.193 1.00 22.33 H new ATOM 0 HD3 LYS A 3 -10.134 -10.135 -14.364 1.00 22.33 H new ATOM 0 HE2 LYS A 3 -8.029 -9.011 -15.224 1.00 32.42 H new ATOM 0 HE3 LYS A 3 -7.093 -10.002 -14.123 1.00 32.42 H new ATOM 0 HZ1 LYS A 3 -7.211 -10.991 -16.308 1.00 53.02 H new ATOM 0 HZ2 LYS A 3 -8.000 -11.979 -15.175 1.00 53.02 H new ATOM 0 HZ3 LYS A 3 -8.908 -11.019 -16.242 1.00 53.02 H new ATOM 46 N PRO A 4 -9.730 -9.034 -9.076 1.00 22.43 N ATOM 47 CA PRO A 4 -8.665 -9.314 -8.135 1.00 21.04 C ATOM 48 C PRO A 4 -7.431 -9.679 -8.912 1.00 23.52 C ATOM 49 O PRO A 4 -7.535 -10.480 -9.842 1.00 21.20 O ATOM 50 CB PRO A 4 -9.180 -10.519 -7.307 1.00 61.10 C ATOM 51 CG PRO A 4 -10.710 -10.493 -7.505 1.00 32.04 C ATOM 52 CD PRO A 4 -10.856 -9.963 -8.930 1.00 42.44 C ATOM 0 HA PRO A 4 -8.414 -8.471 -7.491 1.00 21.04 H new ATOM 0 HB2 PRO A 4 -8.749 -11.456 -7.659 1.00 61.10 H new ATOM 0 HB3 PRO A 4 -8.914 -10.421 -6.255 1.00 61.10 H new ATOM 0 HG2 PRO A 4 -11.149 -11.484 -7.395 1.00 32.04 H new ATOM 0 HG3 PRO A 4 -11.201 -9.844 -6.780 1.00 32.04 H new ATOM 0 HD2 PRO A 4 -10.808 -10.768 -9.663 1.00 42.44 H new ATOM 0 HD3 PRO A 4 -11.812 -9.459 -9.073 1.00 42.44 H new ATOM 60 N GLY A 5 -6.276 -9.116 -8.570 1.00 72.45 N ATOM 61 CA GLY A 5 -5.052 -9.572 -9.175 1.00 23.12 C ATOM 62 C GLY A 5 -4.640 -8.638 -10.255 1.00 32.15 C ATOM 63 O GLY A 5 -3.546 -8.778 -10.824 1.00 21.44 O ATOM 0 H GLY A 5 -6.172 -8.361 -7.892 1.00 72.45 H new ATOM 0 HA2 GLY A 5 -4.267 -9.639 -8.422 1.00 23.12 H new ATOM 0 HA3 GLY A 5 -5.189 -10.574 -9.582 1.00 23.12 H new ATOM 67 N ASP A 6 -5.494 -7.650 -10.594 1.00 62.21 N ATOM 68 CA ASP A 6 -5.120 -6.668 -11.596 1.00 12.54 C ATOM 69 C ASP A 6 -4.124 -5.743 -10.961 1.00 74.31 C ATOM 70 O ASP A 6 -4.335 -5.262 -9.842 1.00 1.15 O ATOM 71 CB ASP A 6 -6.319 -5.830 -12.115 1.00 3.33 C ATOM 72 CG ASP A 6 -5.857 -4.903 -13.226 1.00 40.40 C ATOM 73 OD1 ASP A 6 -5.238 -5.393 -14.199 1.00 51.35 O ATOM 74 OD2 ASP A 6 -6.119 -3.683 -13.135 1.00 44.34 O ATOM 0 H ASP A 6 -6.423 -7.524 -10.192 1.00 62.21 H new ATOM 0 HA ASP A 6 -4.715 -7.199 -12.457 1.00 12.54 H new ATOM 0 HB2 ASP A 6 -7.104 -6.491 -12.483 1.00 3.33 H new ATOM 0 HB3 ASP A 6 -6.748 -5.249 -11.299 1.00 3.33 H new ATOM 79 N ILE A 7 -3.003 -5.513 -11.654 1.00 31.03 N ATOM 80 CA ILE A 7 -1.929 -4.723 -11.120 1.00 60.10 C ATOM 81 C ILE A 7 -2.091 -3.353 -11.699 1.00 22.21 C ATOM 82 O ILE A 7 -2.379 -3.211 -12.897 1.00 43.41 O ATOM 83 CB ILE A 7 -0.555 -5.236 -11.533 1.00 73.34 C ATOM 84 CG1 ILE A 7 -0.462 -6.767 -11.458 1.00 34.13 C ATOM 85 CG2 ILE A 7 0.520 -4.476 -10.745 1.00 32.02 C ATOM 86 CD1 ILE A 7 -0.642 -7.293 -10.095 1.00 21.33 C ATOM 0 H ILE A 7 -2.832 -5.874 -12.593 1.00 31.03 H new ATOM 0 HA ILE A 7 -1.977 -4.754 -10.032 1.00 60.10 H new ATOM 0 HB ILE A 7 -0.377 -5.027 -12.588 1.00 73.34 H new ATOM 0 HG12 ILE A 7 -1.218 -7.203 -12.111 1.00 34.13 H new ATOM 0 HG13 ILE A 7 0.509 -7.085 -11.838 1.00 34.13 H new ATOM 0 HG21 ILE A 7 1.507 -4.837 -11.035 1.00 32.02 H new ATOM 0 HG22 ILE A 7 0.445 -3.410 -10.962 1.00 32.02 H new ATOM 0 HG23 ILE A 7 0.373 -4.640 -9.678 1.00 32.02 H new ATOM 0 HD11 ILE A 7 -0.565 -8.380 -10.111 1.00 21.33 H new ATOM 0 HD12 ILE A 7 0.130 -6.884 -9.442 1.00 21.33 H new ATOM 0 HD13 ILE A 7 -1.624 -7.005 -9.720 1.00 21.33 H new ATOM 98 N PHE A 8 -1.938 -2.318 -10.874 1.00 73.24 N ATOM 99 CA PHE A 8 -2.023 -0.983 -11.389 1.00 63.30 C ATOM 100 C PHE A 8 -1.109 -0.104 -10.595 1.00 64.23 C ATOM 101 O PHE A 8 -0.679 -0.452 -9.500 1.00 45.53 O ATOM 102 CB PHE A 8 -3.477 -0.361 -11.452 1.00 32.51 C ATOM 103 CG PHE A 8 -4.189 -0.375 -10.097 1.00 60.35 C ATOM 104 CD1 PHE A 8 -4.411 -1.585 -9.366 1.00 54.14 C ATOM 105 CD2 PHE A 8 -4.716 0.830 -9.573 1.00 13.34 C ATOM 106 CE1 PHE A 8 -5.106 -1.567 -8.148 1.00 72.55 C ATOM 107 CE2 PHE A 8 -5.430 0.833 -8.354 1.00 3.24 C ATOM 108 CZ PHE A 8 -5.618 -0.361 -7.644 1.00 51.20 C ATOM 0 H PHE A 8 -1.759 -2.390 -9.872 1.00 73.24 H new ATOM 0 HA PHE A 8 -1.718 -1.043 -12.434 1.00 63.30 H new ATOM 0 HB2 PHE A 8 -3.412 0.666 -11.812 1.00 32.51 H new ATOM 0 HB3 PHE A 8 -4.073 -0.916 -12.176 1.00 32.51 H new ATOM 0 HD1 PHE A 8 -4.040 -2.521 -9.756 1.00 54.14 H new ATOM 0 HD2 PHE A 8 -4.571 1.756 -10.110 1.00 13.34 H new ATOM 0 HE1 PHE A 8 -5.248 -2.484 -7.596 1.00 72.55 H new ATOM 0 HE2 PHE A 8 -5.832 1.758 -7.968 1.00 3.24 H new ATOM 0 HZ PHE A 8 -6.157 -0.353 -6.708 1.00 51.20 H new ATOM 118 N GLU A 9 -0.757 1.044 -11.187 1.00 63.22 N ATOM 119 CA GLU A 9 0.048 2.038 -10.534 1.00 1.21 C ATOM 120 C GLU A 9 -0.880 3.131 -10.186 1.00 22.13 C ATOM 121 O GLU A 9 -1.818 3.414 -10.939 1.00 24.41 O ATOM 122 CB GLU A 9 1.111 2.669 -11.476 1.00 64.43 C ATOM 123 CG GLU A 9 2.158 1.672 -11.962 1.00 70.03 C ATOM 124 CD GLU A 9 3.079 2.372 -12.922 1.00 54.51 C ATOM 125 OE1 GLU A 9 3.721 3.367 -12.519 1.00 63.42 O ATOM 126 OE2 GLU A 9 3.181 1.921 -14.081 1.00 0.45 O ATOM 0 H GLU A 9 -1.033 1.294 -12.137 1.00 63.22 H new ATOM 0 HA GLU A 9 0.563 1.574 -9.693 1.00 1.21 H new ATOM 0 HB2 GLU A 9 0.608 3.106 -12.339 1.00 64.43 H new ATOM 0 HB3 GLU A 9 1.611 3.484 -10.953 1.00 64.43 H new ATOM 0 HG2 GLU A 9 2.722 1.275 -11.118 1.00 70.03 H new ATOM 0 HG3 GLU A 9 1.676 0.825 -12.450 1.00 70.03 H new ATOM 133 N VAL A 10 -0.635 3.797 -9.053 1.00 22.41 N ATOM 134 CA VAL A 10 -1.394 4.949 -8.715 1.00 1.50 C ATOM 135 C VAL A 10 -0.465 5.890 -8.019 1.00 51.24 C ATOM 136 O VAL A 10 0.566 5.486 -7.460 1.00 53.22 O ATOM 137 CB VAL A 10 -2.583 4.690 -7.797 1.00 23.04 C ATOM 138 CG1 VAL A 10 -3.625 3.857 -8.550 1.00 42.12 C ATOM 139 CG2 VAL A 10 -2.115 4.005 -6.515 1.00 54.41 C ATOM 0 H VAL A 10 0.083 3.541 -8.375 1.00 22.41 H new ATOM 0 HA VAL A 10 -1.814 5.341 -9.641 1.00 1.50 H new ATOM 0 HB VAL A 10 -3.048 5.632 -7.506 1.00 23.04 H new ATOM 0 HG11 VAL A 10 -4.479 3.668 -7.899 1.00 42.12 H new ATOM 0 HG12 VAL A 10 -3.956 4.402 -9.434 1.00 42.12 H new ATOM 0 HG13 VAL A 10 -3.182 2.908 -8.853 1.00 42.12 H new ATOM 0 HG21 VAL A 10 -2.972 3.824 -5.866 1.00 54.41 H new ATOM 0 HG22 VAL A 10 -1.640 3.056 -6.762 1.00 54.41 H new ATOM 0 HG23 VAL A 10 -1.399 4.646 -6.001 1.00 54.41 H new ATOM 149 N GLU A 11 -0.821 7.170 -8.057 1.00 53.03 N ATOM 150 CA GLU A 11 -0.163 8.168 -7.273 1.00 32.01 C ATOM 151 C GLU A 11 -1.209 8.689 -6.324 1.00 24.31 C ATOM 152 O GLU A 11 -2.338 8.941 -6.727 1.00 65.10 O ATOM 153 CB GLU A 11 0.355 9.344 -8.124 1.00 35.13 C ATOM 154 CG GLU A 11 -0.666 9.847 -9.148 1.00 63.21 C ATOM 155 CD GLU A 11 -0.130 11.103 -9.763 1.00 52.40 C ATOM 156 OE1 GLU A 11 0.958 11.046 -10.392 1.00 34.14 O ATOM 157 OE2 GLU A 11 -0.791 12.156 -9.622 1.00 24.01 O ATOM 0 H GLU A 11 -1.578 7.529 -8.639 1.00 53.03 H new ATOM 0 HA GLU A 11 0.704 7.733 -6.775 1.00 32.01 H new ATOM 0 HB2 GLU A 11 0.633 10.166 -7.464 1.00 35.13 H new ATOM 0 HB3 GLU A 11 1.260 9.034 -8.646 1.00 35.13 H new ATOM 0 HG2 GLU A 11 -0.839 9.092 -9.915 1.00 63.21 H new ATOM 0 HG3 GLU A 11 -1.625 10.038 -8.667 1.00 63.21 H new ATOM 164 N LEU A 12 -0.863 8.842 -5.043 1.00 52.32 N ATOM 165 CA LEU A 12 -1.812 9.393 -4.095 1.00 43.00 C ATOM 166 C LEU A 12 -1.107 10.367 -3.277 1.00 44.53 C ATOM 167 O LEU A 12 0.061 10.199 -2.947 1.00 20.00 O ATOM 168 CB LEU A 12 -2.453 8.390 -3.124 1.00 40.03 C ATOM 169 CG LEU A 12 -3.602 7.623 -3.740 1.00 65.24 C ATOM 170 CD1 LEU A 12 -3.149 6.320 -4.405 1.00 74.02 C ATOM 171 CD2 LEU A 12 -4.740 7.457 -2.737 1.00 11.53 C ATOM 0 H LEU A 12 0.047 8.596 -4.653 1.00 52.32 H new ATOM 0 HA LEU A 12 -2.621 9.800 -4.701 1.00 43.00 H new ATOM 0 HB2 LEU A 12 -1.694 7.686 -2.784 1.00 40.03 H new ATOM 0 HB3 LEU A 12 -2.810 8.923 -2.243 1.00 40.03 H new ATOM 0 HG LEU A 12 -4.006 8.213 -4.562 1.00 65.24 H new ATOM 0 HD11 LEU A 12 -4.013 5.809 -4.831 1.00 74.02 H new ATOM 0 HD12 LEU A 12 -2.434 6.545 -5.196 1.00 74.02 H new ATOM 0 HD13 LEU A 12 -2.677 5.677 -3.662 1.00 74.02 H new ATOM 0 HD21 LEU A 12 -5.556 6.903 -3.201 1.00 11.53 H new ATOM 0 HD22 LEU A 12 -4.380 6.911 -1.865 1.00 11.53 H new ATOM 0 HD23 LEU A 12 -5.098 8.439 -2.428 1.00 11.53 H new ATOM 183 N ALA A 13 -1.831 11.412 -2.899 1.00 43.43 N ATOM 184 CA ALA A 13 -1.296 12.394 -2.031 1.00 54.32 C ATOM 185 C ALA A 13 -1.561 11.890 -0.664 1.00 1.04 C ATOM 186 O ALA A 13 -2.586 11.297 -0.412 1.00 52.54 O ATOM 187 CB ALA A 13 -1.970 13.775 -2.159 1.00 31.23 C ATOM 0 H ALA A 13 -2.793 11.582 -3.194 1.00 43.43 H new ATOM 0 HA ALA A 13 -0.243 12.541 -2.271 1.00 54.32 H new ATOM 0 HB1 ALA A 13 -1.505 14.473 -1.462 1.00 31.23 H new ATOM 0 HB2 ALA A 13 -1.850 14.145 -3.177 1.00 31.23 H new ATOM 0 HB3 ALA A 13 -3.031 13.685 -1.928 1.00 31.23 H new ATOM 193 N LYS A 14 -0.617 12.107 0.234 1.00 10.33 N ATOM 194 CA LYS A 14 -0.801 11.764 1.628 1.00 73.11 C ATOM 195 C LYS A 14 -1.657 12.833 2.207 1.00 64.14 C ATOM 196 O LYS A 14 -2.497 12.584 3.073 1.00 51.54 O ATOM 197 CB LYS A 14 0.546 11.757 2.364 1.00 72.13 C ATOM 198 CG LYS A 14 1.426 10.607 1.875 1.00 62.35 C ATOM 199 CD LYS A 14 2.921 10.910 1.835 1.00 33.31 C ATOM 200 CE LYS A 14 3.590 11.136 3.191 1.00 3.04 C ATOM 201 NZ LYS A 14 5.048 11.236 2.994 1.00 14.14 N ATOM 0 H LYS A 14 0.289 12.522 0.018 1.00 10.33 H new ATOM 0 HA LYS A 14 -1.247 10.774 1.726 1.00 73.11 H new ATOM 0 HB2 LYS A 14 1.058 12.706 2.204 1.00 72.13 H new ATOM 0 HB3 LYS A 14 0.379 11.662 3.437 1.00 72.13 H new ATOM 0 HG2 LYS A 14 1.263 9.745 2.521 1.00 62.35 H new ATOM 0 HG3 LYS A 14 1.102 10.322 0.874 1.00 62.35 H new ATOM 0 HD2 LYS A 14 3.427 10.084 1.335 1.00 33.31 H new ATOM 0 HD3 LYS A 14 3.076 11.798 1.222 1.00 33.31 H new ATOM 0 HE2 LYS A 14 3.209 12.047 3.652 1.00 3.04 H new ATOM 0 HE3 LYS A 14 3.357 10.314 3.868 1.00 3.04 H new ATOM 0 HZ1 LYS A 14 5.508 11.441 3.904 1.00 14.14 H new ATOM 0 HZ2 LYS A 14 5.410 10.337 2.617 1.00 14.14 H new ATOM 0 HZ3 LYS A 14 5.256 12.002 2.321 1.00 14.14 H new ATOM 215 N ASN A 15 -1.455 14.049 1.669 1.00 4.41 N ATOM 216 CA ASN A 15 -2.114 15.258 2.089 1.00 21.32 C ATOM 217 C ASN A 15 -1.594 15.647 3.438 1.00 53.13 C ATOM 218 O ASN A 15 -1.607 14.860 4.366 1.00 65.34 O ATOM 219 CB ASN A 15 -3.676 15.205 2.106 1.00 15.11 C ATOM 220 CG ASN A 15 -4.223 16.601 2.393 1.00 32.24 C ATOM 221 OD1 ASN A 15 -4.918 16.818 3.385 1.00 52.10 O ATOM 222 ND2 ASN A 15 -3.918 17.564 1.521 1.00 3.11 N ATOM 0 H ASN A 15 -0.800 14.202 0.902 1.00 4.41 H new ATOM 0 HA ASN A 15 -1.877 16.007 1.333 1.00 21.32 H new ATOM 0 HB2 ASN A 15 -4.050 14.845 1.148 1.00 15.11 H new ATOM 0 HB3 ASN A 15 -4.020 14.503 2.866 1.00 15.11 H new ATOM 0 HD21 ASN A 15 -4.263 18.513 1.667 1.00 3.11 H new ATOM 0 HD22 ASN A 15 -3.339 17.352 0.708 1.00 3.11 H new ATOM 229 N ASP A 16 -1.109 16.901 3.569 1.00 14.01 N ATOM 230 CA ASP A 16 -0.694 17.439 4.874 1.00 43.21 C ATOM 231 C ASP A 16 0.429 16.559 5.446 1.00 60.11 C ATOM 232 O ASP A 16 0.542 16.366 6.657 1.00 62.34 O ATOM 233 CB ASP A 16 -1.898 17.536 5.868 1.00 0.42 C ATOM 234 CG ASP A 16 -1.482 18.214 7.145 1.00 74.02 C ATOM 235 OD1 ASP A 16 -0.985 19.365 7.081 1.00 33.54 O ATOM 236 OD2 ASP A 16 -1.649 17.599 8.220 1.00 34.30 O ATOM 0 H ASP A 16 -0.998 17.552 2.791 1.00 14.01 H new ATOM 0 HA ASP A 16 -0.322 18.454 4.734 1.00 43.21 H new ATOM 0 HB2 ASP A 16 -2.714 18.091 5.405 1.00 0.42 H new ATOM 0 HB3 ASP A 16 -2.276 16.537 6.087 1.00 0.42 H new ATOM 241 N ASN A 17 1.289 16.038 4.517 1.00 33.32 N ATOM 242 CA ASN A 17 2.472 15.164 4.804 1.00 62.30 C ATOM 243 C ASN A 17 2.123 13.901 5.611 1.00 74.13 C ATOM 244 O ASN A 17 2.964 13.027 5.786 1.00 31.20 O ATOM 245 CB ASN A 17 3.624 15.928 5.534 1.00 12.42 C ATOM 246 CG ASN A 17 4.927 15.107 5.472 1.00 3.25 C ATOM 247 OD1 ASN A 17 5.348 14.664 4.392 1.00 72.42 O ATOM 248 ND2 ASN A 17 5.588 14.908 6.624 1.00 52.01 N ATOM 0 H ASN A 17 1.175 16.220 3.520 1.00 33.32 H new ATOM 0 HA ASN A 17 2.816 14.854 3.817 1.00 62.30 H new ATOM 0 HB2 ASN A 17 3.776 16.902 5.069 1.00 12.42 H new ATOM 0 HB3 ASN A 17 3.349 16.110 6.573 1.00 12.42 H new ATOM 0 HD21 ASN A 17 6.461 14.380 6.627 1.00 52.01 H new ATOM 0 HD22 ASN A 17 5.217 15.285 7.496 1.00 52.01 H new ATOM 255 N SER A 18 0.910 13.787 6.126 1.00 31.43 N ATOM 256 CA SER A 18 0.616 12.771 7.080 1.00 1.52 C ATOM 257 C SER A 18 -0.051 11.642 6.378 1.00 20.03 C ATOM 258 O SER A 18 -1.004 11.836 5.627 1.00 70.12 O ATOM 259 CB SER A 18 -0.315 13.285 8.189 1.00 4.43 C ATOM 260 OG SER A 18 0.294 14.424 8.829 1.00 32.53 O ATOM 0 H SER A 18 0.124 14.393 5.889 1.00 31.43 H new ATOM 0 HA SER A 18 1.550 12.453 7.543 1.00 1.52 H new ATOM 0 HB2 SER A 18 -1.282 13.563 7.769 1.00 4.43 H new ATOM 0 HB3 SER A 18 -0.499 12.498 8.920 1.00 4.43 H new ATOM 0 HG SER A 18 0.378 15.156 8.183 1.00 32.53 H new ATOM 266 N LEU A 19 0.445 10.431 6.622 1.00 24.32 N ATOM 267 CA LEU A 19 -0.146 9.257 6.087 1.00 51.51 C ATOM 268 C LEU A 19 -0.185 8.361 7.244 1.00 71.51 C ATOM 269 O LEU A 19 0.764 8.335 8.026 1.00 25.21 O ATOM 270 CB LEU A 19 0.734 8.573 5.013 1.00 43.02 C ATOM 271 CG LEU A 19 0.033 7.466 4.190 1.00 0.02 C ATOM 272 CD1 LEU A 19 -1.154 8.004 3.360 1.00 42.12 C ATOM 273 CD2 LEU A 19 1.029 6.670 3.322 1.00 22.34 C ATOM 0 H LEU A 19 1.269 10.261 7.199 1.00 24.32 H new ATOM 0 HA LEU A 19 -1.102 9.483 5.615 1.00 51.51 H new ATOM 0 HB2 LEU A 19 1.100 9.337 4.326 1.00 43.02 H new ATOM 0 HB3 LEU A 19 1.606 8.141 5.503 1.00 43.02 H new ATOM 0 HG LEU A 19 -0.388 6.768 4.914 1.00 0.02 H new ATOM 0 HD11 LEU A 19 -1.609 7.185 2.802 1.00 42.12 H new ATOM 0 HD12 LEU A 19 -1.895 8.444 4.027 1.00 42.12 H new ATOM 0 HD13 LEU A 19 -0.797 8.763 2.664 1.00 42.12 H new ATOM 0 HD21 LEU A 19 0.492 5.904 2.762 1.00 22.34 H new ATOM 0 HD22 LEU A 19 1.527 7.346 2.627 1.00 22.34 H new ATOM 0 HD23 LEU A 19 1.773 6.197 3.963 1.00 22.34 H new ATOM 285 N GLY A 20 -1.247 7.630 7.413 1.00 33.31 N ATOM 286 CA GLY A 20 -1.323 6.756 8.540 1.00 63.13 C ATOM 287 C GLY A 20 -2.422 5.829 8.265 1.00 63.52 C ATOM 288 O GLY A 20 -3.416 5.790 8.986 1.00 44.24 O ATOM 0 H GLY A 20 -2.059 7.622 6.795 1.00 33.31 H new ATOM 0 HA2 GLY A 20 -0.385 6.218 8.679 1.00 63.13 H new ATOM 0 HA3 GLY A 20 -1.507 7.317 9.456 1.00 63.13 H new ATOM 292 N ILE A 21 -2.267 5.039 7.191 1.00 41.04 N ATOM 293 CA ILE A 21 -3.224 4.018 6.865 1.00 34.40 C ATOM 294 C ILE A 21 -2.744 2.804 7.625 1.00 74.32 C ATOM 295 O ILE A 21 -1.724 2.884 8.317 1.00 34.51 O ATOM 296 CB ILE A 21 -3.362 3.694 5.363 1.00 31.21 C ATOM 297 CG1 ILE A 21 -2.940 4.891 4.465 1.00 55.13 C ATOM 298 CG2 ILE A 21 -4.829 3.278 5.103 1.00 12.33 C ATOM 299 CD1 ILE A 21 -3.818 6.142 4.628 1.00 33.31 C ATOM 0 H ILE A 21 -1.481 5.103 6.545 1.00 41.04 H new ATOM 0 HA ILE A 21 -4.224 4.357 7.137 1.00 34.40 H new ATOM 0 HB ILE A 21 -2.688 2.878 5.101 1.00 31.21 H new ATOM 0 HG12 ILE A 21 -1.907 5.154 4.692 1.00 55.13 H new ATOM 0 HG13 ILE A 21 -2.967 4.575 3.422 1.00 55.13 H new ATOM 0 HG21 ILE A 21 -4.959 3.042 4.047 1.00 12.33 H new ATOM 0 HG22 ILE A 21 -5.070 2.401 5.703 1.00 12.33 H new ATOM 0 HG23 ILE A 21 -5.493 4.098 5.376 1.00 12.33 H new ATOM 0 HD11 ILE A 21 -3.456 6.929 3.967 1.00 33.31 H new ATOM 0 HD12 ILE A 21 -4.849 5.899 4.372 1.00 33.31 H new ATOM 0 HD13 ILE A 21 -3.772 6.486 5.661 1.00 33.31 H new ATOM 311 N CYS A 22 -3.461 1.670 7.557 1.00 12.43 N ATOM 312 CA CYS A 22 -2.989 0.527 8.349 1.00 75.01 C ATOM 313 C CYS A 22 -2.685 -0.538 7.348 1.00 2.30 C ATOM 314 O CYS A 22 -3.051 -0.432 6.184 1.00 13.41 O ATOM 315 CB CYS A 22 -4.101 -0.029 9.292 1.00 31.21 C ATOM 316 SG CYS A 22 -5.038 1.293 10.168 1.00 61.43 S ATOM 0 H CYS A 22 -4.307 1.524 7.006 1.00 12.43 H new ATOM 0 HA CYS A 22 -2.142 0.824 8.967 1.00 75.01 H new ATOM 0 HB2 CYS A 22 -4.796 -0.632 8.707 1.00 31.21 H new ATOM 0 HB3 CYS A 22 -3.646 -0.692 10.028 1.00 31.21 H new ATOM 321 N VAL A 23 -1.872 -1.519 7.754 1.00 35.40 N ATOM 322 CA VAL A 23 -1.338 -2.475 6.823 1.00 0.33 C ATOM 323 C VAL A 23 -1.100 -3.727 7.605 1.00 50.03 C ATOM 324 O VAL A 23 -1.247 -3.739 8.825 1.00 40.14 O ATOM 325 CB VAL A 23 -0.002 -2.048 6.192 1.00 60.23 C ATOM 326 CG1 VAL A 23 -0.281 -1.065 5.031 1.00 22.50 C ATOM 327 CG2 VAL A 23 0.932 -1.464 7.284 1.00 54.50 C ATOM 0 H VAL A 23 -1.580 -1.658 8.721 1.00 35.40 H new ATOM 0 HA VAL A 23 -2.046 -2.589 6.002 1.00 0.33 H new ATOM 0 HB VAL A 23 0.520 -2.906 5.767 1.00 60.23 H new ATOM 0 HG11 VAL A 23 0.662 -0.758 4.579 1.00 22.50 H new ATOM 0 HG12 VAL A 23 -0.900 -1.555 4.280 1.00 22.50 H new ATOM 0 HG13 VAL A 23 -0.802 -0.188 5.414 1.00 22.50 H new ATOM 0 HG21 VAL A 23 1.877 -1.163 6.832 1.00 54.50 H new ATOM 0 HG22 VAL A 23 0.457 -0.597 7.743 1.00 54.50 H new ATOM 0 HG23 VAL A 23 1.119 -2.221 8.046 1.00 54.50 H new ATOM 337 N THR A 24 -0.734 -4.812 6.910 1.00 15.34 N ATOM 338 CA THR A 24 -0.434 -6.036 7.576 1.00 43.03 C ATOM 339 C THR A 24 0.231 -6.914 6.555 1.00 3.22 C ATOM 340 O THR A 24 0.226 -6.594 5.369 1.00 61.30 O ATOM 341 CB THR A 24 -1.685 -6.723 8.140 1.00 3.45 C ATOM 342 OG1 THR A 24 -1.356 -7.800 9.017 1.00 25.04 O ATOM 343 CG2 THR A 24 -2.615 -7.202 6.992 1.00 21.25 C ATOM 0 H THR A 24 -0.646 -4.844 5.894 1.00 15.34 H new ATOM 0 HA THR A 24 0.209 -5.845 8.435 1.00 43.03 H new ATOM 0 HB THR A 24 -2.223 -5.983 8.732 1.00 3.45 H new ATOM 0 HG1 THR A 24 -2.061 -8.480 8.979 1.00 25.04 H new ATOM 0 HG21 THR A 24 -3.495 -7.686 7.415 1.00 21.25 H new ATOM 0 HG22 THR A 24 -2.924 -6.346 6.393 1.00 21.25 H new ATOM 0 HG23 THR A 24 -2.079 -7.911 6.361 1.00 21.25 H new ATOM 351 N GLY A 25 0.786 -8.058 6.999 1.00 41.20 N ATOM 352 CA GLY A 25 1.354 -9.022 6.086 1.00 65.44 C ATOM 353 C GLY A 25 2.800 -8.743 5.893 1.00 63.41 C ATOM 354 O GLY A 25 3.501 -8.309 6.817 1.00 25.43 O ATOM 0 H GLY A 25 0.845 -8.321 7.983 1.00 41.20 H new ATOM 0 HA2 GLY A 25 1.218 -10.030 6.477 1.00 65.44 H new ATOM 0 HA3 GLY A 25 0.835 -8.979 5.128 1.00 65.44 H new ATOM 358 N GLY A 26 3.288 -8.998 4.654 1.00 32.43 N ATOM 359 CA GLY A 26 4.649 -8.699 4.308 1.00 11.34 C ATOM 360 C GLY A 26 5.401 -9.977 4.172 1.00 61.23 C ATOM 361 O GLY A 26 5.669 -10.440 3.063 1.00 31.31 O ATOM 0 H GLY A 26 2.740 -9.409 3.898 1.00 32.43 H new ATOM 0 HA2 GLY A 26 4.687 -8.138 3.374 1.00 11.34 H new ATOM 0 HA3 GLY A 26 5.105 -8.073 5.075 1.00 11.34 H new ATOM 365 N VAL A 27 5.800 -10.562 5.327 1.00 61.45 N ATOM 366 CA VAL A 27 6.811 -11.619 5.371 1.00 34.33 C ATOM 367 C VAL A 27 6.253 -12.975 4.933 1.00 44.32 C ATOM 368 O VAL A 27 6.865 -13.997 5.197 1.00 1.54 O ATOM 369 CB VAL A 27 7.472 -11.767 6.743 1.00 32.31 C ATOM 370 CG1 VAL A 27 8.994 -11.862 6.514 1.00 72.02 C ATOM 371 CG2 VAL A 27 7.058 -10.578 7.644 1.00 24.43 C ATOM 0 H VAL A 27 5.427 -10.309 6.242 1.00 61.45 H new ATOM 0 HA VAL A 27 7.574 -11.300 4.661 1.00 34.33 H new ATOM 0 HB VAL A 27 7.149 -12.669 7.263 1.00 32.31 H new ATOM 0 HG11 VAL A 27 9.500 -11.969 7.473 1.00 72.02 H new ATOM 0 HG12 VAL A 27 9.215 -12.727 5.889 1.00 72.02 H new ATOM 0 HG13 VAL A 27 9.344 -10.957 6.017 1.00 72.02 H new ATOM 0 HG21 VAL A 27 7.528 -10.682 8.622 1.00 24.43 H new ATOM 0 HG22 VAL A 27 7.380 -9.644 7.184 1.00 24.43 H new ATOM 0 HG23 VAL A 27 5.974 -10.570 7.761 1.00 24.43 H new ATOM 381 N ASN A 28 5.081 -12.982 4.273 1.00 31.45 N ATOM 382 CA ASN A 28 4.420 -14.218 3.741 1.00 0.14 C ATOM 383 C ASN A 28 3.602 -14.842 4.817 1.00 14.44 C ATOM 384 O ASN A 28 3.017 -15.916 4.606 1.00 4.25 O ATOM 385 CB ASN A 28 5.335 -15.322 3.114 1.00 22.35 C ATOM 386 CG ASN A 28 6.015 -14.754 1.883 1.00 54.20 C ATOM 387 OD1 ASN A 28 5.350 -14.375 0.919 1.00 4.35 O ATOM 388 ND2 ASN A 28 7.357 -14.687 1.898 1.00 4.32 N ATOM 0 H ASN A 28 4.551 -12.131 4.085 1.00 31.45 H new ATOM 0 HA ASN A 28 3.831 -13.846 2.903 1.00 0.14 H new ATOM 0 HB2 ASN A 28 6.080 -15.651 3.839 1.00 22.35 H new ATOM 0 HB3 ASN A 28 4.742 -16.197 2.847 1.00 22.35 H new ATOM 0 HD21 ASN A 28 7.858 -14.312 1.092 1.00 4.32 H new ATOM 0 HD22 ASN A 28 7.875 -15.011 2.715 1.00 4.32 H new ATOM 395 N THR A 29 3.507 -14.132 5.965 1.00 23.23 N ATOM 396 CA THR A 29 2.537 -14.367 7.048 1.00 53.34 C ATOM 397 C THR A 29 1.092 -14.552 6.511 1.00 64.11 C ATOM 398 O THR A 29 0.872 -14.762 5.334 1.00 32.12 O ATOM 399 CB THR A 29 2.572 -13.269 8.111 1.00 14.53 C ATOM 400 OG1 THR A 29 2.306 -11.986 7.527 1.00 13.03 O ATOM 401 CG2 THR A 29 3.985 -13.254 8.721 1.00 71.42 C ATOM 0 H THR A 29 4.131 -13.350 6.165 1.00 23.23 H new ATOM 0 HA THR A 29 2.843 -15.299 7.522 1.00 53.34 H new ATOM 0 HB THR A 29 1.812 -13.468 8.867 1.00 14.53 H new ATOM 0 HG1 THR A 29 2.331 -11.298 8.224 1.00 13.03 H new ATOM 0 HG21 THR A 29 4.043 -12.479 9.485 1.00 71.42 H new ATOM 0 HG22 THR A 29 4.197 -14.224 9.171 1.00 71.42 H new ATOM 0 HG23 THR A 29 4.717 -13.048 7.940 1.00 71.42 H new ATOM 409 N SER A 30 0.094 -14.541 7.439 1.00 74.53 N ATOM 410 CA SER A 30 -1.336 -14.808 7.181 1.00 12.05 C ATOM 411 C SER A 30 -1.821 -14.294 5.818 1.00 23.24 C ATOM 412 O SER A 30 -2.655 -14.931 5.176 1.00 55.03 O ATOM 413 CB SER A 30 -2.215 -14.175 8.270 1.00 1.13 C ATOM 414 OG SER A 30 -1.666 -14.467 9.564 1.00 32.24 O ATOM 0 H SER A 30 0.279 -14.338 8.421 1.00 74.53 H new ATOM 0 HA SER A 30 -1.429 -15.894 7.186 1.00 12.05 H new ATOM 0 HB2 SER A 30 -2.272 -13.096 8.123 1.00 1.13 H new ATOM 0 HB3 SER A 30 -3.232 -14.561 8.200 1.00 1.13 H new ATOM 0 HG SER A 30 -2.227 -14.061 10.257 1.00 32.24 H new ATOM 420 N VAL A 31 -1.291 -13.138 5.357 1.00 74.23 N ATOM 421 CA VAL A 31 -1.659 -12.576 4.080 1.00 64.14 C ATOM 422 C VAL A 31 -1.349 -13.576 2.951 1.00 41.31 C ATOM 423 O VAL A 31 -0.203 -13.932 2.682 1.00 21.12 O ATOM 424 CB VAL A 31 -0.969 -11.267 3.801 1.00 2.14 C ATOM 425 CG1 VAL A 31 -1.610 -10.199 4.714 1.00 41.21 C ATOM 426 CG2 VAL A 31 0.565 -11.432 4.026 1.00 40.44 C ATOM 0 H VAL A 31 -0.603 -12.588 5.871 1.00 74.23 H new ATOM 0 HA VAL A 31 -2.730 -12.377 4.119 1.00 64.14 H new ATOM 0 HB VAL A 31 -1.093 -10.948 2.766 1.00 2.14 H new ATOM 0 HG11 VAL A 31 -1.132 -9.235 4.537 1.00 41.21 H new ATOM 0 HG12 VAL A 31 -2.675 -10.122 4.493 1.00 41.21 H new ATOM 0 HG13 VAL A 31 -1.476 -10.484 5.757 1.00 41.21 H new ATOM 0 HG21 VAL A 31 1.066 -10.485 3.824 1.00 40.44 H new ATOM 0 HG22 VAL A 31 0.752 -11.729 5.058 1.00 40.44 H new ATOM 0 HG23 VAL A 31 0.951 -12.197 3.353 1.00 40.44 H new ATOM 436 N ARG A 32 -2.422 -14.060 2.321 1.00 34.04 N ATOM 437 CA ARG A 32 -2.363 -15.092 1.288 1.00 61.43 C ATOM 438 C ARG A 32 -1.302 -14.803 0.229 1.00 53.24 C ATOM 439 O ARG A 32 -0.389 -15.604 0.026 1.00 71.41 O ATOM 440 CB ARG A 32 -3.720 -15.323 0.608 1.00 73.42 C ATOM 441 CG ARG A 32 -4.848 -15.473 1.645 1.00 2.13 C ATOM 442 CD ARG A 32 -6.170 -16.015 1.076 1.00 14.24 C ATOM 443 NE ARG A 32 -5.901 -17.367 0.477 1.00 43.45 N ATOM 444 CZ ARG A 32 -5.657 -18.480 1.258 1.00 35.01 C ATOM 445 NH1 ARG A 32 -5.743 -18.397 2.626 1.00 32.32 N ATOM 446 NH2 ARG A 32 -5.323 -19.658 0.660 1.00 43.11 N ATOM 0 H ARG A 32 -3.370 -13.740 2.519 1.00 34.04 H new ATOM 0 HA ARG A 32 -2.082 -16.004 1.814 1.00 61.43 H new ATOM 0 HB2 ARG A 32 -3.943 -14.488 -0.056 1.00 73.42 H new ATOM 0 HB3 ARG A 32 -3.671 -16.219 -0.011 1.00 73.42 H new ATOM 0 HG2 ARG A 32 -4.509 -16.139 2.438 1.00 2.13 H new ATOM 0 HG3 ARG A 32 -5.035 -14.502 2.102 1.00 2.13 H new ATOM 0 HD2 ARG A 32 -6.921 -16.090 1.863 1.00 14.24 H new ATOM 0 HD3 ARG A 32 -6.566 -15.336 0.321 1.00 14.24 H new ATOM 0 HE ARG A 32 -5.899 -17.466 -0.538 1.00 43.45 H new ATOM 0 HH11 ARG A 32 -5.988 -17.511 3.069 1.00 32.32 H new ATOM 0 HH12 ARG A 32 -5.562 -19.221 3.199 1.00 32.32 H new ATOM 0 HH21 ARG A 32 -5.255 -19.713 -0.356 1.00 43.11 H new ATOM 0 HH22 ARG A 32 -5.141 -20.485 1.229 1.00 43.11 H new ATOM 460 N HIS A 33 -1.406 -13.644 -0.470 1.00 43.10 N ATOM 461 CA HIS A 33 -0.528 -13.361 -1.620 1.00 41.31 C ATOM 462 C HIS A 33 0.894 -13.137 -1.146 1.00 52.33 C ATOM 463 O HIS A 33 1.820 -13.289 -1.914 1.00 25.40 O ATOM 464 CB HIS A 33 -0.978 -12.109 -2.426 1.00 25.24 C ATOM 465 CG HIS A 33 -0.297 -11.911 -3.778 1.00 44.35 C ATOM 466 ND1 HIS A 33 0.954 -11.349 -3.929 1.00 12.50 N ATOM 467 CD2 HIS A 33 -0.763 -12.161 -5.023 1.00 64.34 C ATOM 468 CE1 HIS A 33 1.214 -11.263 -5.230 1.00 50.52 C ATOM 469 NE2 HIS A 33 0.190 -11.754 -5.904 1.00 51.11 N ATOM 0 H HIS A 33 -2.078 -12.907 -0.258 1.00 43.10 H new ATOM 0 HA HIS A 33 -0.589 -14.229 -2.276 1.00 41.31 H new ATOM 0 HB2 HIS A 33 -2.054 -12.172 -2.588 1.00 25.24 H new ATOM 0 HB3 HIS A 33 -0.798 -11.223 -1.816 1.00 25.24 H new ATOM 0 HD1 HIS A 33 1.572 -11.051 -3.174 1.00 12.50 H new ATOM 0 HD2 HIS A 33 -1.717 -12.603 -5.272 1.00 64.34 H new ATOM 0 HE1 HIS A 33 2.116 -10.858 -5.665 1.00 50.52 H new ATOM 478 N GLY A 34 1.106 -12.799 0.146 1.00 40.43 N ATOM 479 CA GLY A 34 2.468 -12.660 0.651 1.00 40.23 C ATOM 480 C GLY A 34 2.949 -11.298 0.281 1.00 71.24 C ATOM 481 O GLY A 34 3.997 -11.130 -0.326 1.00 64.53 O ATOM 0 H GLY A 34 0.370 -12.625 0.830 1.00 40.43 H new ATOM 0 HA2 GLY A 34 2.491 -12.793 1.733 1.00 40.23 H new ATOM 0 HA3 GLY A 34 3.116 -13.425 0.222 1.00 40.23 H new ATOM 485 N GLY A 35 2.164 -10.298 0.628 1.00 74.04 N ATOM 486 CA GLY A 35 2.461 -8.950 0.276 1.00 22.12 C ATOM 487 C GLY A 35 1.885 -8.186 1.377 1.00 62.34 C ATOM 488 O GLY A 35 1.325 -8.777 2.296 1.00 50.24 O ATOM 0 H GLY A 35 1.303 -10.412 1.163 1.00 74.04 H new ATOM 0 HA2 GLY A 35 3.535 -8.784 0.188 1.00 22.12 H new ATOM 0 HA3 GLY A 35 2.017 -8.676 -0.681 1.00 22.12 H new ATOM 492 N ILE A 36 2.004 -6.869 1.340 1.00 62.34 N ATOM 493 CA ILE A 36 1.444 -6.061 2.365 1.00 71.04 C ATOM 494 C ILE A 36 0.086 -5.782 1.932 1.00 21.21 C ATOM 495 O ILE A 36 -0.128 -5.368 0.811 1.00 35.10 O ATOM 496 CB ILE A 36 2.196 -4.773 2.555 1.00 24.11 C ATOM 497 CG1 ILE A 36 3.483 -5.105 3.236 1.00 30.23 C ATOM 498 CG2 ILE A 36 1.351 -3.753 3.355 1.00 73.20 C ATOM 499 CD1 ILE A 36 3.280 -5.520 4.668 1.00 34.31 C ATOM 0 H ILE A 36 2.487 -6.354 0.604 1.00 62.34 H new ATOM 0 HA ILE A 36 1.488 -6.576 3.325 1.00 71.04 H new ATOM 0 HB ILE A 36 2.405 -4.298 1.597 1.00 24.11 H new ATOM 0 HG12 ILE A 36 3.982 -5.909 2.694 1.00 30.23 H new ATOM 0 HG13 ILE A 36 4.144 -4.239 3.201 1.00 30.23 H new ATOM 0 HG21 ILE A 36 1.917 -2.830 3.479 1.00 73.20 H new ATOM 0 HG22 ILE A 36 0.428 -3.543 2.815 1.00 73.20 H new ATOM 0 HG23 ILE A 36 1.113 -4.167 4.335 1.00 73.20 H new ATOM 0 HD11 ILE A 36 4.245 -5.751 5.120 1.00 34.31 H new ATOM 0 HD12 ILE A 36 2.807 -4.707 5.219 1.00 34.31 H new ATOM 0 HD13 ILE A 36 2.642 -6.403 4.704 1.00 34.31 H new ATOM 511 N TYR A 37 -0.876 -6.047 2.799 1.00 51.32 N ATOM 512 CA TYR A 37 -2.263 -5.840 2.453 1.00 34.10 C ATOM 513 C TYR A 37 -2.663 -4.656 3.216 1.00 52.24 C ATOM 514 O TYR A 37 -2.102 -4.381 4.287 1.00 44.31 O ATOM 515 CB TYR A 37 -3.233 -6.971 2.937 1.00 11.14 C ATOM 516 CG TYR A 37 -3.248 -8.138 1.979 1.00 75.21 C ATOM 517 CD1 TYR A 37 -2.053 -8.761 1.537 1.00 22.41 C ATOM 518 CD2 TYR A 37 -4.490 -8.669 1.550 1.00 15.20 C ATOM 519 CE1 TYR A 37 -2.110 -9.889 0.698 1.00 45.11 C ATOM 520 CE2 TYR A 37 -4.540 -9.791 0.719 1.00 13.35 C ATOM 521 CZ TYR A 37 -3.359 -10.412 0.302 1.00 54.33 C ATOM 522 OH TYR A 37 -3.416 -11.563 -0.497 1.00 64.32 O ATOM 0 H TYR A 37 -0.719 -6.404 3.742 1.00 51.32 H new ATOM 0 HA TYR A 37 -2.332 -5.782 1.367 1.00 34.10 H new ATOM 0 HB2 TYR A 37 -2.928 -7.315 3.925 1.00 11.14 H new ATOM 0 HB3 TYR A 37 -4.241 -6.569 3.037 1.00 11.14 H new ATOM 0 HD1 TYR A 37 -1.096 -8.368 1.846 1.00 22.41 H new ATOM 0 HD2 TYR A 37 -5.409 -8.201 1.869 1.00 15.20 H new ATOM 0 HE1 TYR A 37 -1.197 -10.355 0.357 1.00 45.11 H new ATOM 0 HE2 TYR A 37 -5.495 -10.180 0.398 1.00 13.35 H new ATOM 0 HH TYR A 37 -4.352 -11.790 -0.678 1.00 64.32 H new ATOM 532 N VAL A 38 -3.676 -3.941 2.728 1.00 44.20 N ATOM 533 CA VAL A 38 -4.233 -2.893 3.497 1.00 72.14 C ATOM 534 C VAL A 38 -5.295 -3.556 4.359 1.00 45.13 C ATOM 535 O VAL A 38 -6.392 -3.881 3.896 1.00 33.20 O ATOM 536 CB VAL A 38 -4.861 -1.815 2.628 1.00 50.12 C ATOM 537 CG1 VAL A 38 -5.415 -0.703 3.530 1.00 53.01 C ATOM 538 CG2 VAL A 38 -3.776 -1.303 1.647 1.00 52.10 C ATOM 0 H VAL A 38 -4.105 -4.085 1.814 1.00 44.20 H new ATOM 0 HA VAL A 38 -3.464 -2.391 4.084 1.00 72.14 H new ATOM 0 HB VAL A 38 -5.697 -2.199 2.043 1.00 50.12 H new ATOM 0 HG11 VAL A 38 -5.867 0.074 2.914 1.00 53.01 H new ATOM 0 HG12 VAL A 38 -6.168 -1.119 4.200 1.00 53.01 H new ATOM 0 HG13 VAL A 38 -4.604 -0.274 4.118 1.00 53.01 H new ATOM 0 HG21 VAL A 38 -4.199 -0.527 1.009 1.00 52.10 H new ATOM 0 HG22 VAL A 38 -2.939 -0.892 2.212 1.00 52.10 H new ATOM 0 HG23 VAL A 38 -3.425 -2.129 1.029 1.00 52.10 H new ATOM 548 N LYS A 39 -4.934 -3.781 5.644 1.00 53.41 N ATOM 549 CA LYS A 39 -5.826 -4.472 6.583 1.00 44.11 C ATOM 550 C LYS A 39 -6.972 -3.562 6.933 1.00 33.53 C ATOM 551 O LYS A 39 -8.054 -4.026 7.259 1.00 1.12 O ATOM 552 CB LYS A 39 -5.144 -4.899 7.932 1.00 65.54 C ATOM 553 CG LYS A 39 -5.942 -6.006 8.687 1.00 3.12 C ATOM 554 CD LYS A 39 -5.630 -6.141 10.198 1.00 35.33 C ATOM 555 CE LYS A 39 -4.358 -6.930 10.558 1.00 74.02 C ATOM 556 NZ LYS A 39 -4.443 -8.344 10.116 1.00 64.34 N ATOM 0 H LYS A 39 -4.040 -3.495 6.044 1.00 53.41 H new ATOM 0 HA LYS A 39 -6.143 -5.381 6.072 1.00 44.11 H new ATOM 0 HB2 LYS A 39 -4.136 -5.260 7.726 1.00 65.54 H new ATOM 0 HB3 LYS A 39 -5.044 -4.025 8.576 1.00 65.54 H new ATOM 0 HG2 LYS A 39 -7.007 -5.805 8.570 1.00 3.12 H new ATOM 0 HG3 LYS A 39 -5.744 -6.964 8.206 1.00 3.12 H new ATOM 0 HD2 LYS A 39 -5.545 -5.140 10.622 1.00 35.33 H new ATOM 0 HD3 LYS A 39 -6.480 -6.621 10.683 1.00 35.33 H new ATOM 0 HE2 LYS A 39 -3.493 -6.456 10.095 1.00 74.02 H new ATOM 0 HE3 LYS A 39 -4.201 -6.895 11.636 1.00 74.02 H new ATOM 0 HZ1 LYS A 39 -3.606 -8.863 10.450 1.00 64.34 H new ATOM 0 HZ2 LYS A 39 -5.301 -8.780 10.510 1.00 64.34 H new ATOM 0 HZ3 LYS A 39 -4.482 -8.381 9.077 1.00 64.34 H new ATOM 570 N ALA A 40 -6.768 -2.257 6.846 1.00 63.31 N ATOM 571 CA ALA A 40 -7.818 -1.357 7.200 1.00 2.22 C ATOM 572 C ALA A 40 -7.509 -0.104 6.517 1.00 1.13 C ATOM 573 O ALA A 40 -6.346 0.270 6.403 1.00 2.44 O ATOM 574 CB ALA A 40 -7.913 -1.054 8.707 1.00 64.45 C ATOM 0 H ALA A 40 -5.900 -1.819 6.539 1.00 63.31 H new ATOM 0 HA ALA A 40 -8.768 -1.812 6.918 1.00 2.22 H new ATOM 0 HB1 ALA A 40 -8.736 -0.363 8.888 1.00 64.45 H new ATOM 0 HB2 ALA A 40 -8.090 -1.980 9.254 1.00 64.45 H new ATOM 0 HB3 ALA A 40 -6.980 -0.604 9.047 1.00 64.45 H new ATOM 580 N VAL A 41 -8.541 0.586 6.037 1.00 1.12 N ATOM 581 CA VAL A 41 -8.361 1.858 5.435 1.00 62.12 C ATOM 582 C VAL A 41 -8.975 2.776 6.422 1.00 51.52 C ATOM 583 O VAL A 41 -10.127 2.566 6.829 1.00 13.10 O ATOM 584 CB VAL A 41 -9.104 1.999 4.102 1.00 43.50 C ATOM 585 CG1 VAL A 41 -8.882 3.414 3.522 1.00 34.53 C ATOM 586 CG2 VAL A 41 -8.605 0.903 3.156 1.00 43.22 C ATOM 0 H VAL A 41 -9.508 0.263 6.065 1.00 1.12 H new ATOM 0 HA VAL A 41 -7.312 2.047 5.209 1.00 62.12 H new ATOM 0 HB VAL A 41 -10.178 1.877 4.241 1.00 43.50 H new ATOM 0 HG11 VAL A 41 -9.413 3.506 2.575 1.00 34.53 H new ATOM 0 HG12 VAL A 41 -9.259 4.158 4.224 1.00 34.53 H new ATOM 0 HG13 VAL A 41 -7.817 3.577 3.358 1.00 34.53 H new ATOM 0 HG21 VAL A 41 -9.122 0.985 2.200 1.00 43.22 H new ATOM 0 HG22 VAL A 41 -7.532 1.018 3.000 1.00 43.22 H new ATOM 0 HG23 VAL A 41 -8.805 -0.075 3.594 1.00 43.22 H new ATOM 596 N ILE A 42 -8.236 3.789 6.870 1.00 72.33 N ATOM 597 CA ILE A 42 -8.787 4.741 7.785 1.00 71.42 C ATOM 598 C ILE A 42 -9.675 5.652 6.956 1.00 63.33 C ATOM 599 O ILE A 42 -9.429 5.865 5.774 1.00 44.22 O ATOM 600 CB ILE A 42 -7.727 5.515 8.548 1.00 45.44 C ATOM 601 CG1 ILE A 42 -6.558 5.984 7.658 1.00 2.04 C ATOM 602 CG2 ILE A 42 -7.236 4.658 9.664 1.00 70.12 C ATOM 603 CD1 ILE A 42 -6.935 7.145 6.847 1.00 73.54 C ATOM 0 H ILE A 42 -7.265 3.957 6.607 1.00 72.33 H new ATOM 0 HA ILE A 42 -9.356 4.234 8.564 1.00 71.42 H new ATOM 0 HB ILE A 42 -8.182 6.427 8.934 1.00 45.44 H new ATOM 0 HG12 ILE A 42 -5.702 6.238 8.283 1.00 2.04 H new ATOM 0 HG13 ILE A 42 -6.246 5.169 7.006 1.00 2.04 H new ATOM 0 HG21 ILE A 42 -6.472 5.195 10.226 1.00 70.12 H new ATOM 0 HG22 ILE A 42 -8.067 4.410 10.325 1.00 70.12 H new ATOM 0 HG23 ILE A 42 -6.809 3.741 9.258 1.00 70.12 H new ATOM 0 HD11 ILE A 42 -6.088 7.450 6.232 1.00 73.54 H new ATOM 0 HD12 ILE A 42 -7.775 6.882 6.204 1.00 73.54 H new ATOM 0 HD13 ILE A 42 -7.223 7.968 7.501 1.00 73.54 H new ATOM 615 N PRO A 43 -10.779 6.126 7.542 1.00 61.31 N ATOM 616 CA PRO A 43 -11.747 6.900 6.804 1.00 4.13 C ATOM 617 C PRO A 43 -11.175 8.248 6.685 1.00 63.40 C ATOM 618 O PRO A 43 -10.159 8.522 7.350 1.00 4.31 O ATOM 619 CB PRO A 43 -12.937 6.990 7.755 1.00 14.31 C ATOM 620 CG PRO A 43 -12.252 7.066 9.117 1.00 74.33 C ATOM 621 CD PRO A 43 -11.132 6.014 8.972 1.00 33.33 C ATOM 0 HA PRO A 43 -12.007 6.492 5.827 1.00 4.13 H new ATOM 0 HB2 PRO A 43 -13.551 7.869 7.558 1.00 14.31 H new ATOM 0 HB3 PRO A 43 -13.590 6.121 7.675 1.00 14.31 H new ATOM 0 HG2 PRO A 43 -11.854 8.061 9.319 1.00 74.33 H new ATOM 0 HG3 PRO A 43 -12.935 6.825 9.931 1.00 74.33 H new ATOM 0 HD2 PRO A 43 -10.282 6.233 9.619 1.00 33.33 H new ATOM 0 HD3 PRO A 43 -11.479 5.013 9.228 1.00 33.33 H new ATOM 629 N GLN A 44 -11.844 9.130 5.936 1.00 20.23 N ATOM 630 CA GLN A 44 -11.621 10.553 6.035 1.00 4.22 C ATOM 631 C GLN A 44 -10.257 10.969 5.506 1.00 2.43 C ATOM 632 O GLN A 44 -10.013 12.151 5.289 1.00 44.42 O ATOM 633 CB GLN A 44 -11.841 11.080 7.482 1.00 73.42 C ATOM 634 CG GLN A 44 -13.315 11.084 7.897 1.00 44.23 C ATOM 635 CD GLN A 44 -13.373 11.530 9.345 1.00 11.51 C ATOM 636 OE1 GLN A 44 -13.233 10.713 10.258 1.00 32.32 O ATOM 637 NE2 GLN A 44 -13.557 12.836 9.571 1.00 12.30 N ATOM 0 H GLN A 44 -12.551 8.866 5.250 1.00 20.23 H new ATOM 0 HA GLN A 44 -12.370 11.018 5.394 1.00 4.22 H new ATOM 0 HB2 GLN A 44 -11.274 10.462 8.178 1.00 73.42 H new ATOM 0 HB3 GLN A 44 -11.444 12.092 7.559 1.00 73.42 H new ATOM 0 HG2 GLN A 44 -13.891 11.759 7.264 1.00 44.23 H new ATOM 0 HG3 GLN A 44 -13.749 10.091 7.783 1.00 44.23 H new ATOM 0 HE21 GLN A 44 -13.669 13.479 8.787 1.00 12.30 H new ATOM 0 HE22 GLN A 44 -13.586 13.189 10.528 1.00 12.30 H new ATOM 646 N GLY A 45 -9.379 10.023 5.261 1.00 23.31 N ATOM 647 CA GLY A 45 -8.034 10.324 4.856 1.00 65.41 C ATOM 648 C GLY A 45 -7.983 10.321 3.376 1.00 45.32 C ATOM 649 O GLY A 45 -8.994 10.109 2.699 1.00 30.01 O ATOM 0 H GLY A 45 -9.581 9.026 5.338 1.00 23.31 H new ATOM 0 HA2 GLY A 45 -7.729 11.296 5.245 1.00 65.41 H new ATOM 0 HA3 GLY A 45 -7.341 9.587 5.261 1.00 65.41 H new ATOM 653 N ALA A 46 -6.762 10.542 2.843 1.00 52.31 N ATOM 654 CA ALA A 46 -6.542 10.675 1.411 1.00 42.42 C ATOM 655 C ALA A 46 -6.902 9.376 0.761 1.00 61.13 C ATOM 656 O ALA A 46 -7.682 9.338 -0.146 1.00 12.22 O ATOM 657 CB ALA A 46 -5.079 10.984 1.048 1.00 21.13 C ATOM 0 H ALA A 46 -5.913 10.631 3.402 1.00 52.31 H new ATOM 0 HA ALA A 46 -7.155 11.507 1.066 1.00 42.42 H new ATOM 0 HB1 ALA A 46 -4.983 11.071 -0.034 1.00 21.13 H new ATOM 0 HB2 ALA A 46 -4.778 11.922 1.515 1.00 21.13 H new ATOM 0 HB3 ALA A 46 -4.437 10.179 1.406 1.00 21.13 H new ATOM 663 N ALA A 47 -6.319 8.280 1.267 1.00 42.44 N ATOM 664 CA ALA A 47 -6.503 6.944 0.679 1.00 45.11 C ATOM 665 C ALA A 47 -7.991 6.620 0.529 1.00 15.51 C ATOM 666 O ALA A 47 -8.434 6.234 -0.552 1.00 12.31 O ATOM 667 CB ALA A 47 -5.854 5.837 1.536 1.00 52.14 C ATOM 0 H ALA A 47 -5.712 8.292 2.087 1.00 42.44 H new ATOM 0 HA ALA A 47 -6.017 6.968 -0.296 1.00 45.11 H new ATOM 0 HB1 ALA A 47 -6.016 4.869 1.063 1.00 52.14 H new ATOM 0 HB2 ALA A 47 -4.784 6.024 1.623 1.00 52.14 H new ATOM 0 HB3 ALA A 47 -6.304 5.835 2.529 1.00 52.14 H new ATOM 673 N GLU A 48 -8.785 6.812 1.597 1.00 61.11 N ATOM 674 CA GLU A 48 -10.228 6.557 1.540 1.00 32.51 C ATOM 675 C GLU A 48 -10.883 7.506 0.543 1.00 65.43 C ATOM 676 O GLU A 48 -11.613 7.076 -0.362 1.00 71.42 O ATOM 677 CB GLU A 48 -10.909 6.778 2.915 1.00 42.31 C ATOM 678 CG GLU A 48 -12.433 6.590 2.907 1.00 50.23 C ATOM 679 CD GLU A 48 -12.752 5.155 2.561 1.00 24.04 C ATOM 680 OE1 GLU A 48 -12.360 4.254 3.315 1.00 54.45 O ATOM 681 OE2 GLU A 48 -13.434 4.921 1.542 1.00 74.55 O ATOM 0 H GLU A 48 -8.451 7.141 2.503 1.00 61.11 H new ATOM 0 HA GLU A 48 -10.355 5.517 1.239 1.00 32.51 H new ATOM 0 HB2 GLU A 48 -10.474 6.087 3.637 1.00 42.31 H new ATOM 0 HB3 GLU A 48 -10.682 7.786 3.261 1.00 42.31 H new ATOM 0 HG2 GLU A 48 -12.848 6.843 3.883 1.00 50.23 H new ATOM 0 HG3 GLU A 48 -12.891 7.262 2.182 1.00 50.23 H new ATOM 688 N SER A 49 -10.652 8.830 0.720 1.00 60.42 N ATOM 689 CA SER A 49 -11.335 9.866 -0.061 1.00 72.55 C ATOM 690 C SER A 49 -11.022 9.672 -1.533 1.00 4.41 C ATOM 691 O SER A 49 -11.855 9.927 -2.406 1.00 64.31 O ATOM 692 CB SER A 49 -10.873 11.302 0.353 1.00 21.33 C ATOM 693 OG SER A 49 -11.690 12.318 -0.249 1.00 0.23 O ATOM 0 H SER A 49 -9.991 9.198 1.404 1.00 60.42 H new ATOM 0 HA SER A 49 -12.404 9.774 0.130 1.00 72.55 H new ATOM 0 HB2 SER A 49 -10.913 11.398 1.438 1.00 21.33 H new ATOM 0 HB3 SER A 49 -9.834 11.449 0.058 1.00 21.33 H new ATOM 0 HG SER A 49 -11.374 13.202 0.033 1.00 0.23 H new ATOM 699 N ASP A 50 -9.811 9.200 -1.815 1.00 34.03 N ATOM 700 CA ASP A 50 -9.331 9.065 -3.163 1.00 44.31 C ATOM 701 C ASP A 50 -9.984 7.835 -3.753 1.00 33.31 C ATOM 702 O ASP A 50 -10.495 7.856 -4.873 1.00 33.30 O ATOM 703 CB ASP A 50 -7.797 8.886 -3.198 1.00 22.22 C ATOM 704 CG ASP A 50 -7.301 9.110 -4.596 1.00 60.24 C ATOM 705 OD1 ASP A 50 -7.689 8.358 -5.485 1.00 54.22 O ATOM 706 OD2 ASP A 50 -6.520 10.075 -4.814 1.00 12.33 O ATOM 0 H ASP A 50 -9.142 8.903 -1.104 1.00 34.03 H new ATOM 0 HA ASP A 50 -9.576 9.964 -3.728 1.00 44.31 H new ATOM 0 HB2 ASP A 50 -7.322 9.590 -2.515 1.00 22.22 H new ATOM 0 HB3 ASP A 50 -7.529 7.885 -2.861 1.00 22.22 H new ATOM 711 N GLY A 51 -10.038 6.742 -2.961 1.00 52.03 N ATOM 712 CA GLY A 51 -10.727 5.535 -3.392 1.00 4.15 C ATOM 713 C GLY A 51 -9.830 4.692 -4.246 1.00 22.21 C ATOM 714 O GLY A 51 -10.286 3.726 -4.846 1.00 42.21 O ATOM 0 H GLY A 51 -9.615 6.683 -2.035 1.00 52.03 H new ATOM 0 HA2 GLY A 51 -11.051 4.964 -2.522 1.00 4.15 H new ATOM 0 HA3 GLY A 51 -11.624 5.802 -3.950 1.00 4.15 H new ATOM 718 N ARG A 52 -8.519 5.013 -4.303 1.00 64.02 N ATOM 719 CA ARG A 52 -7.578 4.208 -5.063 1.00 31.31 C ATOM 720 C ARG A 52 -6.941 3.236 -4.112 1.00 52.32 C ATOM 721 O ARG A 52 -6.039 2.493 -4.480 1.00 51.45 O ATOM 722 CB ARG A 52 -6.487 5.029 -5.783 1.00 12.41 C ATOM 723 CG ARG A 52 -6.994 5.593 -7.118 1.00 11.04 C ATOM 724 CD ARG A 52 -5.967 6.434 -7.889 1.00 2.13 C ATOM 725 NE ARG A 52 -5.844 7.756 -7.216 1.00 12.52 N ATOM 726 CZ ARG A 52 -5.250 8.851 -7.814 1.00 10.41 C ATOM 727 NH1 ARG A 52 -4.616 8.740 -9.029 1.00 51.04 N ATOM 728 NH2 ARG A 52 -5.310 10.054 -7.187 1.00 64.41 N ATOM 0 H ARG A 52 -8.106 5.818 -3.832 1.00 64.02 H new ATOM 0 HA ARG A 52 -8.133 3.705 -5.855 1.00 31.31 H new ATOM 0 HB2 ARG A 52 -6.164 5.848 -5.141 1.00 12.41 H new ATOM 0 HB3 ARG A 52 -5.615 4.400 -5.961 1.00 12.41 H new ATOM 0 HG2 ARG A 52 -7.313 4.764 -7.750 1.00 11.04 H new ATOM 0 HG3 ARG A 52 -7.875 6.205 -6.927 1.00 11.04 H new ATOM 0 HD2 ARG A 52 -5.002 5.928 -7.911 1.00 2.13 H new ATOM 0 HD3 ARG A 52 -6.283 6.563 -8.924 1.00 2.13 H new ATOM 0 HE ARG A 52 -6.215 7.858 -6.271 1.00 12.52 H new ATOM 0 HH11 ARG A 52 -4.579 7.838 -9.504 1.00 51.04 H new ATOM 0 HH12 ARG A 52 -4.183 9.559 -9.455 1.00 51.04 H new ATOM 0 HH21 ARG A 52 -5.788 10.138 -6.290 1.00 64.41 H new ATOM 0 HH22 ARG A 52 -4.877 10.873 -7.613 1.00 64.41 H new ATOM 742 N ILE A 53 -7.443 3.194 -2.877 1.00 54.30 N ATOM 743 CA ILE A 53 -6.995 2.238 -1.923 1.00 53.51 C ATOM 744 C ILE A 53 -8.271 1.739 -1.342 1.00 32.32 C ATOM 745 O ILE A 53 -9.201 2.511 -1.128 1.00 64.41 O ATOM 746 CB ILE A 53 -6.083 2.802 -0.804 1.00 4.32 C ATOM 747 CG1 ILE A 53 -4.625 2.939 -1.310 1.00 52.22 C ATOM 748 CG2 ILE A 53 -6.137 1.882 0.450 1.00 3.33 C ATOM 749 CD1 ILE A 53 -4.302 4.236 -2.019 1.00 15.20 C ATOM 0 H ILE A 53 -8.166 3.827 -2.533 1.00 54.30 H new ATOM 0 HA ILE A 53 -6.367 1.485 -2.398 1.00 53.51 H new ATOM 0 HB ILE A 53 -6.446 3.792 -0.527 1.00 4.32 H new ATOM 0 HG12 ILE A 53 -3.952 2.833 -0.459 1.00 52.22 H new ATOM 0 HG13 ILE A 53 -4.415 2.112 -1.988 1.00 52.22 H new ATOM 0 HG21 ILE A 53 -5.492 2.290 1.228 1.00 3.33 H new ATOM 0 HG22 ILE A 53 -7.161 1.829 0.819 1.00 3.33 H new ATOM 0 HG23 ILE A 53 -5.795 0.882 0.183 1.00 3.33 H new ATOM 0 HD11 ILE A 53 -3.258 4.229 -2.332 1.00 15.20 H new ATOM 0 HD12 ILE A 53 -4.943 4.341 -2.895 1.00 15.20 H new ATOM 0 HD13 ILE A 53 -4.472 5.073 -1.342 1.00 15.20 H new ATOM 761 N HIS A 54 -8.338 0.432 -1.112 1.00 65.33 N ATOM 762 CA HIS A 54 -9.477 -0.173 -0.496 1.00 21.14 C ATOM 763 C HIS A 54 -8.940 -1.307 0.263 1.00 1.04 C ATOM 764 O HIS A 54 -7.804 -1.733 0.043 1.00 10.53 O ATOM 765 CB HIS A 54 -10.556 -0.693 -1.477 1.00 70.03 C ATOM 766 CG HIS A 54 -11.469 0.414 -1.932 1.00 31.22 C ATOM 767 ND1 HIS A 54 -12.277 0.310 -3.030 1.00 41.30 N ATOM 768 CD2 HIS A 54 -11.733 1.604 -1.355 1.00 35.51 C ATOM 769 CE1 HIS A 54 -13.005 1.425 -3.117 1.00 12.24 C ATOM 770 NE2 HIS A 54 -12.682 2.221 -2.103 1.00 52.21 N ATOM 0 H HIS A 54 -7.595 -0.224 -1.353 1.00 65.33 H new ATOM 0 HA HIS A 54 -9.988 0.580 0.104 1.00 21.14 H new ATOM 0 HB2 HIS A 54 -10.074 -1.147 -2.343 1.00 70.03 H new ATOM 0 HB3 HIS A 54 -11.143 -1.474 -0.993 1.00 70.03 H new ATOM 0 HD2 HIS A 54 -11.272 1.995 -0.460 1.00 35.51 H new ATOM 0 HE1 HIS A 54 -13.734 1.644 -3.883 1.00 12.24 H new ATOM 0 HE2 HIS A 54 -13.081 3.141 -1.918 1.00 52.21 H new ATOM 779 N LYS A 55 -9.735 -1.801 1.227 1.00 21.11 N ATOM 780 CA LYS A 55 -9.307 -2.866 2.095 1.00 12.24 C ATOM 781 C LYS A 55 -9.146 -4.105 1.264 1.00 2.45 C ATOM 782 O LYS A 55 -9.975 -4.387 0.383 1.00 35.31 O ATOM 783 CB LYS A 55 -10.339 -3.187 3.193 1.00 60.43 C ATOM 784 CG LYS A 55 -10.739 -1.972 4.052 1.00 30.32 C ATOM 785 CD LYS A 55 -11.804 -2.290 5.112 1.00 55.34 C ATOM 786 CE LYS A 55 -13.148 -2.789 4.522 1.00 22.04 C ATOM 787 NZ LYS A 55 -14.088 -3.145 5.599 1.00 1.21 N ATOM 0 H LYS A 55 -10.680 -1.465 1.411 1.00 21.11 H new ATOM 0 HA LYS A 55 -8.380 -2.549 2.574 1.00 12.24 H new ATOM 0 HB2 LYS A 55 -11.234 -3.600 2.727 1.00 60.43 H new ATOM 0 HB3 LYS A 55 -9.933 -3.961 3.844 1.00 60.43 H new ATOM 0 HG2 LYS A 55 -9.851 -1.580 4.548 1.00 30.32 H new ATOM 0 HG3 LYS A 55 -11.113 -1.184 3.399 1.00 30.32 H new ATOM 0 HD2 LYS A 55 -11.412 -3.048 5.790 1.00 55.34 H new ATOM 0 HD3 LYS A 55 -11.989 -1.395 5.707 1.00 55.34 H new ATOM 0 HE2 LYS A 55 -13.585 -2.014 3.892 1.00 22.04 H new ATOM 0 HE3 LYS A 55 -12.972 -3.656 3.885 1.00 22.04 H new ATOM 0 HZ1 LYS A 55 -14.982 -3.477 5.184 1.00 1.21 H new ATOM 0 HZ2 LYS A 55 -13.676 -3.900 6.184 1.00 1.21 H new ATOM 0 HZ3 LYS A 55 -14.270 -2.310 6.191 1.00 1.21 H new ATOM 801 N GLY A 56 -8.090 -4.867 1.524 1.00 63.30 N ATOM 802 CA GLY A 56 -7.902 -6.131 0.854 1.00 70.34 C ATOM 803 C GLY A 56 -6.876 -5.942 -0.210 1.00 55.23 C ATOM 804 O GLY A 56 -6.118 -6.864 -0.507 1.00 21.44 O ATOM 0 H GLY A 56 -7.358 -4.626 2.192 1.00 63.30 H new ATOM 0 HA2 GLY A 56 -7.579 -6.893 1.563 1.00 70.34 H new ATOM 0 HA3 GLY A 56 -8.841 -6.476 0.421 1.00 70.34 H new ATOM 808 N ASP A 57 -6.819 -4.722 -0.826 1.00 35.14 N ATOM 809 CA ASP A 57 -5.834 -4.454 -1.878 1.00 65.34 C ATOM 810 C ASP A 57 -4.488 -4.476 -1.232 1.00 35.51 C ATOM 811 O ASP A 57 -4.363 -4.278 -0.016 1.00 31.54 O ATOM 812 CB ASP A 57 -5.994 -3.079 -2.601 1.00 22.02 C ATOM 813 CG ASP A 57 -7.262 -3.067 -3.454 1.00 73.15 C ATOM 814 OD1 ASP A 57 -7.945 -4.122 -3.578 1.00 63.31 O ATOM 815 OD2 ASP A 57 -7.589 -1.993 -4.013 1.00 32.42 O ATOM 0 H ASP A 57 -7.434 -3.938 -0.607 1.00 35.14 H new ATOM 0 HA ASP A 57 -5.976 -5.216 -2.645 1.00 65.34 H new ATOM 0 HB2 ASP A 57 -6.037 -2.277 -1.864 1.00 22.02 H new ATOM 0 HB3 ASP A 57 -5.124 -2.889 -3.229 1.00 22.02 H new ATOM 820 N ARG A 58 -3.459 -4.783 -2.019 1.00 10.23 N ATOM 821 CA ARG A 58 -2.170 -5.020 -1.460 1.00 43.40 C ATOM 822 C ARG A 58 -1.176 -4.230 -2.226 1.00 3.23 C ATOM 823 O ARG A 58 -1.393 -3.883 -3.366 1.00 40.30 O ATOM 824 CB ARG A 58 -1.767 -6.505 -1.508 1.00 10.23 C ATOM 825 CG ARG A 58 -2.084 -7.187 -2.831 1.00 2.50 C ATOM 826 CD ARG A 58 -1.715 -8.664 -2.832 1.00 61.50 C ATOM 827 NE ARG A 58 -2.169 -9.258 -4.127 1.00 31.34 N ATOM 828 CZ ARG A 58 -3.374 -9.941 -4.252 1.00 3.13 C ATOM 829 NH1 ARG A 58 -4.203 -10.114 -3.175 1.00 52.32 N ATOM 830 NH2 ARG A 58 -3.725 -10.444 -5.458 1.00 24.12 N ATOM 0 H ARG A 58 -3.511 -4.868 -3.034 1.00 10.23 H new ATOM 0 HA ARG A 58 -2.201 -4.724 -0.411 1.00 43.40 H new ATOM 0 HB2 ARG A 58 -0.697 -6.588 -1.315 1.00 10.23 H new ATOM 0 HB3 ARG A 58 -2.278 -7.036 -0.705 1.00 10.23 H new ATOM 0 HG2 ARG A 58 -3.148 -7.082 -3.044 1.00 2.50 H new ATOM 0 HG3 ARG A 58 -1.547 -6.682 -3.634 1.00 2.50 H new ATOM 0 HD2 ARG A 58 -0.638 -8.787 -2.714 1.00 61.50 H new ATOM 0 HD3 ARG A 58 -2.188 -9.175 -1.993 1.00 61.50 H new ATOM 0 HE ARG A 58 -1.573 -9.159 -4.949 1.00 31.34 H new ATOM 0 HH11 ARG A 58 -3.940 -9.739 -2.264 1.00 52.32 H new ATOM 0 HH12 ARG A 58 -5.083 -10.618 -3.285 1.00 52.32 H new ATOM 0 HH21 ARG A 58 -3.109 -10.320 -6.261 1.00 24.12 H new ATOM 0 HH22 ARG A 58 -4.606 -10.947 -5.564 1.00 24.12 H new ATOM 844 N VAL A 59 -0.057 -3.922 -1.559 1.00 41.55 N ATOM 845 CA VAL A 59 0.988 -3.134 -2.115 1.00 1.13 C ATOM 846 C VAL A 59 2.000 -4.108 -2.646 1.00 0.24 C ATOM 847 O VAL A 59 2.267 -5.144 -2.020 1.00 2.35 O ATOM 848 CB VAL A 59 1.654 -2.233 -1.072 1.00 74.31 C ATOM 849 CG1 VAL A 59 2.710 -1.341 -1.759 1.00 43.41 C ATOM 850 CG2 VAL A 59 0.544 -1.409 -0.370 1.00 21.12 C ATOM 0 H VAL A 59 0.126 -4.231 -0.604 1.00 41.55 H new ATOM 0 HA VAL A 59 0.587 -2.476 -2.886 1.00 1.13 H new ATOM 0 HB VAL A 59 2.178 -2.818 -0.316 1.00 74.31 H new ATOM 0 HG11 VAL A 59 3.184 -0.700 -1.016 1.00 43.41 H new ATOM 0 HG12 VAL A 59 3.466 -1.969 -2.231 1.00 43.41 H new ATOM 0 HG13 VAL A 59 2.227 -0.723 -2.516 1.00 43.41 H new ATOM 0 HG21 VAL A 59 0.993 -0.758 0.379 1.00 21.12 H new ATOM 0 HG22 VAL A 59 0.018 -0.804 -1.108 1.00 21.12 H new ATOM 0 HG23 VAL A 59 -0.161 -2.086 0.113 1.00 21.12 H new ATOM 860 N LEU A 60 2.557 -3.802 -3.825 1.00 10.04 N ATOM 861 CA LEU A 60 3.557 -4.652 -4.439 1.00 33.42 C ATOM 862 C LEU A 60 4.874 -4.009 -4.199 1.00 34.32 C ATOM 863 O LEU A 60 5.775 -4.617 -3.645 1.00 1.21 O ATOM 864 CB LEU A 60 3.419 -4.769 -5.971 1.00 53.32 C ATOM 865 CG LEU A 60 2.093 -5.356 -6.444 1.00 63.53 C ATOM 866 CD1 LEU A 60 2.003 -5.377 -7.959 1.00 51.41 C ATOM 867 CD2 LEU A 60 1.788 -6.735 -5.852 1.00 43.21 C ATOM 0 H LEU A 60 2.324 -2.968 -4.365 1.00 10.04 H new ATOM 0 HA LEU A 60 3.444 -5.647 -4.009 1.00 33.42 H new ATOM 0 HB2 LEU A 60 3.541 -3.779 -6.411 1.00 53.32 H new ATOM 0 HB3 LEU A 60 4.232 -5.388 -6.350 1.00 53.32 H new ATOM 0 HG LEU A 60 1.321 -4.687 -6.063 1.00 63.53 H new ATOM 0 HD11 LEU A 60 1.045 -5.801 -8.261 1.00 51.41 H new ATOM 0 HD12 LEU A 60 2.086 -4.360 -8.343 1.00 51.41 H new ATOM 0 HD13 LEU A 60 2.813 -5.985 -8.363 1.00 51.41 H new ATOM 0 HD21 LEU A 60 0.830 -7.090 -6.232 1.00 43.21 H new ATOM 0 HD22 LEU A 60 2.574 -7.435 -6.136 1.00 43.21 H new ATOM 0 HD23 LEU A 60 1.743 -6.663 -4.765 1.00 43.21 H new ATOM 879 N ALA A 61 5.024 -2.752 -4.662 1.00 54.34 N ATOM 880 CA ALA A 61 6.271 -2.055 -4.540 1.00 24.12 C ATOM 881 C ALA A 61 5.921 -0.694 -4.076 1.00 15.03 C ATOM 882 O ALA A 61 4.868 -0.190 -4.427 1.00 32.21 O ATOM 883 CB ALA A 61 7.012 -1.900 -5.890 1.00 22.14 C ATOM 0 H ALA A 61 4.284 -2.219 -5.120 1.00 54.34 H new ATOM 0 HA ALA A 61 6.925 -2.611 -3.869 1.00 24.12 H new ATOM 0 HB1 ALA A 61 7.948 -1.365 -5.732 1.00 22.14 H new ATOM 0 HB2 ALA A 61 7.223 -2.886 -6.304 1.00 22.14 H new ATOM 0 HB3 ALA A 61 6.387 -1.340 -6.586 1.00 22.14 H new ATOM 889 N VAL A 62 6.808 -0.060 -3.284 1.00 64.30 N ATOM 890 CA VAL A 62 6.569 1.287 -2.822 1.00 60.24 C ATOM 891 C VAL A 62 7.660 2.104 -3.418 1.00 70.23 C ATOM 892 O VAL A 62 8.827 1.862 -3.166 1.00 64.54 O ATOM 893 CB VAL A 62 6.619 1.456 -1.306 1.00 73.44 C ATOM 894 CG1 VAL A 62 6.377 2.947 -0.952 1.00 72.40 C ATOM 895 CG2 VAL A 62 5.574 0.520 -0.688 1.00 52.42 C ATOM 0 H VAL A 62 7.685 -0.470 -2.963 1.00 64.30 H new ATOM 0 HA VAL A 62 5.562 1.582 -3.117 1.00 60.24 H new ATOM 0 HB VAL A 62 7.594 1.187 -0.900 1.00 73.44 H new ATOM 0 HG11 VAL A 62 6.411 3.074 0.130 1.00 72.40 H new ATOM 0 HG12 VAL A 62 7.150 3.561 -1.414 1.00 72.40 H new ATOM 0 HG13 VAL A 62 5.399 3.255 -1.323 1.00 72.40 H new ATOM 0 HG21 VAL A 62 5.590 0.622 0.397 1.00 52.42 H new ATOM 0 HG22 VAL A 62 4.584 0.782 -1.062 1.00 52.42 H new ATOM 0 HG23 VAL A 62 5.803 -0.511 -0.959 1.00 52.42 H new ATOM 905 N ASN A 63 7.271 3.089 -4.239 1.00 41.22 N ATOM 906 CA ASN A 63 8.204 3.999 -4.916 1.00 73.14 C ATOM 907 C ASN A 63 9.247 3.193 -5.686 1.00 34.54 C ATOM 908 O ASN A 63 10.407 3.580 -5.791 1.00 34.35 O ATOM 909 CB ASN A 63 8.909 5.027 -3.974 1.00 52.11 C ATOM 910 CG ASN A 63 9.568 6.126 -4.830 1.00 25.00 C ATOM 911 OD1 ASN A 63 9.152 6.387 -5.968 1.00 24.22 O ATOM 912 ND2 ASN A 63 10.608 6.784 -4.292 1.00 71.42 N ATOM 0 H ASN A 63 6.292 3.278 -4.453 1.00 41.22 H new ATOM 0 HA ASN A 63 7.596 4.595 -5.597 1.00 73.14 H new ATOM 0 HB2 ASN A 63 8.185 5.468 -3.289 1.00 52.11 H new ATOM 0 HB3 ASN A 63 9.660 4.525 -3.364 1.00 52.11 H new ATOM 0 HD21 ASN A 63 11.076 7.519 -4.822 1.00 71.42 H new ATOM 0 HD22 ASN A 63 10.930 6.549 -3.353 1.00 71.42 H new ATOM 919 N GLY A 64 8.815 2.056 -6.259 1.00 70.30 N ATOM 920 CA GLY A 64 9.657 1.300 -7.150 1.00 22.11 C ATOM 921 C GLY A 64 10.260 0.184 -6.400 1.00 64.12 C ATOM 922 O GLY A 64 10.708 -0.800 -6.994 1.00 63.32 O ATOM 0 H GLY A 64 7.888 1.657 -6.110 1.00 70.30 H new ATOM 0 HA2 GLY A 64 9.074 0.920 -7.989 1.00 22.11 H new ATOM 0 HA3 GLY A 64 10.435 1.939 -7.567 1.00 22.11 H new ATOM 926 N VAL A 65 10.329 0.297 -5.067 1.00 41.34 N ATOM 927 CA VAL A 65 11.028 -0.630 -4.284 1.00 64.12 C ATOM 928 C VAL A 65 10.132 -1.828 -4.063 1.00 40.35 C ATOM 929 O VAL A 65 9.084 -1.712 -3.426 1.00 61.22 O ATOM 930 CB VAL A 65 11.368 -0.021 -2.939 1.00 41.24 C ATOM 931 CG1 VAL A 65 12.122 -1.032 -2.123 1.00 32.01 C ATOM 932 CG2 VAL A 65 12.160 1.289 -3.181 1.00 45.14 C ATOM 0 H VAL A 65 9.888 1.048 -4.536 1.00 41.34 H new ATOM 0 HA VAL A 65 11.950 -0.919 -4.789 1.00 64.12 H new ATOM 0 HB VAL A 65 10.474 0.239 -2.372 1.00 41.24 H new ATOM 0 HG11 VAL A 65 12.372 -0.603 -1.152 1.00 32.01 H new ATOM 0 HG12 VAL A 65 11.504 -1.918 -1.980 1.00 32.01 H new ATOM 0 HG13 VAL A 65 13.039 -1.309 -2.644 1.00 32.01 H new ATOM 0 HG21 VAL A 65 12.414 1.743 -2.223 1.00 45.14 H new ATOM 0 HG22 VAL A 65 13.074 1.065 -3.730 1.00 45.14 H new ATOM 0 HG23 VAL A 65 11.549 1.982 -3.760 1.00 45.14 H new ATOM 942 N SER A 66 10.557 -3.002 -4.598 1.00 32.33 N ATOM 943 CA SER A 66 9.861 -4.275 -4.409 1.00 42.42 C ATOM 944 C SER A 66 9.639 -4.506 -2.920 1.00 55.12 C ATOM 945 O SER A 66 10.586 -4.475 -2.116 1.00 60.43 O ATOM 946 CB SER A 66 10.658 -5.457 -4.976 1.00 22.34 C ATOM 947 OG SER A 66 10.987 -5.197 -6.347 1.00 53.32 O ATOM 0 H SER A 66 11.396 -3.079 -5.172 1.00 32.33 H new ATOM 0 HA SER A 66 8.913 -4.217 -4.944 1.00 42.42 H new ATOM 0 HB2 SER A 66 11.568 -5.608 -4.395 1.00 22.34 H new ATOM 0 HB3 SER A 66 10.074 -6.374 -4.899 1.00 22.34 H new ATOM 0 HG SER A 66 11.498 -5.951 -6.710 1.00 53.32 H new ATOM 953 N LEU A 67 8.354 -4.647 -2.525 1.00 25.15 N ATOM 954 CA LEU A 67 7.990 -4.608 -1.136 1.00 34.00 C ATOM 955 C LEU A 67 7.580 -5.991 -0.738 1.00 2.33 C ATOM 956 O LEU A 67 7.568 -6.332 0.409 1.00 21.54 O ATOM 957 CB LEU A 67 6.789 -3.640 -0.922 1.00 53.24 C ATOM 958 CG LEU A 67 6.679 -2.970 0.455 1.00 53.20 C ATOM 959 CD1 LEU A 67 6.044 -3.857 1.512 1.00 25.31 C ATOM 960 CD2 LEU A 67 7.987 -2.305 0.907 1.00 64.34 C ATOM 0 H LEU A 67 7.572 -4.787 -3.164 1.00 25.15 H new ATOM 0 HA LEU A 67 8.831 -4.258 -0.537 1.00 34.00 H new ATOM 0 HB2 LEU A 67 6.845 -2.857 -1.678 1.00 53.24 H new ATOM 0 HB3 LEU A 67 5.869 -4.194 -1.105 1.00 53.24 H new ATOM 0 HG LEU A 67 5.973 -2.150 0.325 1.00 53.20 H new ATOM 0 HD11 LEU A 67 5.999 -3.319 2.459 1.00 25.31 H new ATOM 0 HD12 LEU A 67 5.036 -4.129 1.201 1.00 25.31 H new ATOM 0 HD13 LEU A 67 6.642 -4.760 1.636 1.00 25.31 H new ATOM 0 HD21 LEU A 67 7.844 -1.850 1.887 1.00 64.34 H new ATOM 0 HD22 LEU A 67 8.775 -3.056 0.967 1.00 64.34 H new ATOM 0 HD23 LEU A 67 8.272 -1.537 0.188 1.00 64.34 H new ATOM 972 N GLU A 68 7.243 -6.844 -1.708 1.00 42.41 N ATOM 973 CA GLU A 68 6.865 -8.212 -1.373 1.00 73.43 C ATOM 974 C GLU A 68 8.074 -8.907 -0.751 1.00 50.51 C ATOM 975 O GLU A 68 9.174 -8.898 -1.304 1.00 23.51 O ATOM 976 CB GLU A 68 6.377 -9.050 -2.573 1.00 43.23 C ATOM 977 CG GLU A 68 4.994 -8.617 -3.102 1.00 14.53 C ATOM 978 CD GLU A 68 4.585 -9.599 -4.185 1.00 22.34 C ATOM 979 OE1 GLU A 68 5.196 -9.573 -5.273 1.00 22.24 O ATOM 980 OE2 GLU A 68 3.679 -10.437 -3.935 1.00 15.44 O ATOM 0 H GLU A 68 7.225 -6.618 -2.703 1.00 42.41 H new ATOM 0 HA GLU A 68 6.023 -8.143 -0.685 1.00 73.43 H new ATOM 0 HB2 GLU A 68 7.106 -8.974 -3.380 1.00 43.23 H new ATOM 0 HB3 GLU A 68 6.333 -10.099 -2.280 1.00 43.23 H new ATOM 0 HG2 GLU A 68 4.261 -8.610 -2.295 1.00 14.53 H new ATOM 0 HG3 GLU A 68 5.038 -7.604 -3.501 1.00 14.53 H new ATOM 987 N GLY A 69 7.870 -9.501 0.441 1.00 65.22 N ATOM 988 CA GLY A 69 8.954 -10.150 1.179 1.00 15.22 C ATOM 989 C GLY A 69 9.489 -9.180 2.194 1.00 30.54 C ATOM 990 O GLY A 69 10.193 -9.571 3.131 1.00 51.12 O ATOM 0 H GLY A 69 6.963 -9.541 0.907 1.00 65.22 H new ATOM 0 HA2 GLY A 69 8.590 -11.051 1.672 1.00 15.22 H new ATOM 0 HA3 GLY A 69 9.746 -10.458 0.496 1.00 15.22 H new ATOM 994 N ALA A 70 9.162 -7.880 2.040 1.00 25.51 N ATOM 995 CA ALA A 70 9.538 -6.897 3.028 1.00 15.14 C ATOM 996 C ALA A 70 8.539 -7.036 4.120 1.00 62.41 C ATOM 997 O ALA A 70 7.422 -7.496 3.899 1.00 62.02 O ATOM 998 CB ALA A 70 9.513 -5.437 2.520 1.00 14.25 C ATOM 0 H ALA A 70 8.644 -7.508 1.244 1.00 25.51 H new ATOM 0 HA ALA A 70 10.569 -7.082 3.331 1.00 15.14 H new ATOM 0 HB1 ALA A 70 9.809 -4.766 3.327 1.00 14.25 H new ATOM 0 HB2 ALA A 70 10.207 -5.330 1.686 1.00 14.25 H new ATOM 0 HB3 ALA A 70 8.506 -5.184 2.189 1.00 14.25 H new ATOM 1004 N THR A 71 8.947 -6.717 5.334 1.00 15.03 N ATOM 1005 CA THR A 71 8.127 -6.979 6.466 1.00 71.11 C ATOM 1006 C THR A 71 7.103 -5.867 6.593 1.00 42.54 C ATOM 1007 O THR A 71 7.067 -4.935 5.797 1.00 43.02 O ATOM 1008 CB THR A 71 8.930 -7.107 7.752 1.00 12.33 C ATOM 1009 OG1 THR A 71 9.605 -5.880 8.050 1.00 11.14 O ATOM 1010 CG2 THR A 71 9.978 -8.207 7.549 1.00 72.33 C ATOM 0 H THR A 71 9.843 -6.277 5.545 1.00 15.03 H new ATOM 0 HA THR A 71 7.633 -7.938 6.313 1.00 71.11 H new ATOM 0 HB THR A 71 8.258 -7.346 8.576 1.00 12.33 H new ATOM 0 HG1 THR A 71 10.115 -5.981 8.881 1.00 11.14 H new ATOM 0 HG21 THR A 71 10.569 -8.319 8.458 1.00 72.33 H new ATOM 0 HG22 THR A 71 9.478 -9.149 7.323 1.00 72.33 H new ATOM 0 HG23 THR A 71 10.634 -7.936 6.722 1.00 72.33 H new ATOM 1018 N HIS A 72 6.236 -5.979 7.620 1.00 14.04 N ATOM 1019 CA HIS A 72 5.220 -4.990 7.853 1.00 54.11 C ATOM 1020 C HIS A 72 5.896 -3.719 8.321 1.00 71.43 C ATOM 1021 O HIS A 72 5.602 -2.670 7.819 1.00 34.33 O ATOM 1022 CB HIS A 72 4.090 -5.425 8.828 1.00 4.43 C ATOM 1023 CG HIS A 72 4.552 -5.999 10.135 1.00 20.54 C ATOM 1024 ND1 HIS A 72 4.926 -5.226 11.186 1.00 70.32 N ATOM 1025 CD2 HIS A 72 4.664 -7.282 10.524 1.00 72.21 C ATOM 1026 CE1 HIS A 72 5.272 -6.017 12.188 1.00 73.34 C ATOM 1027 NE2 HIS A 72 5.112 -7.274 11.805 1.00 61.43 N ATOM 0 H HIS A 72 6.237 -6.750 8.287 1.00 14.04 H new ATOM 0 HA HIS A 72 4.699 -4.833 6.908 1.00 54.11 H new ATOM 0 HB2 HIS A 72 3.458 -4.561 9.033 1.00 4.43 H new ATOM 0 HB3 HIS A 72 3.466 -6.164 8.327 1.00 4.43 H new ATOM 0 HD2 HIS A 72 4.440 -8.155 9.929 1.00 72.21 H new ATOM 0 HE1 HIS A 72 5.625 -5.692 13.155 1.00 73.34 H new ATOM 0 HE2 HIS A 72 5.295 -8.099 12.377 1.00 61.43 H new ATOM 1036 N LYS A 73 6.870 -3.802 9.272 1.00 22.43 N ATOM 1037 CA LYS A 73 7.646 -2.618 9.687 1.00 35.43 C ATOM 1038 C LYS A 73 8.237 -1.933 8.464 1.00 45.33 C ATOM 1039 O LYS A 73 7.990 -0.753 8.244 1.00 1.33 O ATOM 1040 CB LYS A 73 8.816 -3.002 10.621 1.00 51.21 C ATOM 1041 CG LYS A 73 9.691 -1.831 11.092 1.00 23.23 C ATOM 1042 CD LYS A 73 10.961 -2.297 11.807 1.00 53.22 C ATOM 1043 CE LYS A 73 11.916 -1.154 12.176 1.00 4.52 C ATOM 1044 NZ LYS A 73 13.166 -1.690 12.748 1.00 45.03 N ATOM 0 H LYS A 73 7.126 -4.665 9.752 1.00 22.43 H new ATOM 0 HA LYS A 73 6.963 -1.955 10.218 1.00 35.43 H new ATOM 0 HB2 LYS A 73 8.409 -3.506 11.498 1.00 51.21 H new ATOM 0 HB3 LYS A 73 9.450 -3.723 10.105 1.00 51.21 H new ATOM 0 HG2 LYS A 73 9.966 -1.219 10.233 1.00 23.23 H new ATOM 0 HG3 LYS A 73 9.112 -1.197 11.763 1.00 23.23 H new ATOM 0 HD2 LYS A 73 10.681 -2.832 12.715 1.00 53.22 H new ATOM 0 HD3 LYS A 73 11.487 -3.006 11.168 1.00 53.22 H new ATOM 0 HE2 LYS A 73 12.140 -0.559 11.291 1.00 4.52 H new ATOM 0 HE3 LYS A 73 11.436 -0.489 12.894 1.00 4.52 H new ATOM 0 HZ1 LYS A 73 13.801 -0.904 12.992 1.00 45.03 H new ATOM 0 HZ2 LYS A 73 12.949 -2.238 13.605 1.00 45.03 H new ATOM 0 HZ3 LYS A 73 13.630 -2.306 12.051 1.00 45.03 H new ATOM 1058 N GLN A 74 9.030 -2.694 7.635 1.00 14.51 N ATOM 1059 CA GLN A 74 9.662 -2.125 6.422 1.00 52.00 C ATOM 1060 C GLN A 74 8.610 -1.472 5.557 1.00 31.04 C ATOM 1061 O GLN A 74 8.826 -0.391 5.010 1.00 21.53 O ATOM 1062 CB GLN A 74 10.362 -3.178 5.552 1.00 74.23 C ATOM 1063 CG GLN A 74 11.521 -3.885 6.253 1.00 31.52 C ATOM 1064 CD GLN A 74 12.096 -4.895 5.286 1.00 52.51 C ATOM 1065 OE1 GLN A 74 11.972 -6.102 5.493 1.00 52.34 O ATOM 1066 NE2 GLN A 74 12.723 -4.416 4.205 1.00 5.42 N ATOM 0 H GLN A 74 9.235 -3.681 7.792 1.00 14.51 H new ATOM 0 HA GLN A 74 10.406 -1.413 6.780 1.00 52.00 H new ATOM 0 HB2 GLN A 74 9.630 -3.923 5.240 1.00 74.23 H new ATOM 0 HB3 GLN A 74 10.735 -2.698 4.647 1.00 74.23 H new ATOM 0 HG2 GLN A 74 12.283 -3.165 6.552 1.00 31.52 H new ATOM 0 HG3 GLN A 74 11.175 -4.379 7.161 1.00 31.52 H new ATOM 0 HE21 GLN A 74 12.806 -3.409 4.068 1.00 5.42 H new ATOM 0 HE22 GLN A 74 13.118 -5.058 3.518 1.00 5.42 H new ATOM 1075 N ALA A 75 7.451 -2.138 5.433 1.00 62.42 N ATOM 1076 CA ALA A 75 6.339 -1.648 4.628 1.00 41.20 C ATOM 1077 C ALA A 75 5.996 -0.255 5.030 1.00 30.15 C ATOM 1078 O ALA A 75 5.891 0.642 4.186 1.00 33.02 O ATOM 1079 CB ALA A 75 5.063 -2.476 4.780 1.00 33.35 C ATOM 0 H ALA A 75 7.266 -3.030 5.891 1.00 62.42 H new ATOM 0 HA ALA A 75 6.678 -1.712 3.594 1.00 41.20 H new ATOM 0 HB1 ALA A 75 4.278 -2.053 4.153 1.00 33.35 H new ATOM 0 HB2 ALA A 75 5.258 -3.504 4.474 1.00 33.35 H new ATOM 0 HB3 ALA A 75 4.742 -2.462 5.822 1.00 33.35 H new ATOM 1085 N VAL A 76 5.823 -0.027 6.348 1.00 43.24 N ATOM 1086 CA VAL A 76 5.381 1.245 6.810 1.00 11.51 C ATOM 1087 C VAL A 76 6.530 2.217 6.677 1.00 44.13 C ATOM 1088 O VAL A 76 6.314 3.335 6.261 1.00 2.21 O ATOM 1089 CB VAL A 76 4.880 1.247 8.257 1.00 25.23 C ATOM 1090 CG1 VAL A 76 4.228 2.613 8.546 1.00 72.31 C ATOM 1091 CG2 VAL A 76 3.868 0.106 8.425 1.00 11.53 C ATOM 0 H VAL A 76 5.988 -0.717 7.081 1.00 43.24 H new ATOM 0 HA VAL A 76 4.526 1.531 6.198 1.00 11.51 H new ATOM 0 HB VAL A 76 5.699 1.094 8.960 1.00 25.23 H new ATOM 0 HG11 VAL A 76 3.865 2.633 9.574 1.00 72.31 H new ATOM 0 HG12 VAL A 76 4.964 3.404 8.406 1.00 72.31 H new ATOM 0 HG13 VAL A 76 3.393 2.769 7.863 1.00 72.31 H new ATOM 0 HG21 VAL A 76 3.501 0.093 9.451 1.00 11.53 H new ATOM 0 HG22 VAL A 76 3.032 0.258 7.742 1.00 11.53 H new ATOM 0 HG23 VAL A 76 4.351 -0.845 8.201 1.00 11.53 H new ATOM 1101 N CYS A 77 7.811 1.800 7.053 1.00 63.23 N ATOM 1102 CA CYS A 77 8.922 2.842 7.083 1.00 12.33 C ATOM 1103 C CYS A 77 8.995 3.435 5.657 1.00 64.34 C ATOM 1104 O CYS A 77 9.446 4.513 5.425 1.00 42.13 O ATOM 1105 CB CYS A 77 10.360 2.285 7.393 1.00 3.33 C ATOM 1106 SG CYS A 77 10.523 1.154 8.846 1.00 33.03 S ATOM 0 H CYS A 77 8.078 0.851 7.313 1.00 63.23 H new ATOM 0 HA CYS A 77 8.674 3.543 7.880 1.00 12.33 H new ATOM 0 HB2 CYS A 77 10.717 1.756 6.509 1.00 3.33 H new ATOM 0 HB3 CYS A 77 11.027 3.134 7.547 1.00 3.33 H new ATOM 1111 N THR A 78 8.740 2.546 4.650 1.00 64.24 N ATOM 1112 CA THR A 78 8.908 2.909 3.263 1.00 54.14 C ATOM 1113 C THR A 78 7.777 3.838 2.867 1.00 24.24 C ATOM 1114 O THR A 78 8.008 4.867 2.260 1.00 3.30 O ATOM 1115 CB THR A 78 8.920 1.699 2.322 1.00 74.23 C ATOM 1116 OG1 THR A 78 9.794 0.683 2.834 1.00 20.34 O ATOM 1117 CG2 THR A 78 9.445 2.154 0.937 1.00 22.30 C ATOM 0 H THR A 78 8.422 1.589 4.801 1.00 64.24 H new ATOM 0 HA THR A 78 9.879 3.395 3.166 1.00 54.14 H new ATOM 0 HB THR A 78 7.910 1.296 2.239 1.00 74.23 H new ATOM 0 HG1 THR A 78 9.329 0.171 3.528 1.00 20.34 H new ATOM 0 HG21 THR A 78 9.459 1.303 0.256 1.00 22.30 H new ATOM 0 HG22 THR A 78 8.791 2.928 0.536 1.00 22.30 H new ATOM 0 HG23 THR A 78 10.455 2.551 1.043 1.00 22.30 H new ATOM 1125 N LEU A 79 6.516 3.466 3.209 1.00 44.31 N ATOM 1126 CA LEU A 79 5.345 4.258 2.819 1.00 22.22 C ATOM 1127 C LEU A 79 5.365 5.576 3.553 1.00 53.24 C ATOM 1128 O LEU A 79 4.976 6.598 3.007 1.00 10.34 O ATOM 1129 CB LEU A 79 4.000 3.564 3.167 1.00 15.55 C ATOM 1130 CG LEU A 79 3.630 2.407 2.213 1.00 14.23 C ATOM 1131 CD1 LEU A 79 2.527 1.500 2.792 1.00 51.33 C ATOM 1132 CD2 LEU A 79 3.280 2.912 0.791 1.00 42.44 C ATOM 0 H LEU A 79 6.297 2.629 3.749 1.00 44.31 H new ATOM 0 HA LEU A 79 5.405 4.384 1.738 1.00 22.22 H new ATOM 0 HB2 LEU A 79 4.053 3.180 4.186 1.00 15.55 H new ATOM 0 HB3 LEU A 79 3.203 4.307 3.148 1.00 15.55 H new ATOM 0 HG LEU A 79 4.523 1.789 2.117 1.00 14.23 H new ATOM 0 HD11 LEU A 79 2.303 0.702 2.084 1.00 51.33 H new ATOM 0 HD12 LEU A 79 2.869 1.066 3.731 1.00 51.33 H new ATOM 0 HD13 LEU A 79 1.628 2.090 2.971 1.00 51.33 H new ATOM 0 HD21 LEU A 79 3.027 2.063 0.156 1.00 42.44 H new ATOM 0 HD22 LEU A 79 2.429 3.591 0.845 1.00 42.44 H new ATOM 0 HD23 LEU A 79 4.137 3.437 0.370 1.00 42.44 H new ATOM 1144 N ARG A 80 5.793 5.567 4.822 1.00 45.21 N ATOM 1145 CA ARG A 80 5.757 6.758 5.643 1.00 24.40 C ATOM 1146 C ARG A 80 6.780 7.719 5.097 1.00 43.33 C ATOM 1147 O ARG A 80 6.433 8.826 4.674 1.00 22.12 O ATOM 1148 CB ARG A 80 6.085 6.444 7.132 1.00 1.32 C ATOM 1149 CG ARG A 80 5.571 7.469 8.158 1.00 24.31 C ATOM 1150 CD ARG A 80 6.316 8.821 8.193 1.00 45.10 C ATOM 1151 NE ARG A 80 5.844 9.545 9.427 1.00 34.13 N ATOM 1152 CZ ARG A 80 5.906 10.915 9.569 1.00 43.05 C ATOM 1153 NH1 ARG A 80 6.435 11.698 8.582 1.00 52.34 N ATOM 1154 NH2 ARG A 80 5.438 11.491 10.714 1.00 72.11 N ATOM 0 H ARG A 80 6.166 4.742 5.292 1.00 45.21 H new ATOM 0 HA ARG A 80 4.753 7.182 5.614 1.00 24.40 H new ATOM 0 HB2 ARG A 80 5.666 5.468 7.379 1.00 1.32 H new ATOM 0 HB3 ARG A 80 7.167 6.363 7.237 1.00 1.32 H new ATOM 0 HG2 ARG A 80 4.518 7.662 7.953 1.00 24.31 H new ATOM 0 HG3 ARG A 80 5.626 7.020 9.150 1.00 24.31 H new ATOM 0 HD2 ARG A 80 7.395 8.668 8.223 1.00 45.10 H new ATOM 0 HD3 ARG A 80 6.102 9.404 7.297 1.00 45.10 H new ATOM 0 HE ARG A 80 5.460 8.995 10.195 1.00 34.13 H new ATOM 0 HH11 ARG A 80 6.790 11.270 7.727 1.00 52.34 H new ATOM 0 HH12 ARG A 80 6.475 12.710 8.700 1.00 52.34 H new ATOM 0 HH21 ARG A 80 5.047 10.909 11.455 1.00 72.11 H new ATOM 0 HH22 ARG A 80 5.479 12.504 10.829 1.00 72.11 H new ATOM 1168 N ASN A 81 8.076 7.285 5.093 1.00 64.32 N ATOM 1169 CA ASN A 81 9.208 8.089 4.577 1.00 14.21 C ATOM 1170 C ASN A 81 9.126 8.238 3.050 1.00 64.03 C ATOM 1171 O ASN A 81 10.052 7.883 2.322 1.00 71.15 O ATOM 1172 CB ASN A 81 10.591 7.465 4.935 1.00 41.22 C ATOM 1173 CG ASN A 81 11.699 8.491 4.696 1.00 11.53 C ATOM 1174 OD1 ASN A 81 11.436 9.661 4.409 1.00 10.21 O ATOM 1175 ND2 ASN A 81 12.963 8.064 4.829 1.00 72.21 N ATOM 0 H ASN A 81 8.356 6.370 5.448 1.00 64.32 H new ATOM 0 HA ASN A 81 9.128 9.065 5.056 1.00 14.21 H new ATOM 0 HB2 ASN A 81 10.597 7.145 5.977 1.00 41.22 H new ATOM 0 HB3 ASN A 81 10.768 6.577 4.328 1.00 41.22 H new ATOM 0 HD21 ASN A 81 13.738 8.713 4.692 1.00 72.21 H new ATOM 0 HD22 ASN A 81 13.150 7.090 5.067 1.00 72.21 H new ATOM 1182 N THR A 82 8.021 8.778 2.573 1.00 32.43 N ATOM 1183 CA THR A 82 7.831 9.098 1.184 1.00 55.40 C ATOM 1184 C THR A 82 7.852 10.603 1.077 1.00 42.42 C ATOM 1185 O THR A 82 8.069 11.309 2.067 1.00 25.43 O ATOM 1186 CB THR A 82 6.504 8.591 0.651 1.00 53.31 C ATOM 1187 OG1 THR A 82 5.468 8.795 1.624 1.00 13.11 O ATOM 1188 CG2 THR A 82 6.635 7.100 0.336 1.00 23.32 C ATOM 0 H THR A 82 7.218 9.009 3.158 1.00 32.43 H new ATOM 0 HA THR A 82 8.617 8.623 0.597 1.00 55.40 H new ATOM 0 HB THR A 82 6.242 9.139 -0.254 1.00 53.31 H new ATOM 0 HG1 THR A 82 5.563 8.139 2.346 1.00 13.11 H new ATOM 0 HG21 THR A 82 5.687 6.725 -0.048 1.00 23.32 H new ATOM 0 HG22 THR A 82 7.413 6.953 -0.413 1.00 23.32 H new ATOM 0 HG23 THR A 82 6.899 6.558 1.244 1.00 23.32 H new ATOM 1196 N GLY A 83 7.613 11.109 -0.146 1.00 63.51 N ATOM 1197 CA GLY A 83 7.613 12.523 -0.393 1.00 35.12 C ATOM 1198 C GLY A 83 6.208 12.997 -0.255 1.00 24.34 C ATOM 1199 O GLY A 83 5.454 12.518 0.602 1.00 73.05 O ATOM 0 H GLY A 83 7.419 10.539 -0.969 1.00 63.51 H new ATOM 0 HA2 GLY A 83 8.263 13.037 0.315 1.00 35.12 H new ATOM 0 HA3 GLY A 83 7.995 12.739 -1.391 1.00 35.12 H new ATOM 1203 N GLN A 84 5.836 13.992 -1.084 1.00 2.40 N ATOM 1204 CA GLN A 84 4.535 14.595 -0.977 1.00 2.32 C ATOM 1205 C GLN A 84 3.504 13.614 -1.485 1.00 14.44 C ATOM 1206 O GLN A 84 2.572 13.254 -0.759 1.00 14.02 O ATOM 1207 CB GLN A 84 4.424 15.900 -1.794 1.00 62.01 C ATOM 1208 CG GLN A 84 3.139 16.677 -1.527 1.00 13.34 C ATOM 1209 CD GLN A 84 3.164 17.922 -2.391 1.00 52.32 C ATOM 1210 OE1 GLN A 84 2.991 17.841 -3.601 1.00 74.23 O ATOM 1211 NE2 GLN A 84 3.393 19.085 -1.780 1.00 51.04 N ATOM 0 H GLN A 84 6.426 14.377 -1.821 1.00 2.40 H new ATOM 0 HA GLN A 84 4.367 14.844 0.071 1.00 2.32 H new ATOM 0 HB2 GLN A 84 5.279 16.537 -1.565 1.00 62.01 H new ATOM 0 HB3 GLN A 84 4.481 15.661 -2.856 1.00 62.01 H new ATOM 0 HG2 GLN A 84 2.267 16.066 -1.762 1.00 13.34 H new ATOM 0 HG3 GLN A 84 3.066 16.945 -0.473 1.00 13.34 H new ATOM 0 HE21 GLN A 84 3.532 19.112 -0.770 1.00 51.04 H new ATOM 0 HE22 GLN A 84 3.429 19.948 -2.323 1.00 51.04 H new ATOM 1220 N VAL A 85 3.669 13.140 -2.722 1.00 24.00 N ATOM 1221 CA VAL A 85 2.792 12.147 -3.280 1.00 34.50 C ATOM 1222 C VAL A 85 3.527 10.836 -3.184 1.00 23.24 C ATOM 1223 O VAL A 85 4.759 10.802 -3.270 1.00 72.44 O ATOM 1224 CB VAL A 85 2.489 12.477 -4.743 1.00 20.41 C ATOM 1225 CG1 VAL A 85 1.765 11.330 -5.457 1.00 75.32 C ATOM 1226 CG2 VAL A 85 1.665 13.772 -4.747 1.00 11.44 C ATOM 0 H VAL A 85 4.414 13.441 -3.350 1.00 24.00 H new ATOM 0 HA VAL A 85 1.842 12.109 -2.748 1.00 34.50 H new ATOM 0 HB VAL A 85 3.416 12.614 -5.300 1.00 20.41 H new ATOM 0 HG11 VAL A 85 1.571 11.611 -6.492 1.00 75.32 H new ATOM 0 HG12 VAL A 85 2.388 10.436 -5.434 1.00 75.32 H new ATOM 0 HG13 VAL A 85 0.820 11.127 -4.953 1.00 75.32 H new ATOM 0 HG21 VAL A 85 1.425 14.047 -5.774 1.00 11.44 H new ATOM 0 HG22 VAL A 85 0.742 13.618 -4.187 1.00 11.44 H new ATOM 0 HG23 VAL A 85 2.242 14.572 -4.283 1.00 11.44 H new ATOM 1236 N VAL A 86 2.781 9.732 -2.976 1.00 34.44 N ATOM 1237 CA VAL A 86 3.360 8.412 -2.915 1.00 33.22 C ATOM 1238 C VAL A 86 3.005 7.771 -4.203 1.00 64.24 C ATOM 1239 O VAL A 86 1.843 7.822 -4.626 1.00 31.33 O ATOM 1240 CB VAL A 86 2.751 7.538 -1.820 1.00 30.12 C ATOM 1241 CG1 VAL A 86 3.469 6.161 -1.785 1.00 3.40 C ATOM 1242 CG2 VAL A 86 2.835 8.295 -0.499 1.00 1.12 C ATOM 0 H VAL A 86 1.769 9.750 -2.849 1.00 34.44 H new ATOM 0 HA VAL A 86 4.428 8.504 -2.715 1.00 33.22 H new ATOM 0 HB VAL A 86 1.700 7.329 -2.018 1.00 30.12 H new ATOM 0 HG11 VAL A 86 3.031 5.542 -1.002 1.00 3.40 H new ATOM 0 HG12 VAL A 86 3.352 5.665 -2.748 1.00 3.40 H new ATOM 0 HG13 VAL A 86 4.529 6.309 -1.580 1.00 3.40 H new ATOM 0 HG21 VAL A 86 2.405 7.687 0.297 1.00 1.12 H new ATOM 0 HG22 VAL A 86 3.879 8.509 -0.268 1.00 1.12 H new ATOM 0 HG23 VAL A 86 2.282 9.231 -0.580 1.00 1.12 H new ATOM 1252 N HIS A 87 3.977 7.145 -4.858 1.00 41.22 N ATOM 1253 CA HIS A 87 3.695 6.377 -6.036 1.00 30.11 C ATOM 1254 C HIS A 87 3.980 4.975 -5.649 1.00 61.33 C ATOM 1255 O HIS A 87 4.992 4.701 -5.013 1.00 34.22 O ATOM 1256 CB HIS A 87 4.581 6.750 -7.247 1.00 63.23 C ATOM 1257 CG HIS A 87 4.082 6.172 -8.544 1.00 45.44 C ATOM 1258 ND1 HIS A 87 4.348 4.888 -8.942 1.00 3.31 N ATOM 1259 CD2 HIS A 87 3.290 6.726 -9.479 1.00 52.31 C ATOM 1260 CE1 HIS A 87 3.729 4.679 -10.100 1.00 35.21 C ATOM 1261 NE2 HIS A 87 3.075 5.788 -10.436 1.00 30.24 N ATOM 0 H HIS A 87 4.959 7.162 -4.584 1.00 41.22 H new ATOM 0 HA HIS A 87 2.669 6.558 -6.355 1.00 30.11 H new ATOM 0 HB2 HIS A 87 4.628 7.835 -7.334 1.00 63.23 H new ATOM 0 HB3 HIS A 87 5.598 6.400 -7.067 1.00 63.23 H new ATOM 0 HD2 HIS A 87 2.897 7.732 -9.470 1.00 52.31 H new ATOM 0 HE1 HIS A 87 3.753 3.763 -10.672 1.00 35.21 H new ATOM 0 HE2 HIS A 87 2.506 5.912 -11.274 1.00 30.24 H new ATOM 1270 N LEU A 88 3.068 4.065 -5.965 1.00 42.01 N ATOM 1271 CA LEU A 88 3.252 2.708 -5.549 1.00 31.14 C ATOM 1272 C LEU A 88 2.423 1.839 -6.402 1.00 12.43 C ATOM 1273 O LEU A 88 1.327 2.217 -6.822 1.00 14.30 O ATOM 1274 CB LEU A 88 2.893 2.438 -4.044 1.00 64.00 C ATOM 1275 CG LEU A 88 1.386 2.554 -3.639 1.00 73.14 C ATOM 1276 CD1 LEU A 88 1.189 2.316 -2.137 1.00 74.51 C ATOM 1277 CD2 LEU A 88 0.708 3.856 -4.099 1.00 62.23 C ATOM 0 H LEU A 88 2.217 4.249 -6.496 1.00 42.01 H new ATOM 0 HA LEU A 88 4.316 2.493 -5.651 1.00 31.14 H new ATOM 0 HB2 LEU A 88 3.236 1.435 -3.789 1.00 64.00 H new ATOM 0 HB3 LEU A 88 3.463 3.135 -3.430 1.00 64.00 H new ATOM 0 HG LEU A 88 0.878 1.758 -4.183 1.00 73.14 H new ATOM 0 HD11 LEU A 88 0.131 2.404 -1.890 1.00 74.51 H new ATOM 0 HD12 LEU A 88 1.540 1.317 -1.878 1.00 74.51 H new ATOM 0 HD13 LEU A 88 1.756 3.057 -1.574 1.00 74.51 H new ATOM 0 HD21 LEU A 88 -0.334 3.857 -3.778 1.00 62.23 H new ATOM 0 HD22 LEU A 88 1.224 4.710 -3.659 1.00 62.23 H new ATOM 0 HD23 LEU A 88 0.753 3.925 -5.186 1.00 62.23 H new ATOM 1289 N LEU A 89 2.945 0.650 -6.720 1.00 21.42 N ATOM 1290 CA LEU A 89 2.178 -0.371 -7.384 1.00 31.50 C ATOM 1291 C LEU A 89 1.370 -1.057 -6.349 1.00 31.41 C ATOM 1292 O LEU A 89 1.860 -1.384 -5.256 1.00 3.01 O ATOM 1293 CB LEU A 89 3.072 -1.497 -8.015 1.00 21.14 C ATOM 1294 CG LEU A 89 3.719 -1.182 -9.372 1.00 61.03 C ATOM 1295 CD1 LEU A 89 2.724 -1.294 -10.536 1.00 31.43 C ATOM 1296 CD2 LEU A 89 4.518 0.116 -9.375 1.00 23.44 C ATOM 0 H LEU A 89 3.909 0.384 -6.519 1.00 21.42 H new ATOM 0 HA LEU A 89 1.601 0.117 -8.170 1.00 31.50 H new ATOM 0 HB2 LEU A 89 3.865 -1.739 -7.307 1.00 21.14 H new ATOM 0 HB3 LEU A 89 2.462 -2.393 -8.128 1.00 21.14 H new ATOM 0 HG LEU A 89 4.461 -1.963 -9.540 1.00 61.03 H new ATOM 0 HD11 LEU A 89 3.232 -1.062 -11.472 1.00 31.43 H new ATOM 0 HD12 LEU A 89 2.328 -2.309 -10.580 1.00 31.43 H new ATOM 0 HD13 LEU A 89 1.905 -0.591 -10.383 1.00 31.43 H new ATOM 0 HD21 LEU A 89 4.947 0.277 -10.364 1.00 23.44 H new ATOM 0 HD22 LEU A 89 3.860 0.949 -9.125 1.00 23.44 H new ATOM 0 HD23 LEU A 89 5.319 0.052 -8.638 1.00 23.44 H new ATOM 1308 N LEU A 90 0.136 -1.318 -6.701 1.00 33.03 N ATOM 1309 CA LEU A 90 -0.741 -2.036 -5.852 1.00 52.22 C ATOM 1310 C LEU A 90 -1.511 -2.985 -6.702 1.00 61.23 C ATOM 1311 O LEU A 90 -1.508 -2.883 -7.940 1.00 74.24 O ATOM 1312 CB LEU A 90 -1.659 -1.158 -4.927 1.00 23.13 C ATOM 1313 CG LEU A 90 -2.555 -0.035 -5.564 1.00 73.01 C ATOM 1314 CD1 LEU A 90 -2.561 1.221 -4.686 1.00 31.30 C ATOM 1315 CD2 LEU A 90 -2.257 0.327 -7.026 1.00 23.14 C ATOM 0 H LEU A 90 -0.276 -1.032 -7.589 1.00 33.03 H new ATOM 0 HA LEU A 90 -0.136 -2.573 -5.122 1.00 52.22 H new ATOM 0 HB2 LEU A 90 -2.320 -1.835 -4.386 1.00 23.13 H new ATOM 0 HB3 LEU A 90 -1.016 -0.682 -4.187 1.00 23.13 H new ATOM 0 HG LEU A 90 -3.549 -0.481 -5.598 1.00 73.01 H new ATOM 0 HD11 LEU A 90 -3.188 1.984 -5.147 1.00 31.30 H new ATOM 0 HD12 LEU A 90 -2.956 0.974 -3.700 1.00 31.30 H new ATOM 0 HD13 LEU A 90 -1.544 1.599 -4.585 1.00 31.30 H new ATOM 0 HD21 LEU A 90 -2.939 1.112 -7.353 1.00 23.14 H new ATOM 0 HD22 LEU A 90 -1.229 0.680 -7.111 1.00 23.14 H new ATOM 0 HD23 LEU A 90 -2.391 -0.554 -7.654 1.00 23.14 H new ATOM 1327 N GLU A 91 -2.104 -3.990 -6.071 1.00 24.12 N ATOM 1328 CA GLU A 91 -2.746 -5.044 -6.777 1.00 3.45 C ATOM 1329 C GLU A 91 -4.041 -5.207 -6.085 1.00 43.31 C ATOM 1330 O GLU A 91 -4.118 -5.066 -4.857 1.00 64.40 O ATOM 1331 CB GLU A 91 -1.962 -6.393 -6.679 1.00 2.40 C ATOM 1332 CG GLU A 91 -2.674 -7.616 -7.294 1.00 63.12 C ATOM 1333 CD GLU A 91 -1.792 -8.847 -7.121 1.00 11.34 C ATOM 1334 OE1 GLU A 91 -0.779 -8.765 -6.410 1.00 23.30 O ATOM 1335 OE2 GLU A 91 -2.164 -9.928 -7.636 1.00 34.14 O ATOM 0 H GLU A 91 -2.143 -4.080 -5.056 1.00 24.12 H new ATOM 0 HA GLU A 91 -2.825 -4.805 -7.837 1.00 3.45 H new ATOM 0 HB2 GLU A 91 -0.997 -6.270 -7.171 1.00 2.40 H new ATOM 0 HB3 GLU A 91 -1.760 -6.601 -5.628 1.00 2.40 H new ATOM 0 HG2 GLU A 91 -3.638 -7.773 -6.809 1.00 63.12 H new ATOM 0 HG3 GLU A 91 -2.874 -7.442 -8.351 1.00 63.12 H new ATOM 1342 N LYS A 92 -5.108 -5.473 -6.863 1.00 13.13 N ATOM 1343 CA LYS A 92 -6.423 -5.661 -6.289 1.00 42.51 C ATOM 1344 C LYS A 92 -6.421 -6.905 -5.477 1.00 64.32 C ATOM 1345 O LYS A 92 -5.788 -7.891 -5.836 1.00 32.21 O ATOM 1346 CB LYS A 92 -7.544 -5.812 -7.328 1.00 54.31 C ATOM 1347 CG LYS A 92 -7.724 -4.589 -8.206 1.00 70.53 C ATOM 1348 CD LYS A 92 -8.076 -3.310 -7.415 1.00 54.05 C ATOM 1349 CE LYS A 92 -9.374 -3.421 -6.575 1.00 74.12 C ATOM 1350 NZ LYS A 92 -9.569 -2.205 -5.770 1.00 71.34 N ATOM 0 H LYS A 92 -5.070 -5.559 -7.879 1.00 13.13 H new ATOM 0 HA LYS A 92 -6.624 -4.764 -5.703 1.00 42.51 H new ATOM 0 HB2 LYS A 92 -7.330 -6.674 -7.959 1.00 54.31 H new ATOM 0 HB3 LYS A 92 -8.481 -6.020 -6.812 1.00 54.31 H new ATOM 0 HG2 LYS A 92 -6.807 -4.418 -8.769 1.00 70.53 H new ATOM 0 HG3 LYS A 92 -8.512 -4.786 -8.933 1.00 70.53 H new ATOM 0 HD2 LYS A 92 -7.246 -3.067 -6.751 1.00 54.05 H new ATOM 0 HD3 LYS A 92 -8.179 -2.480 -8.114 1.00 54.05 H new ATOM 0 HE2 LYS A 92 -10.230 -3.570 -7.234 1.00 74.12 H new ATOM 0 HE3 LYS A 92 -9.319 -4.292 -5.922 1.00 74.12 H new ATOM 0 HZ1 LYS A 92 -10.318 -2.370 -5.068 1.00 71.34 H new ATOM 0 HZ2 LYS A 92 -8.683 -1.967 -5.281 1.00 71.34 H new ATOM 0 HZ3 LYS A 92 -9.844 -1.418 -6.391 1.00 71.34 H new ATOM 1364 N GLY A 93 -7.159 -6.874 -4.381 1.00 15.13 N ATOM 1365 CA GLY A 93 -7.262 -8.012 -3.524 1.00 41.23 C ATOM 1366 C GLY A 93 -8.608 -8.566 -3.758 1.00 71.21 C ATOM 1367 O GLY A 93 -9.260 -8.251 -4.769 1.00 13.44 O ATOM 0 H GLY A 93 -7.694 -6.062 -4.074 1.00 15.13 H new ATOM 0 HA2 GLY A 93 -6.491 -8.747 -3.754 1.00 41.23 H new ATOM 0 HA3 GLY A 93 -7.131 -7.729 -2.480 1.00 41.23 H new ATOM 1371 N GLN A 94 -9.083 -9.380 -2.819 1.00 61.22 N ATOM 1372 CA GLN A 94 -10.418 -9.881 -2.885 1.00 73.04 C ATOM 1373 C GLN A 94 -11.100 -9.240 -1.742 1.00 14.35 C ATOM 1374 O GLN A 94 -10.444 -8.760 -0.816 1.00 53.53 O ATOM 1375 CB GLN A 94 -10.528 -11.418 -2.747 1.00 10.43 C ATOM 1376 CG GLN A 94 -9.954 -12.149 -3.979 1.00 11.11 C ATOM 1377 CD GLN A 94 -10.136 -13.647 -3.808 1.00 30.35 C ATOM 1378 OE1 GLN A 94 -9.163 -14.402 -3.775 1.00 5.43 O ATOM 1379 NE2 GLN A 94 -11.395 -14.096 -3.698 1.00 22.14 N ATOM 0 H GLN A 94 -8.549 -9.697 -2.010 1.00 61.22 H new ATOM 0 HA GLN A 94 -10.850 -9.657 -3.860 1.00 73.04 H new ATOM 0 HB2 GLN A 94 -9.996 -11.741 -1.852 1.00 10.43 H new ATOM 0 HB3 GLN A 94 -11.573 -11.697 -2.614 1.00 10.43 H new ATOM 0 HG2 GLN A 94 -10.459 -11.811 -4.884 1.00 11.11 H new ATOM 0 HG3 GLN A 94 -8.897 -11.911 -4.097 1.00 11.11 H new ATOM 0 HE21 GLN A 94 -12.175 -13.440 -3.730 1.00 22.14 H new ATOM 0 HE22 GLN A 94 -11.572 -15.094 -3.582 1.00 22.14 H new ATOM 1388 N SER A 95 -12.417 -9.162 -1.800 1.00 3.02 N ATOM 1389 CA SER A 95 -13.166 -8.481 -0.782 1.00 11.21 C ATOM 1390 C SER A 95 -12.983 -9.227 0.557 1.00 35.34 C ATOM 1391 O SER A 95 -13.103 -10.457 0.623 1.00 70.23 O ATOM 1392 CB SER A 95 -14.666 -8.420 -1.112 1.00 34.22 C ATOM 1393 OG SER A 95 -14.866 -7.812 -2.404 1.00 21.32 O ATOM 0 H SER A 95 -12.983 -9.566 -2.546 1.00 3.02 H new ATOM 0 HA SER A 95 -12.792 -7.459 -0.719 1.00 11.21 H new ATOM 0 HB2 SER A 95 -15.089 -9.425 -1.105 1.00 34.22 H new ATOM 0 HB3 SER A 95 -15.191 -7.848 -0.347 1.00 34.22 H new ATOM 0 HG SER A 95 -15.825 -7.780 -2.605 1.00 21.32 H new ATOM 1399 N PRO A 96 -12.645 -8.466 1.625 1.00 24.54 N ATOM 1400 CA PRO A 96 -12.538 -8.992 2.985 1.00 71.43 C ATOM 1401 C PRO A 96 -13.933 -9.293 3.485 1.00 74.05 C ATOM 1402 O PRO A 96 -14.895 -9.172 2.709 1.00 74.34 O ATOM 1403 CB PRO A 96 -11.890 -7.842 3.783 1.00 30.54 C ATOM 1404 CG PRO A 96 -12.283 -6.570 3.017 1.00 33.22 C ATOM 1405 CD PRO A 96 -12.352 -7.027 1.559 1.00 40.11 C ATOM 0 HA PRO A 96 -11.955 -9.909 3.068 1.00 71.43 H new ATOM 0 HB2 PRO A 96 -12.256 -7.816 4.809 1.00 30.54 H new ATOM 0 HB3 PRO A 96 -10.807 -7.956 3.834 1.00 30.54 H new ATOM 0 HG2 PRO A 96 -13.241 -6.177 3.359 1.00 33.22 H new ATOM 0 HG3 PRO A 96 -11.547 -5.778 3.153 1.00 33.22 H new ATOM 0 HD2 PRO A 96 -13.129 -6.491 1.014 1.00 40.11 H new ATOM 0 HD3 PRO A 96 -11.411 -6.839 1.041 1.00 40.11 H new ATOM 1413 N THR A 97 -14.072 -9.649 4.771 1.00 33.45 N ATOM 1414 CA THR A 97 -15.353 -9.972 5.308 1.00 62.51 C ATOM 1415 C THR A 97 -15.894 -8.665 5.976 1.00 71.02 C ATOM 1416 O THR A 97 -15.086 -7.728 6.211 1.00 45.45 O ATOM 1417 CB THR A 97 -15.283 -11.118 6.329 1.00 21.15 C ATOM 1418 OG1 THR A 97 -16.575 -11.451 6.832 1.00 32.20 O ATOM 1419 CG2 THR A 97 -14.329 -10.733 7.486 1.00 1.31 C ATOM 0 H THR A 97 -13.302 -9.713 5.436 1.00 33.45 H new ATOM 0 HA THR A 97 -16.015 -10.322 4.516 1.00 62.51 H new ATOM 0 HB THR A 97 -14.894 -12.002 5.823 1.00 21.15 H new ATOM 0 HG1 THR A 97 -16.496 -12.184 7.477 1.00 32.20 H new ATOM 0 HG21 THR A 97 -14.283 -11.549 8.207 1.00 1.31 H new ATOM 0 HG22 THR A 97 -13.332 -10.544 7.088 1.00 1.31 H new ATOM 0 HG23 THR A 97 -14.699 -9.834 7.979 1.00 1.31 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 -3.680 1.866 11.233 1.00 71.42 C HETATM 1429 C2 33B A 101 -4.220 3.000 12.136 1.00 11.24 C HETATM 1430 O2 33B A 101 -5.386 2.948 12.569 1.00 64.33 O HETATM 1431 N3 33B A 101 -3.436 4.117 12.406 1.00 43.31 N HETATM 1432 C4 33B A 101 -1.891 4.225 12.368 1.00 13.32 C HETATM 1433 C5 33B A 101 -1.057 3.081 12.179 1.00 72.32 C HETATM 1434 C6 33B A 101 -1.224 5.529 12.580 1.00 50.34 C HETATM 1435 S6 33B A 101 -2.093 7.077 12.931 1.00 62.04 S HETATM 1436 C7 33B A 101 0.323 3.204 12.144 1.00 35.24 C HETATM 1437 C8 33B A 101 0.183 5.580 12.505 1.00 0.44 C HETATM 1438 C9 33B A 101 0.950 4.452 12.286 1.00 0.31 C HETATM 1439 N10 33B A 101 2.432 4.593 12.199 1.00 34.11 N HETATM 1440 N11 33B A 101 3.213 3.635 12.013 1.00 21.44 N HETATM 1441 C12 33B A 101 4.687 3.808 11.876 1.00 55.01 C HETATM 1442 C13 33B A 101 5.491 2.695 11.666 1.00 14.53 C HETATM 1443 C14 33B A 101 5.266 5.083 11.888 1.00 14.00 C HETATM 1444 C15 33B A 101 6.844 2.817 11.403 1.00 52.30 C HETATM 1445 C16 33B A 101 6.635 5.284 11.632 1.00 72.31 C HETATM 1446 C17 33B A 101 7.476 4.103 11.326 1.00 22.14 C HETATM 1447 S17 33B A 101 7.258 6.974 11.689 1.00 54.31 S HETATM 1448 N18 33B A 101 8.993 4.276 10.942 1.00 22.10 N HETATM 1449 C19 33B A 101 9.887 3.287 10.485 1.00 64.24 C HETATM 1450 O19 33B A 101 11.110 3.511 10.431 1.00 54.33 O HETATM 1451 C20 33B A 101 9.342 1.949 9.990 1.00 11.44 C HETATM 1452 O61 33B A 101 -3.375 6.655 13.476 1.00 3.03 O HETATM 1453 O62 33B A 101 -1.201 7.698 13.893 1.00 0.40 O HETATM 1454 O63 33B A 101 -2.137 7.734 11.654 1.00 11.40 O HETATM 1455 O71 33B A 101 8.191 7.035 10.597 1.00 52.55 O HETATM 1456 O72 33B A 101 6.064 7.784 11.524 1.00 74.44 O HETATM 1457 O73 33B A 101 7.835 7.046 13.011 1.00 11.43 O HETATM 0 HO72 33B A 101 6.179 8.636 11.994 1.00 74.44 H new HETATM 0 HO62 33B A 101 -1.568 8.564 14.167 1.00 0.40 H new HETATM 0 HN18 33B A 101 9.375 5.217 11.035 1.00 22.10 H new HETATM 0 HN3 33B A 101 -3.939 4.967 12.660 1.00 43.31 H new HETATM 0 H8 33B A 101 0.682 6.542 12.624 1.00 0.44 H new HETATM 0 H7 33B A 101 0.935 2.313 12.003 1.00 35.24 H new HETATM 0 H5 33B A 101 -1.512 2.098 12.061 1.00 72.32 H new HETATM 0 H15 33B A 101 7.442 1.918 11.251 1.00 52.30 H new HETATM 0 H14 33B A 101 4.637 5.947 12.102 1.00 14.00 H new HETATM 0 H13 33B A 101 5.045 1.701 11.709 1.00 14.53 H new