USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 950 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 58 ASN : amide:sc= 0.786 K(o=1.4,f=-2.7) USER MOD Set 1.2: A 61 LYS NZ :NH3+ -156:sc= 0.569 (180deg=-0.882) USER MOD Set 2.1: A 33 LYS NZ :NH3+ -122:sc= 0.513 (180deg=0) USER MOD Set 2.2: A 34 ASN : amide:sc= 0.506 K(o=1,f=-3.9!) USER MOD Single : A 1 MET CE :methyl 155:sc= -0.602 (180deg=-1.19) USER MOD Single : A 1 MET N :NH3+ -153:sc= 0.961 (180deg=0.302) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0535 USER MOD Single : A 10 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 75:sc= 1.94 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 20 HIS : no HD1:sc= -0.624 K(o=-0.62,f=-2.9) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.015) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.313 K(o=0.31,f=-0.23) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0482 X(o=-0.048,f=0.0017) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 1.26 (180deg=0.839) USER MOD Single : A 84 MET CE :methyl 173:sc= -1.08 (180deg=-1.24) USER MOD Single : A 87 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.26) USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= -0.0114 (180deg=-0.499) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00381 USER MOD Single : A 101 ASN : amide:sc= 0.941 K(o=0.94,f=-0.0046) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 90:sc= 0.107 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0.0322 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.01) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 120 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.00085) USER MOD Single : A 121 HIS : no HD1:sc= -0.0964 X(o=-0.096,f=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.42) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.608 -9.152 -4.961 1.00 0.00 N ATOM 2 CA MET A 1 -3.752 -7.925 -4.164 1.00 0.00 C ATOM 3 C MET A 1 -2.573 -7.704 -3.243 1.00 0.00 C ATOM 4 O MET A 1 -2.109 -8.610 -2.548 1.00 0.00 O ATOM 5 CB MET A 1 -5.089 -7.842 -3.416 1.00 0.00 C ATOM 6 CG MET A 1 -5.268 -6.531 -2.638 1.00 0.00 C ATOM 7 SD MET A 1 -6.995 -6.045 -2.387 1.00 0.00 S ATOM 8 CE MET A 1 -7.438 -5.549 -4.073 1.00 0.00 C ATOM 0 H1 MET A 1 -4.137 -9.052 -5.851 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.602 -9.313 -5.173 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.982 -9.960 -4.424 1.00 0.00 H new ATOM 0 HA MET A 1 -3.760 -7.104 -4.881 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.905 -7.946 -4.131 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.163 -8.681 -2.724 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.785 -6.630 -1.666 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.751 -5.732 -3.170 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.515 -5.648 -4.210 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.145 -4.512 -4.236 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.921 -6.189 -4.788 1.00 0.00 H new ATOM 18 N ILE A 2 -2.097 -6.464 -3.256 1.00 0.00 N ATOM 19 CA ILE A 2 -0.977 -5.941 -2.495 1.00 0.00 C ATOM 20 C ILE A 2 -1.452 -4.546 -2.073 1.00 0.00 C ATOM 21 O ILE A 2 -2.177 -3.910 -2.847 1.00 0.00 O ATOM 22 CB ILE A 2 0.292 -5.870 -3.373 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.396 -7.068 -4.347 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.547 -5.733 -2.512 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.722 -7.188 -5.088 1.00 0.00 C ATOM 0 H ILE A 2 -2.519 -5.746 -3.845 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.706 -6.563 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 2 0.210 -4.974 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.227 -7.987 -3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.406 -6.990 -5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.426 -5.685 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.483 -4.822 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.629 -6.594 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.694 -8.058 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.889 -6.290 -5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.532 -7.303 -4.368 1.00 0.00 H new ATOM 37 N ILE A 3 -1.086 -4.106 -0.874 1.00 0.00 N ATOM 38 CA ILE A 3 -1.645 -3.002 -0.108 1.00 0.00 C ATOM 39 C ILE A 3 -0.470 -2.096 0.241 1.00 0.00 C ATOM 40 O ILE A 3 0.364 -2.474 1.062 1.00 0.00 O ATOM 41 CB ILE A 3 -2.356 -3.563 1.146 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.629 -4.350 0.767 1.00 0.00 C ATOM 43 CG2 ILE A 3 -2.715 -2.432 2.118 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.959 -5.456 1.777 1.00 0.00 C ATOM 0 H ILE A 3 -0.321 -4.555 -0.370 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.394 -2.435 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.662 -4.247 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.471 -3.661 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.498 -4.792 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.214 -2.849 2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.806 -1.918 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.381 -1.725 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.863 -5.978 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.131 -6.163 1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.119 -5.015 2.761 1.00 0.00 H new ATOM 56 N ALA A 4 -0.342 -0.962 -0.448 1.00 0.00 N ATOM 57 CA ALA A 4 0.762 -0.024 -0.209 1.00 0.00 C ATOM 58 C ALA A 4 0.466 0.877 0.974 1.00 0.00 C ATOM 59 O ALA A 4 -0.661 1.352 1.121 1.00 0.00 O ATOM 60 CB ALA A 4 1.046 0.875 -1.414 1.00 0.00 C ATOM 0 H ALA A 4 -0.990 -0.668 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 4 1.635 -0.647 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.871 1.547 -1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.312 0.259 -2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.157 1.460 -1.649 1.00 0.00 H new ATOM 66 N ILE A 5 1.506 1.200 1.741 1.00 0.00 N ATOM 67 CA ILE A 5 1.412 1.987 2.955 1.00 0.00 C ATOM 68 C ILE A 5 2.699 2.828 3.019 1.00 0.00 C ATOM 69 O ILE A 5 3.781 2.273 3.224 1.00 0.00 O ATOM 70 CB ILE A 5 1.239 1.069 4.194 1.00 0.00 C ATOM 71 CG1 ILE A 5 0.212 -0.076 4.005 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.807 1.951 5.372 1.00 0.00 C ATOM 73 CD1 ILE A 5 0.244 -1.100 5.136 1.00 0.00 C ATOM 0 H ILE A 5 2.460 0.911 1.524 1.00 0.00 H new ATOM 0 HA ILE A 5 0.538 2.638 2.952 1.00 0.00 H new ATOM 0 HB ILE A 5 2.196 0.577 4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.789 0.349 3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.410 -0.581 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.677 1.333 6.261 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.572 2.704 5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.135 2.444 5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.498 -1.876 4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.235 -1.551 5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.018 -0.606 6.081 1.00 0.00 H new ATOM 85 N PRO A 6 2.647 4.147 2.767 1.00 0.00 N ATOM 86 CA PRO A 6 3.785 5.025 2.981 1.00 0.00 C ATOM 87 C PRO A 6 3.904 5.283 4.481 1.00 0.00 C ATOM 88 O PRO A 6 2.988 5.831 5.103 1.00 0.00 O ATOM 89 CB PRO A 6 3.476 6.294 2.198 1.00 0.00 C ATOM 90 CG PRO A 6 1.957 6.363 2.202 1.00 0.00 C ATOM 91 CD PRO A 6 1.482 4.914 2.364 1.00 0.00 C ATOM 0 HA PRO A 6 4.735 4.609 2.645 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.917 7.172 2.669 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.871 6.244 1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.595 6.988 3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.581 6.798 1.276 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.693 4.845 3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.070 4.533 1.430 1.00 0.00 H new ATOM 99 N VAL A 7 5.017 4.870 5.066 1.00 0.00 N ATOM 100 CA VAL A 7 5.291 4.909 6.496 1.00 0.00 C ATOM 101 C VAL A 7 6.396 5.920 6.773 1.00 0.00 C ATOM 102 O VAL A 7 7.118 6.300 5.854 1.00 0.00 O ATOM 103 CB VAL A 7 5.648 3.500 6.993 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.391 2.677 7.260 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.525 2.714 6.015 1.00 0.00 C ATOM 0 H VAL A 7 5.793 4.479 4.531 1.00 0.00 H new ATOM 0 HA VAL A 7 4.406 5.231 7.044 1.00 0.00 H new ATOM 0 HB VAL A 7 6.212 3.658 7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.674 1.684 7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.787 3.172 8.020 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.813 2.586 6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.739 1.729 6.429 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.002 2.603 5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.460 3.250 5.853 1.00 0.00 H new ATOM 115 N SER A 8 6.506 6.399 8.012 1.00 0.00 N ATOM 116 CA SER A 8 7.506 7.375 8.408 1.00 0.00 C ATOM 117 C SER A 8 8.836 6.726 8.781 1.00 0.00 C ATOM 118 O SER A 8 9.795 7.469 8.981 1.00 0.00 O ATOM 119 CB SER A 8 6.970 8.211 9.577 1.00 0.00 C ATOM 120 OG SER A 8 6.476 7.426 10.638 1.00 0.00 O ATOM 0 H SER A 8 5.892 6.113 8.775 1.00 0.00 H new ATOM 0 HA SER A 8 7.700 8.020 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.766 8.855 9.950 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.175 8.863 9.215 1.00 0.00 H new ATOM 0 HG SER A 8 6.150 8.011 11.354 1.00 0.00 H new ATOM 126 N GLU A 9 8.900 5.400 8.942 1.00 0.00 N ATOM 127 CA GLU A 9 10.081 4.675 9.394 1.00 0.00 C ATOM 128 C GLU A 9 10.045 3.274 8.787 1.00 0.00 C ATOM 129 O GLU A 9 9.003 2.845 8.278 1.00 0.00 O ATOM 130 CB GLU A 9 10.060 4.546 10.925 1.00 0.00 C ATOM 131 CG GLU A 9 10.078 5.885 11.662 1.00 0.00 C ATOM 132 CD GLU A 9 10.239 5.647 13.161 1.00 0.00 C ATOM 133 OE1 GLU A 9 9.233 5.413 13.866 1.00 0.00 O ATOM 134 OE2 GLU A 9 11.390 5.616 13.645 1.00 0.00 O ATOM 0 H GLU A 9 8.106 4.788 8.755 1.00 0.00 H new ATOM 0 HA GLU A 9 10.980 5.210 9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.169 3.992 11.221 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.921 3.957 11.242 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.896 6.503 11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.154 6.430 11.468 1.00 0.00 H new ATOM 141 N ASN A 10 11.143 2.531 8.923 1.00 0.00 N ATOM 142 CA ASN A 10 11.174 1.103 8.651 1.00 0.00 C ATOM 143 C ASN A 10 11.050 0.368 9.966 1.00 0.00 C ATOM 144 O ASN A 10 11.994 0.314 10.763 1.00 0.00 O ATOM 145 CB ASN A 10 12.394 0.646 7.843 1.00 0.00 C ATOM 146 CG ASN A 10 12.098 -0.708 7.193 1.00 0.00 C ATOM 147 OD1 ASN A 10 11.464 -1.570 7.805 1.00 0.00 O ATOM 148 ND2 ASN A 10 12.484 -0.894 5.941 1.00 0.00 N ATOM 0 H ASN A 10 12.040 2.910 9.227 1.00 0.00 H new ATOM 0 HA ASN A 10 10.330 0.862 8.005 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.634 1.384 7.078 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.265 0.567 8.493 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.258 -1.765 5.462 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.008 -0.166 5.455 1.00 0.00 H new ATOM 155 N ARG A 11 9.855 -0.160 10.237 1.00 0.00 N ATOM 156 CA ARG A 11 9.689 -1.060 11.362 1.00 0.00 C ATOM 157 C ARG A 11 8.798 -2.257 10.995 1.00 0.00 C ATOM 158 O ARG A 11 8.071 -2.747 11.852 1.00 0.00 O ATOM 159 CB ARG A 11 9.094 -0.282 12.555 1.00 0.00 C ATOM 160 CG ARG A 11 9.654 1.099 12.914 1.00 0.00 C ATOM 161 CD ARG A 11 9.063 1.572 14.249 1.00 0.00 C ATOM 162 NE ARG A 11 9.767 2.775 14.718 1.00 0.00 N ATOM 163 CZ ARG A 11 10.649 2.836 15.717 1.00 0.00 C ATOM 164 NH1 ARG A 11 10.714 1.879 16.636 1.00 0.00 N ATOM 165 NH2 ARG A 11 11.494 3.855 15.787 1.00 0.00 N ATOM 0 H ARG A 11 9.007 0.020 9.700 1.00 0.00 H new ATOM 0 HA ARG A 11 10.666 -1.457 11.639 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.027 -0.162 12.367 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.193 -0.913 13.438 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.741 1.053 12.983 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.415 1.814 12.127 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.001 1.787 14.129 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.146 0.780 14.993 1.00 0.00 H new ATOM 0 HE ARG A 11 9.561 3.648 14.232 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.083 1.080 16.585 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.395 1.944 17.392 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.468 4.589 15.079 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.170 3.906 16.549 1.00 0.00 H new ATOM 179 N GLY A 12 8.902 -2.819 9.784 1.00 0.00 N ATOM 180 CA GLY A 12 8.009 -3.895 9.318 1.00 0.00 C ATOM 181 C GLY A 12 6.552 -3.637 9.732 1.00 0.00 C ATOM 182 O GLY A 12 6.021 -2.564 9.427 1.00 0.00 O ATOM 0 H GLY A 12 9.605 -2.543 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.071 -3.976 8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.342 -4.848 9.728 1.00 0.00 H new ATOM 186 N LYS A 13 5.907 -4.567 10.447 1.00 0.00 N ATOM 187 CA LYS A 13 4.551 -4.393 10.976 1.00 0.00 C ATOM 188 C LYS A 13 4.381 -3.134 11.833 1.00 0.00 C ATOM 189 O LYS A 13 3.329 -2.498 11.769 1.00 0.00 O ATOM 190 CB LYS A 13 4.031 -5.626 11.721 1.00 0.00 C ATOM 191 CG LYS A 13 4.841 -6.093 12.929 1.00 0.00 C ATOM 192 CD LYS A 13 5.904 -7.145 12.610 1.00 0.00 C ATOM 193 CE LYS A 13 7.326 -6.578 12.493 1.00 0.00 C ATOM 194 NZ LYS A 13 8.325 -7.453 13.139 1.00 0.00 N ATOM 0 H LYS A 13 6.318 -5.472 10.676 1.00 0.00 H new ATOM 0 HA LYS A 13 3.935 -4.260 10.087 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.014 -5.418 12.054 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.972 -6.452 11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.327 -5.228 13.381 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.157 -6.500 13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.891 -7.908 13.388 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.642 -7.639 11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.581 -6.452 11.441 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.361 -5.589 12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.271 -7.034 13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.098 -7.553 14.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.311 -8.389 12.687 1.00 0.00 H new ATOM 208 N ASP A 14 5.405 -2.764 12.603 1.00 0.00 N ATOM 209 CA ASP A 14 5.375 -1.643 13.537 1.00 0.00 C ATOM 210 C ASP A 14 5.493 -0.298 12.800 1.00 0.00 C ATOM 211 O ASP A 14 5.412 0.737 13.455 1.00 0.00 O ATOM 212 CB ASP A 14 6.440 -1.719 14.677 1.00 0.00 C ATOM 213 CG ASP A 14 7.291 -2.988 14.848 1.00 0.00 C ATOM 214 OD1 ASP A 14 6.745 -4.085 15.108 1.00 0.00 O ATOM 215 OD2 ASP A 14 8.540 -2.906 14.783 1.00 0.00 O ATOM 0 H ASP A 14 6.301 -3.250 12.592 1.00 0.00 H new ATOM 0 HA ASP A 14 4.402 -1.715 14.023 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.127 -0.884 14.536 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.920 -1.548 15.619 1.00 0.00 H new ATOM 220 N SER A 15 5.731 -0.268 11.479 1.00 0.00 N ATOM 221 CA SER A 15 5.952 0.953 10.688 1.00 0.00 C ATOM 222 C SER A 15 4.807 1.953 10.925 1.00 0.00 C ATOM 223 O SER A 15 3.673 1.651 10.551 1.00 0.00 O ATOM 224 CB SER A 15 6.155 0.612 9.220 1.00 0.00 C ATOM 225 OG SER A 15 7.223 -0.291 9.029 1.00 0.00 O ATOM 0 H SER A 15 5.776 -1.117 10.916 1.00 0.00 H new ATOM 0 HA SER A 15 6.869 1.440 11.018 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.239 0.180 8.818 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.349 1.526 8.659 1.00 0.00 H new ATOM 0 HG SER A 15 6.946 -1.189 9.308 1.00 0.00 H new ATOM 231 N PRO A 16 5.055 3.099 11.592 1.00 0.00 N ATOM 232 CA PRO A 16 4.052 4.142 11.760 1.00 0.00 C ATOM 233 C PRO A 16 3.757 4.757 10.393 1.00 0.00 C ATOM 234 O PRO A 16 4.688 5.009 9.624 1.00 0.00 O ATOM 235 CB PRO A 16 4.657 5.162 12.730 1.00 0.00 C ATOM 236 CG PRO A 16 6.153 4.854 12.816 1.00 0.00 C ATOM 237 CD PRO A 16 6.354 3.534 12.082 1.00 0.00 C ATOM 0 HA PRO A 16 3.109 3.769 12.159 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.491 6.179 12.375 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.189 5.087 13.712 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.742 5.649 12.358 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.476 4.776 13.854 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.053 3.659 11.255 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.781 2.786 12.750 1.00 0.00 H new ATOM 245 N ILE A 17 2.483 4.953 10.053 1.00 0.00 N ATOM 246 CA ILE A 17 2.101 5.521 8.770 1.00 0.00 C ATOM 247 C ILE A 17 2.602 6.976 8.658 1.00 0.00 C ATOM 248 O ILE A 17 2.591 7.720 9.641 1.00 0.00 O ATOM 249 CB ILE A 17 0.579 5.336 8.579 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.227 5.329 7.081 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.267 6.355 9.348 1.00 0.00 C ATOM 252 CD1 ILE A 17 -0.974 4.429 6.806 1.00 0.00 C ATOM 0 H ILE A 17 1.695 4.723 10.658 1.00 0.00 H new ATOM 0 HA ILE A 17 2.581 4.999 7.942 1.00 0.00 H new ATOM 0 HB ILE A 17 0.326 4.368 9.010 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.008 6.344 6.750 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.085 4.984 6.504 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.324 6.162 9.165 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.061 6.267 10.415 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.018 7.362 9.012 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.202 4.442 5.740 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.743 3.410 7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.836 4.792 7.366 1.00 0.00 H new ATOM 264 N SER A 18 3.039 7.394 7.468 1.00 0.00 N ATOM 265 CA SER A 18 3.379 8.781 7.169 1.00 0.00 C ATOM 266 C SER A 18 2.093 9.554 6.864 1.00 0.00 C ATOM 267 O SER A 18 0.982 9.017 6.919 1.00 0.00 O ATOM 268 CB SER A 18 4.338 8.835 5.964 1.00 0.00 C ATOM 269 OG SER A 18 4.945 10.112 5.811 1.00 0.00 O ATOM 0 H SER A 18 3.168 6.766 6.675 1.00 0.00 H new ATOM 0 HA SER A 18 3.877 9.235 8.026 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.114 8.079 6.086 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.790 8.585 5.056 1.00 0.00 H new ATOM 0 HG SER A 18 5.545 10.098 5.036 1.00 0.00 H new ATOM 275 N GLU A 19 2.256 10.806 6.447 1.00 0.00 N ATOM 276 CA GLU A 19 1.176 11.599 5.879 1.00 0.00 C ATOM 277 C GLU A 19 1.216 11.463 4.346 1.00 0.00 C ATOM 278 O GLU A 19 0.197 11.309 3.668 1.00 0.00 O ATOM 279 CB GLU A 19 1.362 13.091 6.197 1.00 0.00 C ATOM 280 CG GLU A 19 1.762 13.546 7.609 1.00 0.00 C ATOM 281 CD GLU A 19 2.149 15.028 7.522 1.00 0.00 C ATOM 282 OE1 GLU A 19 1.314 15.842 7.078 1.00 0.00 O ATOM 283 OE2 GLU A 19 3.353 15.354 7.658 1.00 0.00 O ATOM 0 H GLU A 19 3.147 11.300 6.495 1.00 0.00 H new ATOM 0 HA GLU A 19 0.236 11.242 6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.117 13.474 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.425 13.591 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.936 13.406 8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.597 12.953 7.981 1.00 0.00 H new ATOM 290 N HIS A 20 2.419 11.611 3.784 1.00 0.00 N ATOM 291 CA HIS A 20 2.644 11.941 2.385 1.00 0.00 C ATOM 292 C HIS A 20 2.972 10.677 1.615 1.00 0.00 C ATOM 293 O HIS A 20 3.282 9.641 2.193 1.00 0.00 O ATOM 294 CB HIS A 20 3.790 12.968 2.280 1.00 0.00 C ATOM 295 CG HIS A 20 3.645 14.182 3.179 1.00 0.00 C ATOM 296 ND1 HIS A 20 2.806 15.272 2.990 1.00 0.00 N ATOM 297 CD2 HIS A 20 4.281 14.353 4.379 1.00 0.00 C ATOM 298 CE1 HIS A 20 2.910 16.064 4.074 1.00 0.00 C ATOM 299 NE2 HIS A 20 3.795 15.524 4.928 1.00 0.00 N ATOM 0 H HIS A 20 3.285 11.500 4.311 1.00 0.00 H new ATOM 0 HA HIS A 20 1.745 12.382 1.954 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.729 12.468 2.518 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.862 13.306 1.246 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.021 13.698 4.814 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.369 16.985 4.231 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.064 15.914 5.832 1.00 0.00 H new ATOM 308 N PHE A 21 2.907 10.779 0.291 1.00 0.00 N ATOM 309 CA PHE A 21 3.164 9.662 -0.607 1.00 0.00 C ATOM 310 C PHE A 21 4.322 9.988 -1.534 1.00 0.00 C ATOM 311 O PHE A 21 5.242 9.190 -1.646 1.00 0.00 O ATOM 312 CB PHE A 21 1.899 9.356 -1.399 1.00 0.00 C ATOM 313 CG PHE A 21 2.064 8.220 -2.384 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.517 8.477 -3.695 1.00 0.00 C ATOM 315 CD2 PHE A 21 1.794 6.903 -1.971 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.679 7.414 -4.601 1.00 0.00 C ATOM 317 CE2 PHE A 21 1.993 5.841 -2.865 1.00 0.00 C ATOM 318 CZ PHE A 21 2.430 6.100 -4.176 1.00 0.00 C ATOM 0 H PHE A 21 2.672 11.647 -0.191 1.00 0.00 H new ATOM 0 HA PHE A 21 3.440 8.781 -0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.096 9.110 -0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.592 10.252 -1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.739 9.488 -4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.435 6.711 -0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.993 7.607 -5.616 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.811 4.825 -2.547 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.576 5.279 -4.863 1.00 0.00 H new ATOM 328 N GLY A 22 4.294 11.159 -2.178 1.00 0.00 N ATOM 329 CA GLY A 22 5.249 11.549 -3.220 1.00 0.00 C ATOM 330 C GLY A 22 6.623 11.978 -2.697 1.00 0.00 C ATOM 331 O GLY A 22 7.335 12.695 -3.402 1.00 0.00 O ATOM 0 H GLY A 22 3.594 11.876 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.381 10.712 -3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.822 12.369 -3.797 1.00 0.00 H new ATOM 335 N ARG A 23 6.926 11.636 -1.442 1.00 0.00 N ATOM 336 CA ARG A 23 8.154 11.886 -0.690 1.00 0.00 C ATOM 337 C ARG A 23 8.054 11.127 0.641 1.00 0.00 C ATOM 338 O ARG A 23 8.453 11.644 1.685 1.00 0.00 O ATOM 339 CB ARG A 23 8.399 13.414 -0.534 1.00 0.00 C ATOM 340 CG ARG A 23 7.181 14.294 -0.157 1.00 0.00 C ATOM 341 CD ARG A 23 6.958 14.513 1.345 1.00 0.00 C ATOM 342 NE ARG A 23 7.780 15.618 1.854 1.00 0.00 N ATOM 343 CZ ARG A 23 7.441 16.912 1.850 1.00 0.00 C ATOM 344 NH1 ARG A 23 6.256 17.293 1.372 1.00 0.00 N ATOM 345 NH2 ARG A 23 8.310 17.807 2.305 1.00 0.00 N ATOM 0 H ARG A 23 6.249 11.127 -0.873 1.00 0.00 H new ATOM 0 HA ARG A 23 9.031 11.514 -1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.167 13.557 0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.807 13.788 -1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.298 15.267 -0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.284 13.839 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.905 14.725 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.199 13.599 1.887 1.00 0.00 H new ATOM 0 HE ARG A 23 8.691 15.378 2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.605 16.597 1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.000 18.280 1.370 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.221 17.504 2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.067 18.798 2.309 1.00 0.00 H new ATOM 359 N ALA A 24 7.503 9.912 0.624 1.00 0.00 N ATOM 360 CA ALA A 24 7.525 9.018 1.781 1.00 0.00 C ATOM 361 C ALA A 24 8.946 8.427 1.860 1.00 0.00 C ATOM 362 O ALA A 24 9.571 8.284 0.810 1.00 0.00 O ATOM 363 CB ALA A 24 6.499 7.902 1.568 1.00 0.00 C ATOM 0 H ALA A 24 7.030 9.521 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 24 7.277 9.544 2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.509 7.230 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.506 8.337 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.751 7.343 0.667 1.00 0.00 H new ATOM 369 N PRO A 25 9.472 8.065 3.040 1.00 0.00 N ATOM 370 CA PRO A 25 10.806 7.472 3.166 1.00 0.00 C ATOM 371 C PRO A 25 10.883 5.989 2.758 1.00 0.00 C ATOM 372 O PRO A 25 11.969 5.526 2.401 1.00 0.00 O ATOM 373 CB PRO A 25 11.195 7.682 4.631 1.00 0.00 C ATOM 374 CG PRO A 25 9.854 7.730 5.353 1.00 0.00 C ATOM 375 CD PRO A 25 8.940 8.417 4.342 1.00 0.00 C ATOM 0 HA PRO A 25 11.498 7.952 2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.821 6.869 5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.758 8.605 4.768 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.497 6.732 5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.918 8.291 6.285 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.910 8.078 4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.937 9.497 4.486 1.00 0.00 H new ATOM 383 N TYR A 26 9.761 5.255 2.777 1.00 0.00 N ATOM 384 CA TYR A 26 9.648 3.825 2.457 1.00 0.00 C ATOM 385 C TYR A 26 8.290 3.567 1.778 1.00 0.00 C ATOM 386 O TYR A 26 7.452 4.477 1.745 1.00 0.00 O ATOM 387 CB TYR A 26 9.782 2.987 3.741 1.00 0.00 C ATOM 388 CG TYR A 26 11.072 3.166 4.534 1.00 0.00 C ATOM 389 CD1 TYR A 26 11.155 4.168 5.521 1.00 0.00 C ATOM 390 CD2 TYR A 26 12.183 2.330 4.307 1.00 0.00 C ATOM 391 CE1 TYR A 26 12.366 4.420 6.186 1.00 0.00 C ATOM 392 CE2 TYR A 26 13.410 2.591 4.942 1.00 0.00 C ATOM 393 CZ TYR A 26 13.507 3.650 5.873 1.00 0.00 C ATOM 394 OH TYR A 26 14.695 3.905 6.481 1.00 0.00 O ATOM 0 H TYR A 26 8.861 5.664 3.029 1.00 0.00 H new ATOM 0 HA TYR A 26 10.448 3.534 1.776 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.943 3.226 4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.688 1.934 3.474 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.278 4.748 5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 26 12.092 1.484 3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.424 5.198 6.932 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.275 1.984 4.719 1.00 0.00 H new ATOM 0 HH TYR A 26 15.373 3.280 6.149 1.00 0.00 H new ATOM 404 N PHE A 27 8.040 2.358 1.260 1.00 0.00 N ATOM 405 CA PHE A 27 6.705 1.853 0.929 1.00 0.00 C ATOM 406 C PHE A 27 6.591 0.433 1.468 1.00 0.00 C ATOM 407 O PHE A 27 7.184 -0.485 0.903 1.00 0.00 O ATOM 408 CB PHE A 27 6.421 1.834 -0.585 1.00 0.00 C ATOM 409 CG PHE A 27 6.144 3.176 -1.238 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.182 4.051 -0.701 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.779 3.515 -2.446 1.00 0.00 C ATOM 412 CE1 PHE A 27 4.872 5.246 -1.368 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.443 4.698 -3.129 1.00 0.00 C ATOM 414 CZ PHE A 27 5.487 5.571 -2.587 1.00 0.00 C ATOM 0 H PHE A 27 8.781 1.688 1.055 1.00 0.00 H new ATOM 0 HA PHE A 27 5.975 2.525 1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.275 1.380 -1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.564 1.184 -0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.682 3.803 0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.534 2.859 -2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.151 5.925 -0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.920 4.934 -4.069 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.227 6.484 -3.103 1.00 0.00 H new ATOM 424 N ALA A 28 5.774 0.231 2.502 1.00 0.00 N ATOM 425 CA ALA A 28 5.360 -1.103 2.893 1.00 0.00 C ATOM 426 C ALA A 28 4.237 -1.540 1.951 1.00 0.00 C ATOM 427 O ALA A 28 3.109 -1.079 2.098 1.00 0.00 O ATOM 428 CB ALA A 28 4.924 -1.106 4.363 1.00 0.00 C ATOM 0 H ALA A 28 5.390 0.979 3.080 1.00 0.00 H new ATOM 0 HA ALA A 28 6.183 -1.813 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.615 -2.111 4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.758 -0.791 4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.089 -0.418 4.496 1.00 0.00 H new ATOM 434 N PHE A 29 4.530 -2.381 0.958 1.00 0.00 N ATOM 435 CA PHE A 29 3.519 -3.127 0.233 1.00 0.00 C ATOM 436 C PHE A 29 3.306 -4.438 0.995 1.00 0.00 C ATOM 437 O PHE A 29 4.150 -5.337 0.976 1.00 0.00 O ATOM 438 CB PHE A 29 3.970 -3.342 -1.218 1.00 0.00 C ATOM 439 CG PHE A 29 3.371 -2.393 -2.259 1.00 0.00 C ATOM 440 CD1 PHE A 29 1.974 -2.260 -2.406 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.205 -1.690 -3.150 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.418 -1.393 -3.357 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.640 -0.896 -4.171 1.00 0.00 C ATOM 444 CZ PHE A 29 2.249 -0.704 -4.250 1.00 0.00 C ATOM 0 H PHE A 29 5.482 -2.560 0.638 1.00 0.00 H new ATOM 0 HA PHE A 29 2.572 -2.591 0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.056 -3.252 -1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.725 -4.365 -1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.319 -2.839 -1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.278 -1.759 -3.052 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.348 -1.256 -3.401 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.285 -0.430 -4.901 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.828 -0.036 -4.987 1.00 0.00 H new ATOM 454 N VAL A 30 2.203 -4.549 1.722 1.00 0.00 N ATOM 455 CA VAL A 30 1.761 -5.793 2.350 1.00 0.00 C ATOM 456 C VAL A 30 0.967 -6.579 1.311 1.00 0.00 C ATOM 457 O VAL A 30 0.467 -5.992 0.357 1.00 0.00 O ATOM 458 CB VAL A 30 0.919 -5.468 3.605 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.780 -6.700 4.510 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.554 -4.333 4.428 1.00 0.00 C ATOM 0 H VAL A 30 1.576 -3.764 1.897 1.00 0.00 H new ATOM 0 HA VAL A 30 2.606 -6.398 2.681 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.063 -5.156 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.183 -6.443 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.290 -7.503 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.768 -7.030 4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.937 -4.129 5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.552 -4.631 4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.623 -3.434 3.815 1.00 0.00 H new ATOM 470 N LYS A 31 0.850 -7.896 1.442 1.00 0.00 N ATOM 471 CA LYS A 31 -0.021 -8.695 0.584 1.00 0.00 C ATOM 472 C LYS A 31 -1.327 -8.959 1.326 1.00 0.00 C ATOM 473 O LYS A 31 -1.650 -8.295 2.309 1.00 0.00 O ATOM 474 CB LYS A 31 0.718 -9.962 0.121 1.00 0.00 C ATOM 475 CG LYS A 31 1.923 -9.623 -0.762 1.00 0.00 C ATOM 476 CD LYS A 31 2.167 -10.643 -1.879 1.00 0.00 C ATOM 477 CE LYS A 31 1.173 -10.417 -3.021 1.00 0.00 C ATOM 478 NZ LYS A 31 1.171 -11.498 -4.023 1.00 0.00 N ATOM 0 H LYS A 31 1.354 -8.439 2.143 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.282 -8.163 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.052 -10.527 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.031 -10.603 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.773 -8.639 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.814 -9.559 -0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.188 -10.550 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.061 -11.655 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.171 -10.317 -2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.409 -9.475 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.477 -11.281 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.117 -11.580 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.918 -12.396 -3.564 1.00 0.00 H new ATOM 492 N VAL A 32 -2.105 -9.908 0.823 1.00 0.00 N ATOM 493 CA VAL A 32 -3.176 -10.540 1.560 1.00 0.00 C ATOM 494 C VAL A 32 -3.285 -11.963 1.032 1.00 0.00 C ATOM 495 O VAL A 32 -3.052 -12.226 -0.154 1.00 0.00 O ATOM 496 CB VAL A 32 -4.471 -9.702 1.429 1.00 0.00 C ATOM 497 CG1 VAL A 32 -4.905 -9.515 -0.034 1.00 0.00 C ATOM 498 CG2 VAL A 32 -5.636 -10.289 2.240 1.00 0.00 C ATOM 0 H VAL A 32 -2.002 -10.263 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.986 -10.589 2.632 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.222 -8.725 1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.818 -8.921 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.116 -9.002 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.089 -10.490 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.519 -9.663 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.852 -11.298 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.364 -10.323 3.295 1.00 0.00 H new ATOM 508 N LYS A 33 -3.658 -12.897 1.895 1.00 0.00 N ATOM 509 CA LYS A 33 -4.173 -14.201 1.512 1.00 0.00 C ATOM 510 C LYS A 33 -5.274 -14.491 2.505 1.00 0.00 C ATOM 511 O LYS A 33 -5.019 -14.473 3.704 1.00 0.00 O ATOM 512 CB LYS A 33 -3.051 -15.250 1.556 1.00 0.00 C ATOM 513 CG LYS A 33 -3.446 -16.677 1.135 1.00 0.00 C ATOM 514 CD LYS A 33 -3.692 -16.824 -0.378 1.00 0.00 C ATOM 515 CE LYS A 33 -5.178 -16.720 -0.753 1.00 0.00 C ATOM 516 NZ LYS A 33 -5.757 -18.035 -1.091 1.00 0.00 N ATOM 0 H LYS A 33 -3.609 -12.764 2.905 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.555 -14.225 0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.240 -14.913 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.656 -15.288 2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.658 -17.367 1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.348 -16.969 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.133 -16.053 -0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.304 -17.786 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.732 -16.283 0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.291 -16.045 -1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.144 -18.006 -2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.018 -18.764 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.518 -18.262 -0.420 1.00 0.00 H new ATOM 530 N ASN A 34 -6.491 -14.740 2.026 1.00 0.00 N ATOM 531 CA ASN A 34 -7.581 -15.254 2.858 1.00 0.00 C ATOM 532 C ASN A 34 -7.995 -14.323 4.008 1.00 0.00 C ATOM 533 O ASN A 34 -8.664 -14.781 4.929 1.00 0.00 O ATOM 534 CB ASN A 34 -7.268 -16.698 3.316 1.00 0.00 C ATOM 535 CG ASN A 34 -7.848 -17.691 2.331 1.00 0.00 C ATOM 536 OD1 ASN A 34 -7.569 -17.631 1.134 1.00 0.00 O ATOM 537 ND2 ASN A 34 -8.648 -18.628 2.802 1.00 0.00 N ATOM 0 H ASN A 34 -6.751 -14.592 1.051 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.472 -15.285 2.231 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.190 -16.838 3.394 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.684 -16.872 4.308 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.049 -19.321 2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.866 -18.659 3.798 1.00 0.00 H new ATOM 544 N ASN A 35 -7.676 -13.024 3.927 1.00 0.00 N ATOM 545 CA ASN A 35 -7.927 -11.954 4.913 1.00 0.00 C ATOM 546 C ASN A 35 -6.812 -11.854 5.957 1.00 0.00 C ATOM 547 O ASN A 35 -6.965 -11.126 6.935 1.00 0.00 O ATOM 548 CB ASN A 35 -9.275 -12.064 5.647 1.00 0.00 C ATOM 549 CG ASN A 35 -9.839 -10.688 5.975 1.00 0.00 C ATOM 550 OD1 ASN A 35 -10.270 -9.980 5.071 1.00 0.00 O ATOM 551 ND2 ASN A 35 -9.885 -10.291 7.235 1.00 0.00 N ATOM 0 H ASN A 35 -7.196 -12.661 3.104 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.955 -11.050 4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.985 -12.613 5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.146 -12.635 6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.284 -9.382 7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.522 -10.894 7.973 1.00 0.00 H new ATOM 558 N ALA A 36 -5.701 -12.565 5.770 1.00 0.00 N ATOM 559 CA ALA A 36 -4.508 -12.431 6.583 1.00 0.00 C ATOM 560 C ALA A 36 -3.417 -11.791 5.722 1.00 0.00 C ATOM 561 O ALA A 36 -3.593 -11.654 4.511 1.00 0.00 O ATOM 562 CB ALA A 36 -4.097 -13.805 7.112 1.00 0.00 C ATOM 0 H ALA A 36 -5.610 -13.263 5.032 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.685 -11.793 7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.200 -13.706 7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.904 -14.219 7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.893 -14.471 6.274 1.00 0.00 H new ATOM 568 N ILE A 37 -2.298 -11.394 6.327 1.00 0.00 N ATOM 569 CA ILE A 37 -1.294 -10.483 5.776 1.00 0.00 C ATOM 570 C ILE A 37 -0.598 -11.063 4.543 1.00 0.00 C ATOM 571 O ILE A 37 -0.102 -10.306 3.709 1.00 0.00 O ATOM 572 CB ILE A 37 -0.320 -10.113 6.938 1.00 0.00 C ATOM 573 CG1 ILE A 37 -0.785 -8.840 7.682 1.00 0.00 C ATOM 574 CG2 ILE A 37 1.153 -9.918 6.535 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.161 -8.950 8.352 1.00 0.00 C ATOM 0 H ILE A 37 -2.054 -11.716 7.264 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.762 -9.573 5.401 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.359 -10.990 7.584 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.045 -8.591 8.443 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.807 -8.011 6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.741 -9.664 7.417 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.535 -10.840 6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.227 -9.112 5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.400 -8.009 8.848 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.917 -9.165 7.597 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.144 -9.754 9.088 1.00 0.00 H new ATOM 587 N ALA A 38 -0.594 -12.385 4.382 1.00 0.00 N ATOM 588 CA ALA A 38 0.313 -13.151 3.542 1.00 0.00 C ATOM 589 C ALA A 38 1.784 -12.804 3.788 1.00 0.00 C ATOM 590 O ALA A 38 2.514 -13.637 4.323 1.00 0.00 O ATOM 591 CB ALA A 38 -0.086 -13.025 2.074 1.00 0.00 C ATOM 0 H ALA A 38 -1.266 -12.982 4.865 1.00 0.00 H new ATOM 0 HA ALA A 38 0.218 -14.200 3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.603 -13.604 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.099 -13.403 1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.047 -11.978 1.775 1.00 0.00 H new ATOM 597 N ASP A 39 2.236 -11.629 3.354 1.00 0.00 N ATOM 598 CA ASP A 39 3.659 -11.299 3.276 1.00 0.00 C ATOM 599 C ASP A 39 3.912 -9.787 3.298 1.00 0.00 C ATOM 600 O ASP A 39 3.050 -9.004 2.889 1.00 0.00 O ATOM 601 CB ASP A 39 4.220 -11.904 1.984 1.00 0.00 C ATOM 602 CG ASP A 39 5.707 -12.160 2.139 1.00 0.00 C ATOM 603 OD1 ASP A 39 6.488 -11.215 1.898 1.00 0.00 O ATOM 604 OD2 ASP A 39 6.076 -13.260 2.598 1.00 0.00 O ATOM 0 H ASP A 39 1.623 -10.875 3.045 1.00 0.00 H new ATOM 0 HA ASP A 39 4.158 -11.713 4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.703 -12.836 1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.044 -11.227 1.148 1.00 0.00 H new ATOM 609 N ILE A 40 5.107 -9.356 3.708 1.00 0.00 N ATOM 610 CA ILE A 40 5.482 -7.963 3.964 1.00 0.00 C ATOM 611 C ILE A 40 6.673 -7.618 3.058 1.00 0.00 C ATOM 612 O ILE A 40 7.687 -8.315 3.065 1.00 0.00 O ATOM 613 CB ILE A 40 5.807 -7.796 5.472 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.538 -7.917 6.364 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.601 -6.507 5.770 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.814 -6.611 6.748 1.00 0.00 C ATOM 0 H ILE A 40 5.878 -10.001 3.879 1.00 0.00 H new ATOM 0 HA ILE A 40 4.670 -7.274 3.733 1.00 0.00 H new ATOM 0 HB ILE A 40 6.460 -8.628 5.735 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.824 -8.559 5.848 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.820 -8.429 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.801 -6.442 6.840 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.545 -6.527 5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.019 -5.640 5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.949 -6.844 7.369 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.496 -5.966 7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.484 -6.099 5.844 1.00 0.00 H new ATOM 628 N SER A 41 6.553 -6.521 2.306 1.00 0.00 N ATOM 629 CA SER A 41 7.593 -5.933 1.475 1.00 0.00 C ATOM 630 C SER A 41 7.798 -4.516 2.001 1.00 0.00 C ATOM 631 O SER A 41 6.995 -3.638 1.689 1.00 0.00 O ATOM 632 CB SER A 41 7.123 -5.913 0.013 1.00 0.00 C ATOM 633 OG SER A 41 8.194 -5.729 -0.887 1.00 0.00 O ATOM 0 H SER A 41 5.680 -5.996 2.262 1.00 0.00 H new ATOM 0 HA SER A 41 8.524 -6.498 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.614 -6.849 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.395 -5.113 -0.122 1.00 0.00 H new ATOM 0 HG SER A 41 7.852 -5.724 -1.805 1.00 0.00 H new ATOM 639 N VAL A 42 8.795 -4.290 2.853 1.00 0.00 N ATOM 640 CA VAL A 42 9.025 -2.992 3.486 1.00 0.00 C ATOM 641 C VAL A 42 10.252 -2.344 2.841 1.00 0.00 C ATOM 642 O VAL A 42 11.277 -2.093 3.468 1.00 0.00 O ATOM 643 CB VAL A 42 8.986 -3.133 5.022 1.00 0.00 C ATOM 644 CG1 VAL A 42 10.065 -4.036 5.638 1.00 0.00 C ATOM 645 CG2 VAL A 42 8.976 -1.743 5.663 1.00 0.00 C ATOM 0 H VAL A 42 9.470 -5.005 3.126 1.00 0.00 H new ATOM 0 HA VAL A 42 8.225 -2.274 3.304 1.00 0.00 H new ATOM 0 HB VAL A 42 8.060 -3.662 5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.943 -4.062 6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.967 -5.045 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.052 -3.643 5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.948 -1.843 6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.876 -1.201 5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.097 -1.194 5.327 1.00 0.00 H new ATOM 655 N GLU A 43 10.129 -2.108 1.539 1.00 0.00 N ATOM 656 CA GLU A 43 11.211 -1.637 0.690 1.00 0.00 C ATOM 657 C GLU A 43 11.341 -0.122 0.915 1.00 0.00 C ATOM 658 O GLU A 43 10.343 0.563 1.190 1.00 0.00 O ATOM 659 CB GLU A 43 10.888 -1.940 -0.790 1.00 0.00 C ATOM 660 CG GLU A 43 10.287 -3.330 -1.111 1.00 0.00 C ATOM 661 CD GLU A 43 11.258 -4.327 -1.741 1.00 0.00 C ATOM 662 OE1 GLU A 43 11.970 -5.051 -1.008 1.00 0.00 O ATOM 663 OE2 GLU A 43 11.272 -4.410 -2.993 1.00 0.00 O ATOM 0 H GLU A 43 9.252 -2.243 1.035 1.00 0.00 H new ATOM 0 HA GLU A 43 12.147 -2.139 0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.192 -1.180 -1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.806 -1.827 -1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.896 -3.761 -0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.441 -3.196 -1.785 1.00 0.00 H new ATOM 670 N GLU A 44 12.548 0.433 0.780 1.00 0.00 N ATOM 671 CA GLU A 44 12.731 1.876 0.844 1.00 0.00 C ATOM 672 C GLU A 44 12.030 2.548 -0.338 1.00 0.00 C ATOM 673 O GLU A 44 11.707 1.913 -1.345 1.00 0.00 O ATOM 674 CB GLU A 44 14.213 2.300 0.875 1.00 0.00 C ATOM 675 CG GLU A 44 15.144 1.469 1.769 1.00 0.00 C ATOM 676 CD GLU A 44 15.844 0.383 0.956 1.00 0.00 C ATOM 677 OE1 GLU A 44 15.165 -0.594 0.565 1.00 0.00 O ATOM 678 OE2 GLU A 44 17.035 0.535 0.610 1.00 0.00 O ATOM 0 H GLU A 44 13.406 -0.096 0.627 1.00 0.00 H new ATOM 0 HA GLU A 44 12.286 2.203 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.599 2.267 -0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.264 3.339 1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.886 2.119 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.570 1.013 2.576 1.00 0.00 H new ATOM 685 N ASN A 45 11.817 3.859 -0.234 1.00 0.00 N ATOM 686 CA ASN A 45 11.341 4.644 -1.357 1.00 0.00 C ATOM 687 C ASN A 45 12.579 5.001 -2.174 1.00 0.00 C ATOM 688 O ASN A 45 13.414 5.755 -1.668 1.00 0.00 O ATOM 689 CB ASN A 45 10.607 5.901 -0.874 1.00 0.00 C ATOM 690 CG ASN A 45 9.267 6.065 -1.550 1.00 0.00 C ATOM 691 OD1 ASN A 45 9.178 6.528 -2.687 1.00 0.00 O ATOM 692 ND2 ASN A 45 8.192 5.714 -0.868 1.00 0.00 N ATOM 0 H ASN A 45 11.969 4.395 0.621 1.00 0.00 H new ATOM 0 HA ASN A 45 10.623 4.087 -1.959 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.465 5.846 0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.223 6.779 -1.070 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.267 5.825 -1.282 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.287 5.332 0.073 1.00 0.00 H new ATOM 699 N PRO A 46 12.718 4.532 -3.423 1.00 0.00 N ATOM 700 CA PRO A 46 13.924 4.765 -4.219 1.00 0.00 C ATOM 701 C PRO A 46 14.083 6.235 -4.628 1.00 0.00 C ATOM 702 O PRO A 46 15.091 6.621 -5.215 1.00 0.00 O ATOM 703 CB PRO A 46 13.763 3.864 -5.444 1.00 0.00 C ATOM 704 CG PRO A 46 12.251 3.751 -5.619 1.00 0.00 C ATOM 705 CD PRO A 46 11.739 3.766 -4.180 1.00 0.00 C ATOM 0 HA PRO A 46 14.824 4.536 -3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.236 4.299 -6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.221 2.888 -5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.848 4.581 -6.200 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.972 2.834 -6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 46 10.752 4.224 -4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.645 2.754 -3.787 1.00 0.00 H new ATOM 713 N LEU A 47 13.070 7.058 -4.348 1.00 0.00 N ATOM 714 CA LEU A 47 12.985 8.473 -4.658 1.00 0.00 C ATOM 715 C LEU A 47 12.447 9.190 -3.416 1.00 0.00 C ATOM 716 O LEU A 47 11.594 10.071 -3.538 1.00 0.00 O ATOM 717 CB LEU A 47 12.065 8.665 -5.856 1.00 0.00 C ATOM 718 CG LEU A 47 12.720 8.239 -7.178 1.00 0.00 C ATOM 719 CD1 LEU A 47 11.674 7.584 -8.046 1.00 0.00 C ATOM 720 CD2 LEU A 47 13.312 9.445 -7.912 1.00 0.00 C ATOM 0 H LEU A 47 12.235 6.724 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 47 13.960 8.887 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.152 8.088 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.773 9.713 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 47 13.530 7.542 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.125 7.276 -8.989 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.271 6.710 -7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.869 8.292 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.769 9.115 -8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.521 10.163 -8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.068 9.918 -7.285 1.00 0.00 H new ATOM 732 N ALA A 48 12.871 8.809 -2.207 1.00 0.00 N ATOM 733 CA ALA A 48 12.298 9.361 -0.979 1.00 0.00 C ATOM 734 C ALA A 48 12.491 10.877 -0.899 1.00 0.00 C ATOM 735 O ALA A 48 11.610 11.597 -0.416 1.00 0.00 O ATOM 736 CB ALA A 48 12.958 8.702 0.238 1.00 0.00 C ATOM 0 H ALA A 48 13.608 8.121 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 48 11.228 9.154 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.530 9.114 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.783 7.626 0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.030 8.896 0.220 1.00 0.00 H new ATOM 742 N GLN A 49 13.628 11.378 -1.388 1.00 0.00 N ATOM 743 CA GLN A 49 13.933 12.807 -1.431 1.00 0.00 C ATOM 744 C GLN A 49 14.976 13.124 -2.515 1.00 0.00 C ATOM 745 O GLN A 49 15.635 14.162 -2.450 1.00 0.00 O ATOM 746 CB GLN A 49 14.387 13.311 -0.039 1.00 0.00 C ATOM 747 CG GLN A 49 13.900 14.755 0.184 1.00 0.00 C ATOM 748 CD GLN A 49 14.737 15.533 1.195 1.00 0.00 C ATOM 749 OE1 GLN A 49 15.492 16.422 0.820 1.00 0.00 O ATOM 750 NE2 GLN A 49 14.572 15.311 2.488 1.00 0.00 N ATOM 0 H GLN A 49 14.371 10.793 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 49 13.021 13.340 -1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.989 12.660 0.740 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.474 13.270 0.035 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.911 15.285 -0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.864 14.732 0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.944 14.571 2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 49 15.073 15.879 3.171 1.00 0.00 H new ATOM 759 N ASP A 50 15.135 12.246 -3.507 1.00 0.00 N ATOM 760 CA ASP A 50 16.347 12.207 -4.323 1.00 0.00 C ATOM 761 C ASP A 50 16.208 13.129 -5.532 1.00 0.00 C ATOM 762 O ASP A 50 16.902 14.141 -5.622 1.00 0.00 O ATOM 763 CB ASP A 50 16.711 10.765 -4.722 1.00 0.00 C ATOM 764 CG ASP A 50 18.108 10.688 -5.357 1.00 0.00 C ATOM 765 OD1 ASP A 50 18.915 11.627 -5.159 1.00 0.00 O ATOM 766 OD2 ASP A 50 18.394 9.721 -6.096 1.00 0.00 O ATOM 0 H ASP A 50 14.435 11.550 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 50 17.178 12.579 -3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.675 10.123 -3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.970 10.383 -5.425 1.00 0.00 H new ATOM 771 N HIS A 51 15.268 12.823 -6.438 1.00 0.00 N ATOM 772 CA HIS A 51 15.039 13.563 -7.691 1.00 0.00 C ATOM 773 C HIS A 51 13.729 14.375 -7.673 1.00 0.00 C ATOM 774 O HIS A 51 13.404 15.045 -8.650 1.00 0.00 O ATOM 775 CB HIS A 51 15.150 12.583 -8.877 1.00 0.00 C ATOM 776 CG HIS A 51 15.582 13.205 -10.187 1.00 0.00 C ATOM 777 ND1 HIS A 51 16.850 13.683 -10.473 1.00 0.00 N ATOM 778 CD2 HIS A 51 14.824 13.312 -11.323 1.00 0.00 C ATOM 779 CE1 HIS A 51 16.851 14.086 -11.756 1.00 0.00 C ATOM 780 NE2 HIS A 51 15.632 13.880 -12.292 1.00 0.00 N ATOM 0 H HIS A 51 14.630 12.036 -6.319 1.00 0.00 H new ATOM 0 HA HIS A 51 15.813 14.322 -7.807 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.859 11.798 -8.614 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.183 12.103 -9.023 1.00 0.00 H new ATOM 0 HD2 HIS A 51 13.793 13.011 -11.440 1.00 0.00 H new ATOM 0 HE1 HIS A 51 17.698 14.509 -12.276 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.353 14.104 -13.247 1.00 0.00 H new ATOM 789 N VAL A 52 12.966 14.281 -6.578 1.00 0.00 N ATOM 790 CA VAL A 52 11.811 15.068 -6.125 1.00 0.00 C ATOM 791 C VAL A 52 10.950 15.701 -7.236 1.00 0.00 C ATOM 792 O VAL A 52 10.740 16.916 -7.269 1.00 0.00 O ATOM 793 CB VAL A 52 12.248 16.086 -5.044 1.00 0.00 C ATOM 794 CG1 VAL A 52 12.612 15.344 -3.753 1.00 0.00 C ATOM 795 CG2 VAL A 52 13.433 16.963 -5.475 1.00 0.00 C ATOM 0 H VAL A 52 13.173 13.551 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 52 11.123 14.350 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 52 11.400 16.752 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.919 16.064 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.745 14.788 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.431 14.652 -3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.687 17.653 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.293 16.330 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.162 17.529 -6.366 1.00 0.00 H new ATOM 805 N HIS A 53 10.412 14.872 -8.137 1.00 0.00 N ATOM 806 CA HIS A 53 9.640 15.322 -9.298 1.00 0.00 C ATOM 807 C HIS A 53 8.426 14.436 -9.529 1.00 0.00 C ATOM 808 O HIS A 53 7.289 14.901 -9.534 1.00 0.00 O ATOM 809 CB HIS A 53 10.533 15.334 -10.555 1.00 0.00 C ATOM 810 CG HIS A 53 10.850 16.713 -11.056 1.00 0.00 C ATOM 811 ND1 HIS A 53 10.711 17.134 -12.364 1.00 0.00 N ATOM 812 CD2 HIS A 53 11.375 17.739 -10.326 1.00 0.00 C ATOM 813 CE1 HIS A 53 11.115 18.417 -12.416 1.00 0.00 C ATOM 814 NE2 HIS A 53 11.526 18.798 -11.192 1.00 0.00 N ATOM 0 H HIS A 53 10.502 13.858 -8.079 1.00 0.00 H new ATOM 0 HA HIS A 53 9.287 16.334 -9.098 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.465 14.814 -10.333 1.00 0.00 H new ATOM 0 HB3 HIS A 53 10.037 14.774 -11.348 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.623 17.723 -9.275 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.110 19.040 -13.298 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.889 19.719 -10.947 1.00 0.00 H new ATOM 823 N GLY A 54 8.677 13.162 -9.790 1.00 0.00 N ATOM 824 CA GLY A 54 7.729 12.169 -10.251 1.00 0.00 C ATOM 825 C GLY A 54 8.421 10.834 -10.044 1.00 0.00 C ATOM 826 O GLY A 54 9.209 10.717 -9.103 1.00 0.00 O ATOM 0 H GLY A 54 9.613 12.772 -9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.798 12.222 -9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.476 12.323 -11.300 1.00 0.00 H new ATOM 830 N ALA A 55 8.140 9.853 -10.903 1.00 0.00 N ATOM 831 CA ALA A 55 8.770 8.531 -11.006 1.00 0.00 C ATOM 832 C ALA A 55 8.657 7.614 -9.780 1.00 0.00 C ATOM 833 O ALA A 55 8.668 6.400 -9.967 1.00 0.00 O ATOM 834 CB ALA A 55 10.220 8.665 -11.452 1.00 0.00 C ATOM 0 H ALA A 55 7.407 9.970 -11.602 1.00 0.00 H new ATOM 0 HA ALA A 55 8.179 8.016 -11.764 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.672 7.676 -11.523 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.257 9.152 -12.427 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.770 9.264 -10.726 1.00 0.00 H new ATOM 840 N VAL A 56 8.393 8.150 -8.585 1.00 0.00 N ATOM 841 CA VAL A 56 7.951 7.429 -7.399 1.00 0.00 C ATOM 842 C VAL A 56 6.847 6.437 -7.819 1.00 0.00 C ATOM 843 O VAL A 56 6.965 5.265 -7.472 1.00 0.00 O ATOM 844 CB VAL A 56 7.468 8.444 -6.327 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.321 7.969 -5.424 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.616 9.009 -5.486 1.00 0.00 C ATOM 0 H VAL A 56 8.488 9.151 -8.415 1.00 0.00 H new ATOM 0 HA VAL A 56 8.766 6.860 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 56 7.044 9.246 -6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.066 8.757 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.449 7.735 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.632 7.077 -4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.219 9.712 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.123 8.195 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.324 9.523 -6.136 1.00 0.00 H new ATOM 856 N PRO A 57 5.795 6.832 -8.583 1.00 0.00 N ATOM 857 CA PRO A 57 4.750 5.888 -8.943 1.00 0.00 C ATOM 858 C PRO A 57 5.240 4.887 -9.992 1.00 0.00 C ATOM 859 O PRO A 57 4.654 3.820 -10.109 1.00 0.00 O ATOM 860 CB PRO A 57 3.613 6.720 -9.537 1.00 0.00 C ATOM 861 CG PRO A 57 4.295 7.958 -10.090 1.00 0.00 C ATOM 862 CD PRO A 57 5.518 8.132 -9.197 1.00 0.00 C ATOM 0 HA PRO A 57 4.437 5.317 -8.069 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.088 6.173 -10.320 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.874 6.979 -8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.578 7.825 -11.134 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.640 8.828 -10.045 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.374 8.473 -9.779 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.332 8.887 -8.433 1.00 0.00 H new ATOM 870 N ASN A 58 6.248 5.217 -10.808 1.00 0.00 N ATOM 871 CA ASN A 58 6.710 4.302 -11.846 1.00 0.00 C ATOM 872 C ASN A 58 7.448 3.116 -11.246 1.00 0.00 C ATOM 873 O ASN A 58 7.382 2.029 -11.815 1.00 0.00 O ATOM 874 CB ASN A 58 7.564 4.990 -12.913 1.00 0.00 C ATOM 875 CG ASN A 58 7.516 4.140 -14.177 1.00 0.00 C ATOM 876 OD1 ASN A 58 6.462 4.071 -14.813 1.00 0.00 O ATOM 877 ND2 ASN A 58 8.603 3.499 -14.565 1.00 0.00 N ATOM 0 H ASN A 58 6.752 6.103 -10.767 1.00 0.00 H new ATOM 0 HA ASN A 58 5.815 3.937 -12.349 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.187 5.993 -13.114 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.592 5.099 -12.566 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.584 2.929 -15.410 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.461 3.574 -14.019 1.00 0.00 H new ATOM 884 N PHE A 59 8.079 3.311 -10.085 1.00 0.00 N ATOM 885 CA PHE A 59 8.497 2.214 -9.232 1.00 0.00 C ATOM 886 C PHE A 59 7.264 1.422 -8.807 1.00 0.00 C ATOM 887 O PHE A 59 7.070 0.317 -9.285 1.00 0.00 O ATOM 888 CB PHE A 59 9.309 2.732 -8.038 1.00 0.00 C ATOM 889 CG PHE A 59 9.448 1.724 -6.914 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.020 0.466 -7.173 1.00 0.00 C ATOM 891 CD2 PHE A 59 8.992 2.035 -5.618 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.198 -0.455 -6.130 1.00 0.00 C ATOM 893 CE2 PHE A 59 9.154 1.098 -4.579 1.00 0.00 C ATOM 894 CZ PHE A 59 9.759 -0.143 -4.836 1.00 0.00 C ATOM 0 H PHE A 59 8.310 4.234 -9.718 1.00 0.00 H new ATOM 0 HA PHE A 59 9.159 1.543 -9.780 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.303 3.019 -8.382 1.00 0.00 H new ATOM 0 HB3 PHE A 59 8.834 3.633 -7.650 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.323 0.208 -8.177 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.521 2.987 -5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.674 -1.405 -6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.812 1.334 -3.582 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.886 -0.857 -4.036 1.00 0.00 H new ATOM 904 N VAL A 60 6.397 1.949 -7.942 1.00 0.00 N ATOM 905 CA VAL A 60 5.355 1.121 -7.322 1.00 0.00 C ATOM 906 C VAL A 60 4.344 0.514 -8.311 1.00 0.00 C ATOM 907 O VAL A 60 3.719 -0.499 -8.000 1.00 0.00 O ATOM 908 CB VAL A 60 4.649 1.883 -6.192 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.515 1.917 -4.923 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.302 3.318 -6.549 1.00 0.00 C ATOM 0 H VAL A 60 6.392 2.928 -7.656 1.00 0.00 H new ATOM 0 HA VAL A 60 5.879 0.264 -6.899 1.00 0.00 H new ATOM 0 HB VAL A 60 3.722 1.335 -6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.990 2.463 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.710 0.898 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.460 2.414 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.806 3.794 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.214 3.864 -6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.636 3.327 -7.412 1.00 0.00 H new ATOM 920 N LYS A 61 4.174 1.074 -9.508 1.00 0.00 N ATOM 921 CA LYS A 61 3.393 0.449 -10.577 1.00 0.00 C ATOM 922 C LYS A 61 4.029 -0.843 -11.097 1.00 0.00 C ATOM 923 O LYS A 61 3.322 -1.655 -11.684 1.00 0.00 O ATOM 924 CB LYS A 61 3.162 1.415 -11.740 1.00 0.00 C ATOM 925 CG LYS A 61 2.104 2.492 -11.441 1.00 0.00 C ATOM 926 CD LYS A 61 1.905 3.501 -12.572 1.00 0.00 C ATOM 927 CE LYS A 61 3.194 4.054 -13.203 1.00 0.00 C ATOM 928 NZ LYS A 61 3.745 3.208 -14.296 1.00 0.00 N ATOM 0 H LYS A 61 4.575 1.976 -9.765 1.00 0.00 H new ATOM 0 HA LYS A 61 2.432 0.191 -10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.104 1.902 -11.990 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.853 0.847 -12.618 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.152 2.003 -11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.392 3.028 -10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.312 3.029 -13.355 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.321 4.338 -12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.995 5.052 -13.595 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.950 4.162 -12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.765 3.388 -14.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.590 2.205 -14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.266 3.439 -15.189 1.00 0.00 H new ATOM 942 N GLU A 62 5.330 -1.058 -10.942 1.00 0.00 N ATOM 943 CA GLU A 62 5.948 -2.338 -11.273 1.00 0.00 C ATOM 944 C GLU A 62 5.620 -3.365 -10.183 1.00 0.00 C ATOM 945 O GLU A 62 5.506 -4.555 -10.469 1.00 0.00 O ATOM 946 CB GLU A 62 7.454 -2.143 -11.550 1.00 0.00 C ATOM 947 CG GLU A 62 8.443 -2.224 -10.371 1.00 0.00 C ATOM 948 CD GLU A 62 9.026 -3.607 -10.107 1.00 0.00 C ATOM 949 OE1 GLU A 62 8.447 -4.626 -10.532 1.00 0.00 O ATOM 950 OE2 GLU A 62 10.033 -3.701 -9.365 1.00 0.00 O ATOM 0 H GLU A 62 5.982 -0.358 -10.587 1.00 0.00 H new ATOM 0 HA GLU A 62 5.536 -2.744 -12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.754 -2.891 -12.284 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.579 -1.167 -12.019 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.263 -1.531 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.936 -1.883 -9.468 1.00 0.00 H new ATOM 957 N LYS A 63 5.359 -2.916 -8.947 1.00 0.00 N ATOM 958 CA LYS A 63 5.332 -3.770 -7.752 1.00 0.00 C ATOM 959 C LYS A 63 3.957 -4.418 -7.568 1.00 0.00 C ATOM 960 O LYS A 63 3.487 -4.572 -6.440 1.00 0.00 O ATOM 961 CB LYS A 63 5.749 -2.953 -6.506 1.00 0.00 C ATOM 962 CG LYS A 63 7.119 -2.261 -6.572 1.00 0.00 C ATOM 963 CD LYS A 63 8.314 -3.228 -6.628 1.00 0.00 C ATOM 964 CE LYS A 63 8.847 -3.555 -5.227 1.00 0.00 C ATOM 965 NZ LYS A 63 9.594 -4.833 -5.155 1.00 0.00 N ATOM 0 H LYS A 63 5.158 -1.936 -8.747 1.00 0.00 H new ATOM 0 HA LYS A 63 6.051 -4.579 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.990 -2.192 -6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.743 -3.619 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.146 -1.617 -7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.229 -1.615 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.013 -4.149 -7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.111 -2.787 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.498 -2.745 -4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.010 -3.594 -4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.199 -4.834 -4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.922 -5.625 -5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.186 -4.937 -6.004 1.00 0.00 H new ATOM 979 N GLY A 64 3.332 -4.824 -8.672 1.00 0.00 N ATOM 980 CA GLY A 64 2.201 -5.748 -8.747 1.00 0.00 C ATOM 981 C GLY A 64 0.921 -5.305 -8.026 1.00 0.00 C ATOM 982 O GLY A 64 0.057 -6.140 -7.758 1.00 0.00 O ATOM 0 H GLY A 64 3.619 -4.497 -9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.963 -5.915 -9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.513 -6.707 -8.334 1.00 0.00 H new ATOM 986 N ALA A 65 0.796 -4.033 -7.642 1.00 0.00 N ATOM 987 CA ALA A 65 -0.159 -3.627 -6.623 1.00 0.00 C ATOM 988 C ALA A 65 -1.622 -3.728 -7.053 1.00 0.00 C ATOM 989 O ALA A 65 -1.906 -3.867 -8.238 1.00 0.00 O ATOM 990 CB ALA A 65 0.191 -2.219 -6.177 1.00 0.00 C ATOM 0 H ALA A 65 1.349 -3.267 -8.027 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.075 -4.329 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.514 -1.894 -5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.201 -2.207 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.137 -1.543 -7.030 1.00 0.00 H new ATOM 996 N GLU A 66 -2.552 -3.617 -6.098 1.00 0.00 N ATOM 997 CA GLU A 66 -3.993 -3.527 -6.357 1.00 0.00 C ATOM 998 C GLU A 66 -4.702 -2.571 -5.395 1.00 0.00 C ATOM 999 O GLU A 66 -5.796 -2.098 -5.711 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.650 -4.905 -6.254 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.451 -5.725 -7.524 1.00 0.00 C ATOM 1002 CD GLU A 66 -5.317 -6.985 -7.571 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -5.254 -7.812 -6.627 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -6.051 -7.146 -8.568 1.00 0.00 O ATOM 0 H GLU A 66 -2.320 -3.587 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.097 -3.136 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.232 -5.444 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.716 -4.786 -6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.679 -5.103 -8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.402 -6.010 -7.604 1.00 0.00 H new ATOM 1011 N LEU A 67 -4.111 -2.300 -4.228 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.728 -1.564 -3.140 1.00 0.00 C ATOM 1013 C LEU A 67 -3.651 -0.688 -2.496 1.00 0.00 C ATOM 1014 O LEU A 67 -2.453 -0.984 -2.579 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.329 -2.596 -2.165 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.401 -2.158 -1.148 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -5.909 -1.250 -0.022 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -7.636 -1.548 -1.811 1.00 0.00 C ATOM 0 H LEU A 67 -3.160 -2.600 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.532 -0.907 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.759 -3.398 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.503 -3.029 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.679 -3.100 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.742 -1.002 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.136 -1.765 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.497 -0.335 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.355 -1.259 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.344 -0.668 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.091 -2.281 -2.477 1.00 0.00 H new ATOM 1030 N VAL A 68 -4.059 0.401 -1.858 1.00 0.00 N ATOM 1031 CA VAL A 68 -3.187 1.406 -1.260 1.00 0.00 C ATOM 1032 C VAL A 68 -3.969 2.029 -0.106 1.00 0.00 C ATOM 1033 O VAL A 68 -5.160 2.299 -0.274 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.820 2.501 -2.291 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.525 3.230 -1.910 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -2.652 2.006 -3.732 1.00 0.00 C ATOM 0 H VAL A 68 -5.048 0.618 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.257 0.952 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.681 3.168 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.302 3.990 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.647 3.704 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.704 2.514 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.396 2.846 -4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.856 1.263 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.585 1.557 -4.074 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.327 2.279 1.036 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.925 2.930 2.193 1.00 0.00 C ATOM 1048 C ILE A 69 -2.974 4.049 2.609 1.00 0.00 C ATOM 1049 O ILE A 69 -1.844 3.804 3.028 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.265 1.931 3.323 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -5.093 0.749 2.762 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -5.014 2.702 4.426 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -5.742 -0.177 3.791 1.00 0.00 C ATOM 0 H ILE A 69 -2.350 2.026 1.181 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.895 3.359 1.944 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.360 1.498 3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.879 1.155 2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.443 0.149 2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.267 2.021 5.238 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.378 3.501 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.928 3.131 4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.293 -0.964 3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.969 -0.625 4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.427 0.396 4.416 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.408 5.289 2.408 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.591 6.497 2.475 1.00 0.00 C ATOM 1067 C VAL A 70 -3.329 7.550 3.304 1.00 0.00 C ATOM 1068 O VAL A 70 -4.551 7.473 3.467 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.291 6.985 1.041 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.372 6.015 0.295 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.562 7.146 0.203 1.00 0.00 C ATOM 0 H VAL A 70 -4.383 5.489 2.184 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.636 6.298 2.962 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.805 7.953 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.184 6.392 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.427 5.924 0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.849 5.037 0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.298 7.491 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.075 6.187 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.220 7.875 0.676 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.606 8.504 3.893 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.208 9.433 4.840 1.00 0.00 C ATOM 1083 C ARG A 71 -3.521 10.745 4.157 1.00 0.00 C ATOM 1084 O ARG A 71 -4.659 11.195 4.239 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.327 9.615 6.077 1.00 0.00 C ATOM 1086 CG ARG A 71 -3.054 10.550 7.047 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.570 10.469 8.492 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.300 11.473 9.289 1.00 0.00 N ATOM 1089 CZ ARG A 71 -4.593 11.409 9.641 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -5.278 10.285 9.490 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -5.226 12.462 10.141 1.00 0.00 N ATOM 0 H ARG A 71 -1.610 8.650 3.730 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.150 9.013 5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.132 8.653 6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.360 10.034 5.797 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.940 11.576 6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.119 10.321 7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.741 9.470 8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.497 10.653 8.543 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.774 12.290 9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.823 9.458 9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.261 10.246 9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.729 13.344 10.265 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.210 12.390 10.402 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.552 11.355 3.482 1.00 0.00 N ATOM 1106 CA GLY A 72 -2.691 12.650 2.823 1.00 0.00 C ATOM 1107 C GLY A 72 -2.609 12.558 1.304 1.00 0.00 C ATOM 1108 O GLY A 72 -3.452 13.137 0.614 1.00 0.00 O ATOM 0 H GLY A 72 -1.622 10.951 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.647 13.093 3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.911 13.320 3.183 1.00 0.00 H new ATOM 1112 N ILE A 73 -1.585 11.867 0.786 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.221 11.752 -0.635 1.00 0.00 C ATOM 1114 C ILE A 73 -1.346 13.101 -1.395 1.00 0.00 C ATOM 1115 O ILE A 73 -1.082 14.154 -0.812 1.00 0.00 O ATOM 1116 CB ILE A 73 -1.944 10.514 -1.259 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.372 10.071 -2.621 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.463 10.666 -1.448 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.467 8.561 -2.848 1.00 0.00 C ATOM 0 H ILE A 73 -0.948 11.340 1.384 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.156 11.543 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.751 9.758 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.907 10.587 -3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.328 10.378 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.868 9.754 -1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.934 10.844 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.665 11.508 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.048 8.313 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.909 8.040 -2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.512 8.253 -2.813 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.628 13.082 -2.702 1.00 0.00 N ATOM 1132 CA GLY A 74 -1.968 14.221 -3.546 1.00 0.00 C ATOM 1133 C GLY A 74 -2.220 13.735 -4.978 1.00 0.00 C ATOM 1134 O GLY A 74 -1.715 12.676 -5.359 1.00 0.00 O ATOM 0 H GLY A 74 -1.623 12.209 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.855 14.723 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.158 14.951 -3.535 1.00 0.00 H new ATOM 1138 N ARG A 75 -2.956 14.512 -5.779 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.535 14.194 -7.096 1.00 0.00 C ATOM 1140 C ARG A 75 -2.583 13.479 -8.050 1.00 0.00 C ATOM 1141 O ARG A 75 -3.001 12.583 -8.786 1.00 0.00 O ATOM 1142 CB ARG A 75 -4.041 15.521 -7.706 1.00 0.00 C ATOM 1143 CG ARG A 75 -4.410 15.495 -9.199 1.00 0.00 C ATOM 1144 CD ARG A 75 -5.504 14.492 -9.610 1.00 0.00 C ATOM 1145 NE ARG A 75 -6.832 15.127 -9.543 1.00 0.00 N ATOM 1146 CZ ARG A 75 -7.805 15.082 -10.461 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -7.691 14.313 -11.534 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -8.885 15.834 -10.353 1.00 0.00 N ATOM 0 H ARG A 75 -3.184 15.466 -5.500 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.346 13.481 -6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.918 15.842 -7.144 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.272 16.279 -7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.734 16.494 -9.490 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.509 15.273 -9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.316 14.133 -10.622 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.475 13.623 -8.953 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.033 15.663 -8.699 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.854 13.746 -11.668 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.440 14.288 -12.226 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.990 16.465 -9.558 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.614 15.784 -11.064 1.00 0.00 H new ATOM 1162 N ARG A 76 -1.306 13.862 -8.091 1.00 0.00 N ATOM 1163 CA ARG A 76 -0.344 13.252 -9.011 1.00 0.00 C ATOM 1164 C ARG A 76 -0.217 11.745 -8.795 1.00 0.00 C ATOM 1165 O ARG A 76 0.038 11.013 -9.755 1.00 0.00 O ATOM 1166 CB ARG A 76 1.006 13.969 -8.862 1.00 0.00 C ATOM 1167 CG ARG A 76 2.089 13.386 -9.784 1.00 0.00 C ATOM 1168 CD ARG A 76 3.400 14.156 -9.660 1.00 0.00 C ATOM 1169 NE ARG A 76 4.023 14.006 -8.333 1.00 0.00 N ATOM 1170 CZ ARG A 76 4.760 14.915 -7.682 1.00 0.00 C ATOM 1171 NH1 ARG A 76 4.906 16.146 -8.147 1.00 0.00 N ATOM 1172 NH2 ARG A 76 5.349 14.565 -6.550 1.00 0.00 N ATOM 0 H ARG A 76 -0.913 14.593 -7.497 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.704 13.373 -10.033 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.877 15.028 -9.084 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.339 13.898 -7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.256 12.338 -9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.744 13.416 -10.817 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.095 13.808 -10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.216 15.213 -9.853 1.00 0.00 H new ATOM 0 HE ARG A 76 3.877 13.114 -7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.452 16.419 -9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.472 16.821 -7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.237 13.618 -6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.915 15.242 -6.039 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.344 11.296 -7.547 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.178 9.903 -7.192 1.00 0.00 C ATOM 1188 C ALA A 77 -1.472 9.129 -7.374 1.00 0.00 C ATOM 1189 O ALA A 77 -1.388 7.967 -7.751 1.00 0.00 O ATOM 1190 CB ALA A 77 0.319 9.809 -5.758 1.00 0.00 C ATOM 0 H ALA A 77 -0.566 11.899 -6.755 1.00 0.00 H new ATOM 0 HA ALA A 77 0.559 9.453 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.446 8.761 -5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.275 10.325 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.407 10.273 -5.090 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.644 9.750 -7.185 1.00 0.00 N ATOM 1197 CA ILE A 78 -3.909 9.162 -7.606 1.00 0.00 C ATOM 1198 C ILE A 78 -3.750 8.765 -9.082 1.00 0.00 C ATOM 1199 O ILE A 78 -3.918 7.599 -9.422 1.00 0.00 O ATOM 1200 CB ILE A 78 -5.085 10.135 -7.345 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.514 10.116 -5.872 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.340 9.772 -8.146 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -4.494 10.655 -4.879 1.00 0.00 C ATOM 0 H ILE A 78 -2.735 10.664 -6.741 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.153 8.271 -7.027 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.707 11.113 -7.644 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.432 10.696 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.754 9.089 -5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.132 10.487 -7.924 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.113 9.801 -9.212 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.669 8.769 -7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.901 10.594 -3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.581 10.063 -4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.268 11.694 -5.117 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.298 9.697 -9.936 1.00 0.00 N ATOM 1216 CA ALA A 79 -3.165 9.445 -11.369 1.00 0.00 C ATOM 1217 C ALA A 79 -2.095 8.394 -11.748 1.00 0.00 C ATOM 1218 O ALA A 79 -1.840 8.188 -12.941 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.917 10.753 -12.110 1.00 0.00 C ATOM 0 H ALA A 79 -3.018 10.636 -9.651 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.114 9.008 -11.679 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.819 10.554 -13.177 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.754 11.430 -11.942 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.000 11.212 -11.741 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.381 7.780 -10.795 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.625 6.568 -11.044 1.00 0.00 C ATOM 1227 C ALA A 80 -1.484 5.326 -10.882 1.00 0.00 C ATOM 1228 O ALA A 80 -1.473 4.473 -11.761 1.00 0.00 O ATOM 1229 CB ALA A 80 0.501 6.488 -10.041 1.00 0.00 C ATOM 0 H ALA A 80 -1.318 8.117 -9.834 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.254 6.606 -12.068 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.080 5.581 -10.215 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.148 7.358 -10.151 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.089 6.467 -9.032 1.00 0.00 H new ATOM 1235 N PHE A 81 -2.176 5.195 -9.753 1.00 0.00 N ATOM 1236 CA PHE A 81 -3.055 4.106 -9.459 1.00 0.00 C ATOM 1237 C PHE A 81 -4.182 4.056 -10.480 1.00 0.00 C ATOM 1238 O PHE A 81 -4.484 2.970 -10.958 1.00 0.00 O ATOM 1239 CB PHE A 81 -3.528 4.302 -8.018 1.00 0.00 C ATOM 1240 CG PHE A 81 -2.407 4.340 -6.994 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -1.379 3.374 -7.020 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -2.401 5.337 -6.001 1.00 0.00 C ATOM 1243 CE1 PHE A 81 -0.376 3.377 -6.040 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -1.388 5.348 -5.027 1.00 0.00 C ATOM 1245 CZ PHE A 81 -0.386 4.364 -5.043 1.00 0.00 C ATOM 0 H PHE A 81 -2.126 5.880 -8.999 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.562 3.136 -9.533 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.093 5.232 -7.956 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.214 3.495 -7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.364 2.627 -7.800 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.173 6.092 -5.987 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.399 2.625 -6.053 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.380 6.114 -4.266 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.381 4.367 -4.283 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.692 5.199 -10.933 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.663 5.287 -12.016 1.00 0.00 C ATOM 1257 C GLU A 82 -5.108 4.772 -13.352 1.00 0.00 C ATOM 1258 O GLU A 82 -5.886 4.467 -14.258 1.00 0.00 O ATOM 1259 CB GLU A 82 -6.085 6.746 -12.185 1.00 0.00 C ATOM 1260 CG GLU A 82 -6.888 7.277 -10.989 1.00 0.00 C ATOM 1261 CD GLU A 82 -7.307 8.722 -11.225 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -6.487 9.525 -11.724 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -8.435 9.107 -10.846 1.00 0.00 O ATOM 0 H GLU A 82 -4.435 6.108 -10.548 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.511 4.656 -11.748 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.197 7.362 -12.322 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.684 6.843 -13.091 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.771 6.657 -10.833 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.287 7.210 -10.082 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.783 4.610 -13.509 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.261 3.995 -14.721 1.00 0.00 C ATOM 1272 C ALA A 83 -3.528 2.485 -14.729 1.00 0.00 C ATOM 1273 O ALA A 83 -3.372 1.851 -15.773 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.760 4.256 -14.841 1.00 0.00 C ATOM 0 H ALA A 83 -3.078 4.891 -12.827 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.773 4.441 -15.574 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.381 3.791 -15.751 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.579 5.330 -14.880 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.247 3.833 -13.977 1.00 0.00 H new ATOM 1280 N MET A 84 -3.866 1.911 -13.575 1.00 0.00 N ATOM 1281 CA MET A 84 -4.081 0.485 -13.342 1.00 0.00 C ATOM 1282 C MET A 84 -5.387 0.203 -12.582 1.00 0.00 C ATOM 1283 O MET A 84 -5.655 -0.939 -12.205 1.00 0.00 O ATOM 1284 CB MET A 84 -2.844 -0.119 -12.649 1.00 0.00 C ATOM 1285 CG MET A 84 -2.060 0.807 -11.699 1.00 0.00 C ATOM 1286 SD MET A 84 -0.648 0.039 -10.852 1.00 0.00 S ATOM 1287 CE MET A 84 0.153 -0.836 -12.221 1.00 0.00 C ATOM 0 H MET A 84 -4.005 2.462 -12.728 1.00 0.00 H new ATOM 0 HA MET A 84 -4.204 -0.008 -14.306 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.165 -0.994 -12.083 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.160 -0.472 -13.421 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.698 1.663 -12.269 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.747 1.193 -10.946 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.102 -1.252 -11.882 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.494 -1.643 -12.566 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.334 -0.141 -13.041 1.00 0.00 H new ATOM 1297 N GLY A 85 -6.205 1.229 -12.336 1.00 0.00 N ATOM 1298 CA GLY A 85 -7.370 1.133 -11.475 1.00 0.00 C ATOM 1299 C GLY A 85 -7.036 0.554 -10.109 1.00 0.00 C ATOM 1300 O GLY A 85 -7.813 -0.224 -9.559 1.00 0.00 O ATOM 0 H GLY A 85 -6.069 2.157 -12.737 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.808 2.123 -11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.124 0.510 -11.956 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.915 0.964 -9.522 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.477 0.494 -8.218 1.00 0.00 C ATOM 1306 C VAL A 86 -6.305 1.278 -7.197 1.00 0.00 C ATOM 1307 O VAL A 86 -6.357 2.509 -7.223 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.933 0.660 -8.137 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.371 0.733 -6.711 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.312 -0.578 -8.782 1.00 0.00 C ATOM 0 H VAL A 86 -5.280 1.640 -9.946 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.646 -0.564 -8.018 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.694 1.602 -8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.288 0.849 -6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.807 1.586 -6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.618 -0.184 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.225 -0.501 -8.746 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.631 -1.469 -8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.636 -0.649 -9.820 1.00 0.00 H new ATOM 1320 N LYS A 87 -7.084 0.564 -6.378 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.943 1.218 -5.392 1.00 0.00 C ATOM 1322 C LYS A 87 -7.070 1.904 -4.347 1.00 0.00 C ATOM 1323 O LYS A 87 -6.114 1.318 -3.849 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.943 0.231 -4.762 1.00 0.00 C ATOM 1325 CG LYS A 87 -9.775 0.956 -3.683 1.00 0.00 C ATOM 1326 CD LYS A 87 -11.189 0.427 -3.388 1.00 0.00 C ATOM 1327 CE LYS A 87 -11.381 -0.382 -2.092 1.00 0.00 C ATOM 1328 NZ LYS A 87 -12.809 -0.380 -1.677 1.00 0.00 N ATOM 0 H LYS A 87 -7.136 -0.455 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.549 1.975 -5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.601 -0.176 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.410 -0.611 -4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.208 0.933 -2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.864 2.002 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.869 1.278 -3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.497 -0.199 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.043 -1.407 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.766 0.042 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.920 -0.945 -0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.116 0.597 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.391 -0.791 -2.435 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.433 3.125 -3.974 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.647 3.980 -3.108 1.00 0.00 C ATOM 1344 C VAL A 88 -7.589 4.505 -2.014 1.00 0.00 C ATOM 1345 O VAL A 88 -8.532 5.245 -2.296 1.00 0.00 O ATOM 1346 CB VAL A 88 -5.893 5.001 -4.000 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -6.774 5.734 -5.034 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -5.096 6.013 -3.169 1.00 0.00 C ATOM 0 H VAL A 88 -8.307 3.555 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.845 3.489 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.201 4.387 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.160 6.426 -5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.228 5.006 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.557 6.288 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.584 6.708 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.775 6.566 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.361 5.486 -2.561 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.386 4.040 -0.781 1.00 0.00 N ATOM 1359 CA ILE A 89 -8.133 4.363 0.438 1.00 0.00 C ATOM 1360 C ILE A 89 -7.379 5.505 1.106 1.00 0.00 C ATOM 1361 O ILE A 89 -6.207 5.336 1.460 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.208 3.083 1.311 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.255 2.145 0.674 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.494 3.270 2.822 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.046 0.677 1.009 1.00 0.00 C ATOM 0 H ILE A 89 -6.636 3.375 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.160 4.680 0.256 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.201 2.665 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.249 2.446 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.229 2.269 -0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.519 2.296 3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.708 3.880 3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.456 3.766 2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.820 0.080 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.066 0.358 0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.102 0.539 2.089 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.007 6.676 1.225 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.350 7.874 1.715 1.00 0.00 C ATOM 1379 C LYS A 90 -7.980 8.360 3.005 1.00 0.00 C ATOM 1380 O LYS A 90 -9.202 8.494 3.099 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.469 8.933 0.624 1.00 0.00 C ATOM 1382 CG LYS A 90 -6.496 8.655 -0.533 1.00 0.00 C ATOM 1383 CD LYS A 90 -6.917 9.260 -1.866 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.006 8.438 -2.537 1.00 0.00 C ATOM 1385 NZ LYS A 90 -8.216 8.776 -3.961 1.00 0.00 N ATOM 0 H LYS A 90 -8.988 6.814 0.982 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.304 7.664 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.491 8.955 0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.264 9.917 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.513 9.042 -0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.392 7.577 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.274 10.277 -1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.052 9.325 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.752 7.381 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.942 8.582 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.731 8.003 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.770 9.653 -4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.295 8.910 -4.426 1.00 0.00 H new ATOM 1399 N GLY A 91 -7.115 8.708 3.949 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.451 9.341 5.218 1.00 0.00 C ATOM 1401 C GLY A 91 -7.066 8.532 6.453 1.00 0.00 C ATOM 1402 O GLY A 91 -7.356 8.995 7.556 1.00 0.00 O ATOM 0 H GLY A 91 -6.113 8.549 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.957 10.311 5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.525 9.528 5.243 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.429 7.366 6.303 1.00 0.00 N ATOM 1407 CA ALA A 92 -6.246 6.425 7.408 1.00 0.00 C ATOM 1408 C ALA A 92 -5.115 6.881 8.342 1.00 0.00 C ATOM 1409 O ALA A 92 -4.532 7.951 8.151 1.00 0.00 O ATOM 1410 CB ALA A 92 -6.017 5.015 6.856 1.00 0.00 C ATOM 0 H ALA A 92 -6.029 7.052 5.419 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.152 6.402 8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.881 4.318 7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.880 4.712 6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.126 5.010 6.228 1.00 0.00 H new ATOM 1416 N SER A 93 -4.799 6.105 9.376 1.00 0.00 N ATOM 1417 CA SER A 93 -3.870 6.487 10.432 1.00 0.00 C ATOM 1418 C SER A 93 -3.476 5.232 11.203 1.00 0.00 C ATOM 1419 O SER A 93 -4.272 4.296 11.268 1.00 0.00 O ATOM 1420 CB SER A 93 -4.523 7.511 11.374 1.00 0.00 C ATOM 1421 OG SER A 93 -5.901 7.243 11.580 1.00 0.00 O ATOM 0 H SER A 93 -5.192 5.172 9.504 1.00 0.00 H new ATOM 0 HA SER A 93 -2.984 6.949 9.998 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.005 7.503 12.333 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.407 8.512 10.958 1.00 0.00 H new ATOM 0 HG SER A 93 -6.278 7.915 12.185 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.294 5.224 11.824 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.897 4.143 12.730 1.00 0.00 C ATOM 1429 C GLY A 94 -0.533 3.568 12.373 1.00 0.00 C ATOM 1430 O GLY A 94 0.365 4.308 11.958 1.00 0.00 O ATOM 0 H GLY A 94 -1.593 5.957 11.715 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.875 4.518 13.753 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.644 3.350 12.697 1.00 0.00 H new ATOM 1434 N THR A 95 -0.367 2.261 12.557 1.00 0.00 N ATOM 1435 CA THR A 95 0.775 1.483 12.085 1.00 0.00 C ATOM 1436 C THR A 95 0.356 0.631 10.887 1.00 0.00 C ATOM 1437 O THR A 95 -0.829 0.571 10.553 1.00 0.00 O ATOM 1438 CB THR A 95 1.319 0.630 13.244 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.263 -0.040 13.913 1.00 0.00 O ATOM 1440 CG2 THR A 95 2.096 1.501 14.222 1.00 0.00 C ATOM 0 H THR A 95 -1.050 1.693 13.058 1.00 0.00 H new ATOM 0 HA THR A 95 1.576 2.143 11.751 1.00 0.00 H new ATOM 0 HB THR A 95 1.993 -0.120 12.830 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.629 -0.578 14.645 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.475 0.884 15.037 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.932 1.972 13.705 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.438 2.271 14.625 1.00 0.00 H new ATOM 1448 N VAL A 96 1.314 -0.037 10.239 1.00 0.00 N ATOM 1449 CA VAL A 96 1.053 -0.887 9.088 1.00 0.00 C ATOM 1450 C VAL A 96 0.025 -1.938 9.465 1.00 0.00 C ATOM 1451 O VAL A 96 -1.019 -2.019 8.821 1.00 0.00 O ATOM 1452 CB VAL A 96 2.368 -1.503 8.558 1.00 0.00 C ATOM 1453 CG1 VAL A 96 2.210 -2.825 7.790 1.00 0.00 C ATOM 1454 CG2 VAL A 96 3.029 -0.472 7.653 1.00 0.00 C ATOM 0 H VAL A 96 2.298 0.001 10.505 1.00 0.00 H new ATOM 0 HA VAL A 96 0.640 -0.294 8.272 1.00 0.00 H new ATOM 0 HB VAL A 96 2.971 -1.753 9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.189 -3.174 7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.759 -3.573 8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.570 -2.667 6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.962 -0.877 7.261 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.361 -0.233 6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.237 0.433 8.224 1.00 0.00 H new ATOM 1464 N GLU A 97 0.321 -2.740 10.491 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.536 -3.868 10.803 1.00 0.00 C ATOM 1466 C GLU A 97 -1.950 -3.392 11.168 1.00 0.00 C ATOM 1467 O GLU A 97 -2.929 -4.053 10.836 1.00 0.00 O ATOM 1468 CB GLU A 97 0.056 -4.740 11.910 1.00 0.00 C ATOM 1469 CG GLU A 97 0.381 -4.002 13.216 1.00 0.00 C ATOM 1470 CD GLU A 97 0.325 -4.959 14.401 1.00 0.00 C ATOM 1471 OE1 GLU A 97 -0.799 -5.229 14.881 1.00 0.00 O ATOM 1472 OE2 GLU A 97 1.369 -5.484 14.844 1.00 0.00 O ATOM 0 H GLU A 97 1.130 -2.628 11.102 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.605 -4.487 9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.645 -5.545 12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.969 -5.205 11.536 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.373 -3.554 13.150 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.327 -3.187 13.366 1.00 0.00 H new ATOM 1479 N GLU A 98 -2.071 -2.242 11.833 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.329 -1.686 12.298 1.00 0.00 C ATOM 1481 C GLU A 98 -4.139 -1.266 11.082 1.00 0.00 C ATOM 1482 O GLU A 98 -5.282 -1.688 10.952 1.00 0.00 O ATOM 1483 CB GLU A 98 -3.092 -0.502 13.248 1.00 0.00 C ATOM 1484 CG GLU A 98 -4.411 -0.055 13.900 1.00 0.00 C ATOM 1485 CD GLU A 98 -4.309 1.313 14.572 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -3.289 1.608 15.232 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -5.258 2.115 14.421 1.00 0.00 O ATOM 0 H GLU A 98 -1.267 -1.659 12.067 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.880 -2.436 12.865 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.377 -0.786 14.020 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.653 0.330 12.698 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.193 -0.024 13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.714 -0.796 14.640 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.561 -0.482 10.173 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.222 0.000 8.971 1.00 0.00 C ATOM 1496 C VAL A 99 -4.615 -1.158 8.032 1.00 0.00 C ATOM 1497 O VAL A 99 -5.604 -1.054 7.305 1.00 0.00 O ATOM 1498 CB VAL A 99 -3.254 1.010 8.322 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.692 1.460 6.948 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -3.182 2.311 9.127 1.00 0.00 C ATOM 0 H VAL A 99 -2.597 -0.159 10.258 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.168 0.489 9.203 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.306 0.474 8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.967 2.169 6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.757 0.597 6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.669 1.939 7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.491 3.001 8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.172 2.764 9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.831 2.095 10.136 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.876 -2.271 8.032 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.236 -3.468 7.274 1.00 0.00 C ATOM 1512 C VAL A 100 -5.474 -4.032 7.951 1.00 0.00 C ATOM 1513 O VAL A 100 -6.487 -4.248 7.288 1.00 0.00 O ATOM 1514 CB VAL A 100 -3.066 -4.482 7.231 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.497 -5.850 6.686 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -1.921 -3.997 6.335 1.00 0.00 C ATOM 0 H VAL A 100 -3.009 -2.365 8.560 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.445 -3.237 6.229 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.738 -4.572 8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.641 -6.524 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.279 -6.265 7.322 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.879 -5.734 5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.121 -4.738 6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.289 -3.858 5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.537 -3.050 6.715 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.412 -4.217 9.273 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.542 -4.730 10.028 1.00 0.00 C ATOM 1528 C ASN A 101 -7.786 -3.858 9.818 1.00 0.00 C ATOM 1529 O ASN A 101 -8.862 -4.410 9.624 1.00 0.00 O ATOM 1530 CB ASN A 101 -6.189 -4.814 11.516 1.00 0.00 C ATOM 1531 CG ASN A 101 -5.536 -6.130 11.933 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -6.197 -7.156 12.081 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -4.234 -6.134 12.137 1.00 0.00 N ATOM 0 H ASN A 101 -4.586 -4.016 9.837 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.770 -5.732 9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.516 -3.993 11.765 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -7.097 -4.671 12.102 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.765 -6.994 12.421 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.695 -5.277 12.011 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.671 -2.520 9.832 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.823 -1.622 9.726 1.00 0.00 C ATOM 1542 C GLN A 102 -9.594 -1.916 8.440 1.00 0.00 C ATOM 1543 O GLN A 102 -10.818 -2.069 8.451 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.442 -0.123 9.737 1.00 0.00 C ATOM 1545 CG GLN A 102 -7.897 0.410 11.069 1.00 0.00 C ATOM 1546 CD GLN A 102 -7.651 1.920 11.053 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -7.361 2.519 10.021 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -7.782 2.556 12.207 1.00 0.00 N ATOM 0 H GLN A 102 -6.777 -2.035 9.917 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.435 -1.811 10.608 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.694 0.050 8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.322 0.460 9.465 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -8.602 0.171 11.865 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.964 -0.102 11.304 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.024 2.037 13.051 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -7.641 3.565 12.252 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.885 -1.952 7.312 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.509 -2.144 6.017 1.00 0.00 C ATOM 1559 C TYR A 103 -9.963 -3.570 5.810 1.00 0.00 C ATOM 1560 O TYR A 103 -11.085 -3.762 5.342 1.00 0.00 O ATOM 1561 CB TYR A 103 -8.560 -1.715 4.913 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.958 -2.218 3.543 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -10.137 -1.739 2.942 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -8.220 -3.251 2.937 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -10.576 -2.280 1.723 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -8.666 -3.812 1.726 1.00 0.00 C ATOM 1567 CZ TYR A 103 -9.841 -3.318 1.110 1.00 0.00 C ATOM 1568 OH TYR A 103 -10.283 -3.826 -0.073 1.00 0.00 O ATOM 0 H TYR A 103 -7.871 -1.849 7.277 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.401 -1.519 5.983 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -8.510 -0.626 4.891 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.558 -2.075 5.146 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.705 -0.954 3.419 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.314 -3.612 3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.474 -1.903 1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.113 -4.618 1.267 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.674 -4.533 -0.373 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.140 -4.555 6.175 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.543 -5.945 6.050 1.00 0.00 C ATOM 1580 C LEU A 104 -10.817 -6.183 6.864 1.00 0.00 C ATOM 1581 O LEU A 104 -11.662 -6.967 6.427 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.415 -6.903 6.473 1.00 0.00 C ATOM 1583 CG LEU A 104 -7.199 -6.942 5.522 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.177 -7.968 6.019 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -7.575 -7.313 4.084 1.00 0.00 C ATOM 0 H LEU A 104 -8.204 -4.413 6.554 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.752 -6.155 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.070 -6.618 7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.825 -7.909 6.555 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.784 -5.934 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.323 -7.988 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.841 -7.692 7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.638 -8.955 6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.678 -7.324 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.036 -8.301 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.279 -6.579 3.691 1.00 0.00 H new ATOM 1597 N SER A 105 -11.010 -5.467 7.979 1.00 0.00 N ATOM 1598 CA SER A 105 -12.209 -5.546 8.810 1.00 0.00 C ATOM 1599 C SER A 105 -13.400 -4.771 8.231 1.00 0.00 C ATOM 1600 O SER A 105 -14.529 -4.985 8.676 1.00 0.00 O ATOM 1601 CB SER A 105 -11.887 -5.074 10.229 1.00 0.00 C ATOM 1602 OG SER A 105 -11.095 -6.051 10.873 1.00 0.00 O ATOM 0 H SER A 105 -10.320 -4.804 8.332 1.00 0.00 H new ATOM 0 HA SER A 105 -12.516 -6.592 8.832 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.357 -4.122 10.197 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.808 -4.908 10.788 1.00 0.00 H new ATOM 0 HG SER A 105 -10.147 -5.861 10.713 1.00 0.00 H new ATOM 1608 N GLY A 106 -13.197 -3.920 7.225 1.00 0.00 N ATOM 1609 CA GLY A 106 -14.247 -3.130 6.594 1.00 0.00 C ATOM 1610 C GLY A 106 -14.453 -1.760 7.239 1.00 0.00 C ATOM 1611 O GLY A 106 -15.377 -1.049 6.844 1.00 0.00 O ATOM 0 H GLY A 106 -12.275 -3.759 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.004 -2.993 5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.183 -3.686 6.635 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.611 -1.368 8.202 1.00 0.00 N ATOM 1616 CA GLN A 107 -13.735 -0.092 8.901 1.00 0.00 C ATOM 1617 C GLN A 107 -13.378 1.080 7.963 1.00 0.00 C ATOM 1618 O GLN A 107 -13.993 2.140 8.044 1.00 0.00 O ATOM 1619 CB GLN A 107 -12.823 -0.054 10.147 1.00 0.00 C ATOM 1620 CG GLN A 107 -12.880 -1.237 11.138 1.00 0.00 C ATOM 1621 CD GLN A 107 -14.128 -1.302 12.026 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -14.765 -0.305 12.362 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -14.525 -2.489 12.454 1.00 0.00 N ATOM 0 H GLN A 107 -12.822 -1.933 8.517 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.772 0.011 9.221 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.793 0.040 9.802 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.057 0.855 10.702 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.812 -2.165 10.571 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.001 -1.191 11.781 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.009 -3.327 12.185 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.347 -2.566 13.053 1.00 0.00 H new ATOM 1632 N LEU A 108 -12.382 0.914 7.079 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.850 1.968 6.196 1.00 0.00 C ATOM 1634 C LEU A 108 -12.694 2.151 4.929 1.00 0.00 C ATOM 1635 O LEU A 108 -13.487 1.269 4.596 1.00 0.00 O ATOM 1636 CB LEU A 108 -10.394 1.615 5.816 1.00 0.00 C ATOM 1637 CG LEU A 108 -9.362 2.307 6.715 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -7.967 1.726 6.503 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -9.306 3.819 6.526 1.00 0.00 C ATOM 0 H LEU A 108 -11.910 0.018 6.954 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.885 2.913 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.258 0.535 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.215 1.899 4.779 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.696 2.115 7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.257 2.237 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.976 0.662 6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.670 1.864 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.555 4.242 7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.043 4.047 5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.280 4.251 6.756 1.00 0.00 H new ATOM 1651 N LYS A 109 -12.503 3.255 4.184 1.00 0.00 N ATOM 1652 CA LYS A 109 -13.155 3.543 2.906 1.00 0.00 C ATOM 1653 C LYS A 109 -12.338 4.518 2.055 1.00 0.00 C ATOM 1654 O LYS A 109 -11.264 4.956 2.449 1.00 0.00 O ATOM 1655 CB LYS A 109 -14.589 4.063 3.147 1.00 0.00 C ATOM 1656 CG LYS A 109 -15.573 3.516 2.106 1.00 0.00 C ATOM 1657 CD LYS A 109 -15.800 2.013 2.309 1.00 0.00 C ATOM 1658 CE LYS A 109 -16.241 1.333 1.024 1.00 0.00 C ATOM 1659 NZ LYS A 109 -17.683 1.521 0.776 1.00 0.00 N ATOM 0 H LYS A 109 -11.864 3.996 4.472 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.216 2.614 2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.918 3.774 4.145 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.592 5.152 3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.523 4.046 2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.187 3.698 1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.880 1.551 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.555 1.860 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.672 1.735 0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.017 0.268 1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.948 1.044 -0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.227 1.116 1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -17.892 2.537 0.698 1.00 0.00 H new ATOM 1673 N ASP A 110 -12.827 4.822 0.858 1.00 0.00 N ATOM 1674 CA ASP A 110 -12.082 5.309 -0.304 1.00 0.00 C ATOM 1675 C ASP A 110 -12.867 6.458 -0.945 1.00 0.00 C ATOM 1676 O ASP A 110 -12.894 6.622 -2.163 1.00 0.00 O ATOM 1677 CB ASP A 110 -11.785 4.152 -1.281 1.00 0.00 C ATOM 1678 CG ASP A 110 -12.983 3.272 -1.631 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -13.182 2.252 -0.927 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -13.668 3.542 -2.639 1.00 0.00 O ATOM 0 H ASP A 110 -13.823 4.729 0.657 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.110 5.699 -0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -11.381 4.571 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.007 3.523 -0.848 1.00 0.00 H new ATOM 1685 N SER A 111 -13.500 7.279 -0.105 1.00 0.00 N ATOM 1686 CA SER A 111 -14.497 8.265 -0.499 1.00 0.00 C ATOM 1687 C SER A 111 -13.944 9.570 -1.074 1.00 0.00 C ATOM 1688 O SER A 111 -14.708 10.397 -1.563 1.00 0.00 O ATOM 1689 CB SER A 111 -15.315 8.628 0.749 1.00 0.00 C ATOM 1690 OG SER A 111 -15.370 7.584 1.711 1.00 0.00 O ATOM 0 H SER A 111 -13.324 7.272 0.900 1.00 0.00 H new ATOM 0 HA SER A 111 -15.076 7.800 -1.297 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.884 9.516 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 111 -16.330 8.887 0.447 1.00 0.00 H new ATOM 0 HG SER A 111 -15.902 7.876 2.481 1.00 0.00 H new ATOM 1696 N ASP A 112 -12.634 9.748 -1.053 1.00 0.00 N ATOM 1697 CA ASP A 112 -11.960 10.981 -1.457 1.00 0.00 C ATOM 1698 C ASP A 112 -11.311 10.710 -2.804 1.00 0.00 C ATOM 1699 O ASP A 112 -10.145 10.339 -2.839 1.00 0.00 O ATOM 1700 CB ASP A 112 -10.918 11.441 -0.409 1.00 0.00 C ATOM 1701 CG ASP A 112 -11.465 12.389 0.654 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -12.293 13.273 0.331 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -10.998 12.309 1.810 1.00 0.00 O ATOM 0 H ASP A 112 -11.987 9.021 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.680 11.796 -1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.505 10.561 0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -10.094 11.932 -0.926 1.00 0.00 H new ATOM 1708 N TYR A 113 -12.054 10.827 -3.902 1.00 0.00 N ATOM 1709 CA TYR A 113 -11.556 10.619 -5.269 1.00 0.00 C ATOM 1710 C TYR A 113 -11.641 11.924 -6.066 1.00 0.00 C ATOM 1711 O TYR A 113 -12.249 12.879 -5.589 1.00 0.00 O ATOM 1712 CB TYR A 113 -12.324 9.475 -5.957 1.00 0.00 C ATOM 1713 CG TYR A 113 -11.484 8.299 -6.436 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -10.247 8.485 -7.095 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -11.993 6.996 -6.277 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -9.541 7.371 -7.592 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -11.294 5.885 -6.775 1.00 0.00 C ATOM 1718 CZ TYR A 113 -10.065 6.067 -7.442 1.00 0.00 C ATOM 1719 OH TYR A 113 -9.383 5.002 -7.945 1.00 0.00 O ATOM 0 H TYR A 113 -13.043 11.075 -3.870 1.00 0.00 H new ATOM 0 HA TYR A 113 -10.507 10.324 -5.226 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -13.076 9.100 -5.262 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -12.858 9.887 -6.813 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -9.844 9.479 -7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -12.933 6.849 -5.766 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -8.594 7.515 -8.091 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -11.697 4.891 -6.647 1.00 0.00 H new ATOM 0 HH TYR A 113 -9.878 4.178 -7.756 1.00 0.00 H new ATOM 1729 N GLU A 114 -11.052 11.989 -7.265 1.00 0.00 N ATOM 1730 CA GLU A 114 -10.974 13.235 -8.017 1.00 0.00 C ATOM 1731 C GLU A 114 -10.791 12.962 -9.518 1.00 0.00 C ATOM 1732 O GLU A 114 -9.778 12.394 -9.935 1.00 0.00 O ATOM 1733 CB GLU A 114 -9.915 14.170 -7.397 1.00 0.00 C ATOM 1734 CG GLU A 114 -8.540 13.537 -7.128 1.00 0.00 C ATOM 1735 CD GLU A 114 -7.617 14.498 -6.380 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -7.370 15.621 -6.876 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -7.097 14.105 -5.307 1.00 0.00 O ATOM 0 H GLU A 114 -10.623 11.190 -7.731 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.920 13.772 -7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.778 15.023 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.306 14.558 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.666 12.625 -6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.079 13.250 -8.073 1.00 0.00 H new ATOM 1744 N VAL A 115 -11.802 13.314 -10.322 1.00 0.00 N ATOM 1745 CA VAL A 115 -11.991 12.914 -11.726 1.00 0.00 C ATOM 1746 C VAL A 115 -11.072 13.646 -12.729 1.00 0.00 C ATOM 1747 O VAL A 115 -10.325 14.548 -12.342 1.00 0.00 O ATOM 1748 CB VAL A 115 -13.485 13.060 -12.089 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -14.345 12.147 -11.204 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -13.996 14.501 -11.976 1.00 0.00 C ATOM 0 H VAL A 115 -12.554 13.920 -9.994 1.00 0.00 H new ATOM 0 HA VAL A 115 -11.688 11.871 -11.812 1.00 0.00 H new ATOM 0 HB VAL A 115 -13.572 12.764 -13.134 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.395 12.263 -11.474 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -14.045 11.110 -11.351 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.207 12.419 -10.158 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -15.052 14.535 -12.244 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.871 14.852 -10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -13.429 15.142 -12.651 1.00 0.00 H new ATOM 1760 N HIS A 116 -11.135 13.306 -14.027 1.00 0.00 N ATOM 1761 CA HIS A 116 -10.315 13.865 -15.115 1.00 0.00 C ATOM 1762 C HIS A 116 -8.811 13.609 -14.890 1.00 0.00 C ATOM 1763 O HIS A 116 -8.038 14.525 -14.568 1.00 0.00 O ATOM 1764 CB HIS A 116 -10.638 15.354 -15.371 1.00 0.00 C ATOM 1765 CG HIS A 116 -12.063 15.684 -15.758 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -12.670 15.388 -16.966 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -12.936 16.450 -15.030 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -13.886 15.963 -16.965 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -14.078 16.599 -15.795 1.00 0.00 N ATOM 0 H HIS A 116 -11.790 12.600 -14.362 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.581 13.334 -16.029 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -10.392 15.915 -14.470 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -9.979 15.714 -16.161 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -12.764 16.860 -14.046 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -14.597 15.921 -17.777 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -14.921 17.104 -15.520 1.00 0.00 H new ATOM 1778 N ASP A 117 -8.391 12.358 -15.065 1.00 0.00 N ATOM 1779 CA ASP A 117 -7.042 11.810 -14.885 1.00 0.00 C ATOM 1780 C ASP A 117 -6.084 12.212 -16.022 1.00 0.00 C ATOM 1781 O ASP A 117 -5.845 11.472 -16.977 1.00 0.00 O ATOM 1782 CB ASP A 117 -7.110 10.274 -14.726 1.00 0.00 C ATOM 1783 CG ASP A 117 -7.562 9.512 -15.978 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -8.490 9.990 -16.674 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -6.960 8.462 -16.305 1.00 0.00 O ATOM 0 H ASP A 117 -9.044 11.633 -15.364 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.631 12.242 -13.973 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.125 9.910 -14.433 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.792 10.038 -13.909 1.00 0.00 H new ATOM 1790 N HIS A 118 -5.480 13.399 -15.923 1.00 0.00 N ATOM 1791 CA HIS A 118 -4.708 14.007 -17.018 1.00 0.00 C ATOM 1792 C HIS A 118 -3.528 13.181 -17.576 1.00 0.00 C ATOM 1793 O HIS A 118 -2.997 13.566 -18.618 1.00 0.00 O ATOM 1794 CB HIS A 118 -4.228 15.408 -16.601 1.00 0.00 C ATOM 1795 CG HIS A 118 -3.118 15.420 -15.569 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -3.267 15.628 -14.209 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -1.785 15.238 -15.825 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -2.043 15.570 -13.653 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -1.129 15.318 -14.609 1.00 0.00 N ATOM 0 H HIS A 118 -5.511 13.971 -15.079 1.00 0.00 H new ATOM 0 HA HIS A 118 -5.410 14.055 -17.851 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -3.884 15.938 -17.489 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -5.078 15.965 -16.206 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -1.333 15.065 -16.790 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -1.827 15.705 -12.603 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -0.126 15.205 -14.462 1.00 0.00 H new ATOM 1808 N HIS A 119 -3.029 12.164 -16.857 1.00 0.00 N ATOM 1809 CA HIS A 119 -2.139 11.073 -17.295 1.00 0.00 C ATOM 1810 C HIS A 119 -1.300 11.386 -18.541 1.00 0.00 C ATOM 1811 O HIS A 119 -1.772 11.149 -19.656 1.00 0.00 O ATOM 1812 CB HIS A 119 -2.929 9.764 -17.464 1.00 0.00 C ATOM 1813 CG HIS A 119 -2.036 8.554 -17.649 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -1.486 8.118 -18.845 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -1.720 7.638 -16.681 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -0.863 6.949 -18.605 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -0.979 6.645 -17.297 1.00 0.00 N ATOM 0 H HIS A 119 -3.257 12.074 -15.867 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.409 10.954 -16.495 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.561 9.612 -16.589 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.592 9.855 -18.324 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -1.996 7.682 -15.638 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.351 6.350 -19.344 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -0.587 5.822 -16.839 1.00 0.00 H new ATOM 1826 N HIS A 120 -0.059 11.853 -18.392 1.00 0.00 N ATOM 1827 CA HIS A 120 0.888 11.971 -19.512 1.00 0.00 C ATOM 1828 C HIS A 120 2.207 11.325 -19.083 1.00 0.00 C ATOM 1829 O HIS A 120 2.467 11.239 -17.882 1.00 0.00 O ATOM 1830 CB HIS A 120 1.027 13.454 -19.921 1.00 0.00 C ATOM 1831 CG HIS A 120 1.169 13.714 -21.407 1.00 0.00 C ATOM 1832 ND1 HIS A 120 2.045 14.609 -22.001 1.00 0.00 N ATOM 1833 CD2 HIS A 120 0.321 13.255 -22.382 1.00 0.00 C ATOM 1834 CE1 HIS A 120 1.730 14.682 -23.307 1.00 0.00 C ATOM 1835 NE2 HIS A 120 0.693 13.868 -23.566 1.00 0.00 N ATOM 0 H HIS A 120 0.321 12.160 -17.497 1.00 0.00 H new ATOM 0 HA HIS A 120 0.535 11.447 -20.401 1.00 0.00 H new ATOM 0 HB2 HIS A 120 0.154 13.996 -19.558 1.00 0.00 H new ATOM 0 HB3 HIS A 120 1.896 13.872 -19.413 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -0.485 12.548 -22.251 1.00 0.00 H new ATOM 0 HE1 HIS A 120 2.234 15.300 -24.035 1.00 0.00 H new ATOM 0 HE2 HIS A 120 0.256 13.726 -24.477 1.00 0.00 H new ATOM 1844 N HIS A 121 3.045 10.901 -20.038 1.00 0.00 N ATOM 1845 CA HIS A 121 4.214 10.043 -19.790 1.00 0.00 C ATOM 1846 C HIS A 121 3.840 8.825 -18.925 1.00 0.00 C ATOM 1847 O HIS A 121 2.697 8.378 -19.018 1.00 0.00 O ATOM 1848 CB HIS A 121 5.401 10.899 -19.301 1.00 0.00 C ATOM 1849 CG HIS A 121 5.859 11.832 -20.390 1.00 0.00 C ATOM 1850 ND1 HIS A 121 5.663 13.200 -20.449 1.00 0.00 N ATOM 1851 CD2 HIS A 121 6.403 11.425 -21.575 1.00 0.00 C ATOM 1852 CE1 HIS A 121 6.067 13.607 -21.668 1.00 0.00 C ATOM 1853 NE2 HIS A 121 6.516 12.547 -22.365 1.00 0.00 N ATOM 0 H HIS A 121 2.929 11.148 -21.021 1.00 0.00 H new ATOM 0 HA HIS A 121 4.564 9.590 -20.717 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.106 11.472 -18.422 1.00 0.00 H new ATOM 0 HB3 HIS A 121 6.224 10.252 -18.998 1.00 0.00 H new ATOM 0 HD2 HIS A 121 6.689 10.418 -21.841 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.035 14.624 -22.029 1.00 0.00 H new ATOM 0 HE2 HIS A 121 6.879 12.571 -23.318 1.00 0.00 H new ATOM 1862 N GLU A 122 4.811 8.236 -18.213 1.00 0.00 N ATOM 1863 CA GLU A 122 4.759 7.024 -17.381 1.00 0.00 C ATOM 1864 C GLU A 122 3.709 5.980 -17.820 1.00 0.00 C ATOM 1865 O GLU A 122 2.538 6.071 -17.445 1.00 0.00 O ATOM 1866 CB GLU A 122 4.617 7.379 -15.888 1.00 0.00 C ATOM 1867 CG GLU A 122 5.926 7.844 -15.225 1.00 0.00 C ATOM 1868 CD GLU A 122 6.284 9.307 -15.494 1.00 0.00 C ATOM 1869 OE1 GLU A 122 5.712 10.185 -14.807 1.00 0.00 O ATOM 1870 OE2 GLU A 122 7.189 9.578 -16.321 1.00 0.00 O ATOM 0 H GLU A 122 5.749 8.637 -18.204 1.00 0.00 H new ATOM 0 HA GLU A 122 5.719 6.531 -17.536 1.00 0.00 H new ATOM 0 HB2 GLU A 122 3.869 8.165 -15.782 1.00 0.00 H new ATOM 0 HB3 GLU A 122 4.241 6.507 -15.353 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.847 7.694 -14.148 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.742 7.212 -15.576 1.00 0.00 H new ATOM 1877 N HIS A 123 4.142 4.986 -18.600 1.00 0.00 N ATOM 1878 CA HIS A 123 3.344 3.846 -19.063 1.00 0.00 C ATOM 1879 C HIS A 123 3.438 2.682 -18.062 1.00 0.00 C ATOM 1880 O HIS A 123 4.102 2.801 -17.027 1.00 0.00 O ATOM 1881 CB HIS A 123 3.871 3.423 -20.446 1.00 0.00 C ATOM 1882 CG HIS A 123 2.942 2.524 -21.233 1.00 0.00 C ATOM 1883 ND1 HIS A 123 3.189 1.198 -21.532 1.00 0.00 N ATOM 1884 CD2 HIS A 123 1.737 2.871 -21.785 1.00 0.00 C ATOM 1885 CE1 HIS A 123 2.160 0.748 -22.275 1.00 0.00 C ATOM 1886 NE2 HIS A 123 1.260 1.742 -22.431 1.00 0.00 N ATOM 0 H HIS A 123 5.102 4.952 -18.942 1.00 0.00 H new ATOM 0 HA HIS A 123 2.294 4.128 -19.138 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.069 4.320 -21.033 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.824 2.911 -20.315 1.00 0.00 H new ATOM 0 HD2 HIS A 123 1.254 3.835 -21.728 1.00 0.00 H new ATOM 0 HE1 HIS A 123 2.069 -0.249 -22.681 1.00 0.00 H new ATOM 0 HE2 HIS A 123 0.378 1.673 -22.939 1.00 0.00 H new ATOM 1895 N HIS A 124 2.769 1.562 -18.355 1.00 0.00 N ATOM 1896 CA HIS A 124 3.099 0.271 -17.764 1.00 0.00 C ATOM 1897 C HIS A 124 4.261 -0.360 -18.515 1.00 0.00 C ATOM 1898 O HIS A 124 4.709 -1.440 -18.084 1.00 0.00 O ATOM 1899 CB HIS A 124 1.894 -0.680 -17.745 1.00 0.00 C ATOM 1900 CG HIS A 124 1.360 -1.104 -19.090 1.00 0.00 C ATOM 1901 ND1 HIS A 124 1.781 -2.200 -19.821 1.00 0.00 N ATOM 1902 CD2 HIS A 124 0.243 -0.598 -19.693 1.00 0.00 C ATOM 1903 CE1 HIS A 124 0.919 -2.358 -20.840 1.00 0.00 C ATOM 1904 NE2 HIS A 124 -0.019 -1.393 -20.788 1.00 0.00 N ATOM 0 H HIS A 124 1.986 1.530 -19.008 1.00 0.00 H new ATOM 0 HA HIS A 124 3.388 0.445 -16.727 1.00 0.00 H new ATOM 0 HB2 HIS A 124 2.173 -1.575 -17.189 1.00 0.00 H new ATOM 0 HB3 HIS A 124 1.087 -0.200 -17.192 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -0.327 0.262 -19.372 1.00 0.00 H new ATOM 0 HE1 HIS A 124 0.971 -3.138 -21.585 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -0.790 -1.272 -21.445 1.00 0.00 H new TER 1913 HIS A 124