USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=18 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 Single : A 1 MET CE :methyl -120:sc= -0.508 (180deg=-2.08!) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0717 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0904 USER MOD Single : A 10 ASN : amide:sc= 0.0036 K(o=0.0036,f=-3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 130:sc= 1.54 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0828 USER MOD Single : A 20 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=-0.016) 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 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.022 K(o=-0.022,f=-0.71) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 41 SER OG : rot 83:sc= 0.554 USER MOD Single : A 45 ASN : amide:sc= 0.17 K(o=0.17,f=-2.4) 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=-0.031) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl -177:sc= -1.07 (180deg=-1.09) USER MOD Single : A 87 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.203) USER MOD Single : A 90 LYS NZ :NH3+ 140:sc= 0.495 (180deg=-0.0494) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0892 USER MOD Single : A 101 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1) USER MOD Single : A 102 GLN : amide:sc= -1.02 X(o=-1,f=-1.2) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 81:sc= 1.08 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 113 TYR OH : rot 180:sc= -0.0011 USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.46) USER MOD Single : A 119 HIS : no HD1:sc= -0.0767 X(o=-0.077,f=0) USER MOD Single : A 120 HIS : no HE2:sc= 0.542 K(o=0.54,f=-1.8!) USER MOD Single : A 121 HIS : no HD1:sc= -0.0224 X(o=-0.022,f=-0.022) USER MOD Single : A 123 HIS : no HE2:sc= -0.622 K(o=-0.62,f=-3.1!) USER MOD Single : A 124 HIS : no HD1:sc= -0.703 K(o=-0.7,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.790 -9.617 -4.178 1.00 0.00 N ATOM 2 CA MET A 1 -3.841 -8.185 -3.882 1.00 0.00 C ATOM 3 C MET A 1 -2.622 -7.827 -3.040 1.00 0.00 C ATOM 4 O MET A 1 -2.171 -8.636 -2.227 1.00 0.00 O ATOM 5 CB MET A 1 -5.192 -7.835 -3.240 1.00 0.00 C ATOM 6 CG MET A 1 -5.354 -6.358 -2.865 1.00 0.00 C ATOM 7 SD MET A 1 -7.072 -5.770 -2.763 1.00 0.00 S ATOM 8 CE MET A 1 -7.692 -6.061 -4.444 1.00 0.00 C ATOM 0 H1 MET A 1 -4.751 -10.013 -4.143 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.390 -9.761 -5.127 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.193 -10.096 -3.474 1.00 0.00 H new ATOM 0 HA MET A 1 -3.788 -7.578 -4.786 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.990 -8.111 -3.929 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.322 -8.441 -2.343 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.871 -6.189 -1.903 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.822 -5.753 -3.599 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.009 -5.115 -4.884 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.900 -6.497 -5.053 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.539 -6.746 -4.406 1.00 0.00 H new ATOM 18 N ILE A 2 -2.059 -6.637 -3.256 1.00 0.00 N ATOM 19 CA ILE A 2 -0.907 -6.097 -2.537 1.00 0.00 C ATOM 20 C ILE A 2 -1.334 -4.685 -2.140 1.00 0.00 C ATOM 21 O ILE A 2 -2.019 -4.024 -2.927 1.00 0.00 O ATOM 22 CB ILE A 2 0.371 -6.119 -3.414 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.527 -7.461 -4.165 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.629 -5.806 -2.591 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.854 -7.652 -4.905 1.00 0.00 C ATOM 0 H ILE A 2 -2.410 -5.997 -3.968 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.640 -6.690 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 2 0.255 -5.332 -4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.410 -8.274 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.287 -7.551 -4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.504 -5.831 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.535 -4.815 -2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.742 -6.549 -1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.859 -8.625 -5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.970 -6.867 -5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.678 -7.601 -4.193 1.00 0.00 H new ATOM 37 N ILE A 3 -1.002 -4.271 -0.922 1.00 0.00 N ATOM 38 CA ILE A 3 -1.608 -3.197 -0.156 1.00 0.00 C ATOM 39 C ILE A 3 -0.473 -2.260 0.237 1.00 0.00 C ATOM 40 O ILE A 3 0.369 -2.619 1.060 1.00 0.00 O ATOM 41 CB ILE A 3 -2.349 -3.787 1.063 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.578 -4.605 0.597 1.00 0.00 C ATOM 43 CG2 ILE A 3 -2.759 -2.693 2.064 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.884 -5.793 1.512 1.00 0.00 C ATOM 0 H ILE A 3 -0.242 -4.715 -0.408 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.354 -2.643 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.663 -4.455 1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.449 -3.951 0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.404 -4.968 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.278 -3.148 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.869 -2.175 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.421 -1.980 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.755 -6.328 1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.027 -6.466 1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.088 -5.433 2.520 1.00 0.00 H new ATOM 56 N ALA A 4 -0.384 -1.108 -0.415 1.00 0.00 N ATOM 57 CA ALA A 4 0.683 -0.151 -0.168 1.00 0.00 C ATOM 58 C ALA A 4 0.390 0.653 1.075 1.00 0.00 C ATOM 59 O ALA A 4 -0.764 1.053 1.273 1.00 0.00 O ATOM 60 CB ALA A 4 0.831 0.821 -1.347 1.00 0.00 C ATOM 0 H ALA A 4 -1.050 -0.812 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 4 1.607 -0.715 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.635 1.527 -1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.065 0.261 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.102 1.366 -1.489 1.00 0.00 H new ATOM 66 N ILE A 5 1.420 0.990 1.842 1.00 0.00 N ATOM 67 CA ILE A 5 1.313 1.905 2.970 1.00 0.00 C ATOM 68 C ILE A 5 2.613 2.716 2.969 1.00 0.00 C ATOM 69 O ILE A 5 3.687 2.123 3.047 1.00 0.00 O ATOM 70 CB ILE A 5 1.065 1.151 4.303 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.160 0.208 4.196 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.838 2.192 5.416 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.531 -0.569 5.456 1.00 0.00 C ATOM 0 H ILE A 5 2.363 0.631 1.696 1.00 0.00 H new ATOM 0 HA ILE A 5 0.452 2.566 2.875 1.00 0.00 H new ATOM 0 HB ILE A 5 1.933 0.534 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.023 0.802 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.029 -0.508 3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.662 1.680 6.362 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.719 2.827 5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.028 2.806 5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.402 -1.192 5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.306 -1.200 5.754 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.762 0.130 6.260 1.00 0.00 H new ATOM 85 N PRO A 6 2.594 4.040 2.768 1.00 0.00 N ATOM 86 CA PRO A 6 3.792 4.848 2.932 1.00 0.00 C ATOM 87 C PRO A 6 4.057 4.946 4.434 1.00 0.00 C ATOM 88 O PRO A 6 3.188 5.436 5.146 1.00 0.00 O ATOM 89 CB PRO A 6 3.455 6.186 2.268 1.00 0.00 C ATOM 90 CG PRO A 6 1.940 6.315 2.437 1.00 0.00 C ATOM 91 CD PRO A 6 1.452 4.865 2.407 1.00 0.00 C ATOM 0 HA PRO A 6 4.699 4.450 2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.981 7.012 2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.741 6.192 1.216 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.681 6.806 3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.496 6.905 1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.630 4.717 3.107 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.079 4.601 1.417 1.00 0.00 H new ATOM 99 N VAL A 7 5.198 4.476 4.937 1.00 0.00 N ATOM 100 CA VAL A 7 5.553 4.546 6.358 1.00 0.00 C ATOM 101 C VAL A 7 6.698 5.531 6.567 1.00 0.00 C ATOM 102 O VAL A 7 7.590 5.638 5.723 1.00 0.00 O ATOM 103 CB VAL A 7 5.875 3.147 6.910 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.581 2.349 7.067 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.889 2.367 6.061 1.00 0.00 C ATOM 0 H VAL A 7 5.913 4.029 4.363 1.00 0.00 H new ATOM 0 HA VAL A 7 4.697 4.917 6.922 1.00 0.00 H new ATOM 0 HB VAL A 7 6.350 3.292 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.810 1.358 7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.916 2.867 7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.093 2.252 6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.066 1.391 6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.495 2.235 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.827 2.921 6.014 1.00 0.00 H new ATOM 115 N SER A 8 6.661 6.294 7.659 1.00 0.00 N ATOM 116 CA SER A 8 7.676 7.300 7.937 1.00 0.00 C ATOM 117 C SER A 8 9.032 6.694 8.278 1.00 0.00 C ATOM 118 O SER A 8 10.020 7.413 8.156 1.00 0.00 O ATOM 119 CB SER A 8 7.228 8.198 9.092 1.00 0.00 C ATOM 120 OG SER A 8 6.348 9.185 8.591 1.00 0.00 O ATOM 0 H SER A 8 5.931 6.230 8.369 1.00 0.00 H new ATOM 0 HA SER A 8 7.792 7.882 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.731 7.605 9.860 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.092 8.667 9.562 1.00 0.00 H new ATOM 0 HG SER A 8 6.054 9.764 9.325 1.00 0.00 H new ATOM 126 N GLU A 9 9.084 5.436 8.721 1.00 0.00 N ATOM 127 CA GLU A 9 10.298 4.716 9.060 1.00 0.00 C ATOM 128 C GLU A 9 10.042 3.250 8.732 1.00 0.00 C ATOM 129 O GLU A 9 8.885 2.806 8.724 1.00 0.00 O ATOM 130 CB GLU A 9 10.595 4.872 10.557 1.00 0.00 C ATOM 131 CG GLU A 9 11.164 6.245 10.939 1.00 0.00 C ATOM 132 CD GLU A 9 12.656 6.417 10.637 1.00 0.00 C ATOM 133 OE1 GLU A 9 13.451 5.530 11.028 1.00 0.00 O ATOM 134 OE2 GLU A 9 13.057 7.415 9.998 1.00 0.00 O ATOM 0 H GLU A 9 8.243 4.875 8.856 1.00 0.00 H new ATOM 0 HA GLU A 9 11.153 5.100 8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.677 4.701 11.119 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.302 4.100 10.859 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.607 7.016 10.408 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.000 6.410 12.004 1.00 0.00 H new ATOM 141 N ASN A 10 11.117 2.501 8.506 1.00 0.00 N ATOM 142 CA ASN A 10 11.064 1.084 8.186 1.00 0.00 C ATOM 143 C ASN A 10 11.133 0.356 9.518 1.00 0.00 C ATOM 144 O ASN A 10 12.208 0.226 10.088 1.00 0.00 O ATOM 145 CB ASN A 10 12.233 0.684 7.289 1.00 0.00 C ATOM 146 CG ASN A 10 12.083 -0.721 6.722 1.00 0.00 C ATOM 147 OD1 ASN A 10 11.654 -1.648 7.407 1.00 0.00 O ATOM 148 ND2 ASN A 10 12.406 -0.903 5.450 1.00 0.00 N ATOM 0 H ASN A 10 12.066 2.872 8.542 1.00 0.00 H new ATOM 0 HA ASN A 10 10.155 0.833 7.640 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.316 1.396 6.468 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.160 0.745 7.859 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.300 -1.824 5.024 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.760 -0.123 4.897 1.00 0.00 H new ATOM 155 N ARG A 11 9.981 -0.048 10.049 1.00 0.00 N ATOM 156 CA ARG A 11 9.944 -0.733 11.339 1.00 0.00 C ATOM 157 C ARG A 11 9.068 -1.984 11.236 1.00 0.00 C ATOM 158 O ARG A 11 8.353 -2.313 12.171 1.00 0.00 O ATOM 159 CB ARG A 11 9.498 0.246 12.432 1.00 0.00 C ATOM 160 CG ARG A 11 10.352 1.523 12.552 1.00 0.00 C ATOM 161 CD ARG A 11 9.997 2.279 13.839 1.00 0.00 C ATOM 162 NE ARG A 11 11.017 3.279 14.198 1.00 0.00 N ATOM 163 CZ ARG A 11 11.237 3.733 15.442 1.00 0.00 C ATOM 164 NH1 ARG A 11 10.495 3.298 16.450 1.00 0.00 N ATOM 165 NH2 ARG A 11 12.182 4.637 15.680 1.00 0.00 N ATOM 0 H ARG A 11 9.069 0.085 9.611 1.00 0.00 H new ATOM 0 HA ARG A 11 10.939 -1.077 11.621 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.465 0.535 12.240 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.511 -0.273 13.391 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.410 1.262 12.555 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.184 2.164 11.687 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.034 2.774 13.713 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.885 1.567 14.657 1.00 0.00 H new ATOM 0 HE ARG A 11 11.598 3.653 13.448 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.755 2.617 16.282 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.664 3.644 17.394 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.751 4.994 14.912 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.338 4.973 16.630 1.00 0.00 H new ATOM 179 N GLY A 12 9.127 -2.704 10.105 1.00 0.00 N ATOM 180 CA GLY A 12 8.361 -3.924 9.873 1.00 0.00 C ATOM 181 C GLY A 12 6.862 -3.723 10.090 1.00 0.00 C ATOM 182 O GLY A 12 6.209 -3.056 9.283 1.00 0.00 O ATOM 0 H GLY A 12 9.720 -2.445 9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.534 -4.270 8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.720 -4.707 10.541 1.00 0.00 H new ATOM 186 N LYS A 13 6.322 -4.297 11.163 1.00 0.00 N ATOM 187 CA LYS A 13 4.915 -4.216 11.560 1.00 0.00 C ATOM 188 C LYS A 13 4.660 -2.891 12.276 1.00 0.00 C ATOM 189 O LYS A 13 3.661 -2.226 12.002 1.00 0.00 O ATOM 190 CB LYS A 13 4.592 -5.389 12.504 1.00 0.00 C ATOM 191 CG LYS A 13 4.862 -6.765 11.867 1.00 0.00 C ATOM 192 CD LYS A 13 4.911 -7.913 12.884 1.00 0.00 C ATOM 193 CE LYS A 13 6.122 -7.749 13.814 1.00 0.00 C ATOM 194 NZ LYS A 13 6.459 -8.993 14.541 1.00 0.00 N ATOM 0 H LYS A 13 6.877 -4.857 11.810 1.00 0.00 H new ATOM 0 HA LYS A 13 4.278 -4.271 10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.187 -5.292 13.412 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.545 -5.331 12.801 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.085 -6.975 11.132 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.809 -6.727 11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.993 -7.928 13.471 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.971 -8.868 12.362 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.984 -7.431 13.228 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.917 -6.957 14.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.283 -8.825 15.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.649 -9.285 15.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.683 -9.745 13.858 1.00 0.00 H new ATOM 208 N ASP A 14 5.607 -2.496 13.134 1.00 0.00 N ATOM 209 CA ASP A 14 5.570 -1.285 13.966 1.00 0.00 C ATOM 210 C ASP A 14 5.551 0.003 13.126 1.00 0.00 C ATOM 211 O ASP A 14 5.259 1.070 13.666 1.00 0.00 O ATOM 212 CB ASP A 14 6.783 -1.176 14.926 1.00 0.00 C ATOM 213 CG ASP A 14 7.317 -2.468 15.552 1.00 0.00 C ATOM 214 OD1 ASP A 14 6.689 -3.005 16.501 1.00 0.00 O ATOM 215 OD2 ASP A 14 8.376 -2.969 15.109 1.00 0.00 O ATOM 0 H ASP A 14 6.461 -3.036 13.275 1.00 0.00 H new ATOM 0 HA ASP A 14 4.647 -1.382 14.538 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.601 -0.705 14.380 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.509 -0.500 15.736 1.00 0.00 H new ATOM 220 N SER A 15 5.896 -0.085 11.833 1.00 0.00 N ATOM 221 CA SER A 15 5.984 0.983 10.834 1.00 0.00 C ATOM 222 C SER A 15 4.848 2.010 10.972 1.00 0.00 C ATOM 223 O SER A 15 3.708 1.702 10.609 1.00 0.00 O ATOM 224 CB SER A 15 6.053 0.358 9.449 1.00 0.00 C ATOM 225 OG SER A 15 7.113 -0.569 9.362 1.00 0.00 O ATOM 0 H SER A 15 6.142 -0.988 11.427 1.00 0.00 H new ATOM 0 HA SER A 15 6.897 1.555 11.002 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.110 -0.141 9.224 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.187 1.139 8.700 1.00 0.00 H new ATOM 0 HG SER A 15 6.780 -1.413 8.991 1.00 0.00 H new ATOM 231 N PRO A 16 5.114 3.215 11.515 1.00 0.00 N ATOM 232 CA PRO A 16 4.106 4.265 11.600 1.00 0.00 C ATOM 233 C PRO A 16 3.833 4.819 10.201 1.00 0.00 C ATOM 234 O PRO A 16 4.777 5.059 9.439 1.00 0.00 O ATOM 235 CB PRO A 16 4.699 5.325 12.531 1.00 0.00 C ATOM 236 CG PRO A 16 6.210 5.156 12.373 1.00 0.00 C ATOM 237 CD PRO A 16 6.374 3.660 12.109 1.00 0.00 C ATOM 0 HA PRO A 16 3.151 3.910 11.987 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.378 6.328 12.249 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.386 5.169 13.563 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.597 5.754 11.548 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.745 5.467 13.270 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.211 3.472 11.436 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.581 3.121 13.033 1.00 0.00 H new ATOM 245 N ILE A 17 2.559 5.024 9.853 1.00 0.00 N ATOM 246 CA ILE A 17 2.197 5.558 8.545 1.00 0.00 C ATOM 247 C ILE A 17 2.792 6.977 8.359 1.00 0.00 C ATOM 248 O ILE A 17 2.942 7.745 9.312 1.00 0.00 O ATOM 249 CB ILE A 17 0.660 5.480 8.325 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.390 5.680 6.815 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.067 6.438 9.273 1.00 0.00 C ATOM 252 CD1 ILE A 17 -0.970 5.252 6.281 1.00 0.00 C ATOM 0 H ILE A 17 1.764 4.827 10.462 1.00 0.00 H new ATOM 0 HA ILE A 17 2.637 4.942 7.761 1.00 0.00 H new ATOM 0 HB ILE A 17 0.249 4.505 8.586 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.523 6.737 6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.155 5.136 6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.142 6.370 9.105 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.157 6.168 10.305 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.266 7.459 9.085 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.019 5.450 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.112 4.186 6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.754 5.813 6.790 1.00 0.00 H new ATOM 264 N SER A 18 3.129 7.325 7.120 1.00 0.00 N ATOM 265 CA SER A 18 3.540 8.636 6.640 1.00 0.00 C ATOM 266 C SER A 18 2.316 9.535 6.457 1.00 0.00 C ATOM 267 O SER A 18 1.164 9.118 6.581 1.00 0.00 O ATOM 268 CB SER A 18 4.241 8.427 5.286 1.00 0.00 C ATOM 269 OG SER A 18 4.802 9.602 4.723 1.00 0.00 O ATOM 0 H SER A 18 3.120 6.638 6.366 1.00 0.00 H new ATOM 0 HA SER A 18 4.209 9.115 7.355 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.032 7.687 5.412 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.523 8.009 4.581 1.00 0.00 H new ATOM 0 HG SER A 18 5.228 9.384 3.868 1.00 0.00 H new ATOM 275 N GLU A 19 2.571 10.777 6.052 1.00 0.00 N ATOM 276 CA GLU A 19 1.535 11.729 5.703 1.00 0.00 C ATOM 277 C GLU A 19 1.479 11.981 4.195 1.00 0.00 C ATOM 278 O GLU A 19 0.386 12.214 3.670 1.00 0.00 O ATOM 279 CB GLU A 19 1.723 13.027 6.494 1.00 0.00 C ATOM 280 CG GLU A 19 1.516 12.800 7.998 1.00 0.00 C ATOM 281 CD GLU A 19 1.549 14.122 8.755 1.00 0.00 C ATOM 282 OE1 GLU A 19 2.607 14.789 8.769 1.00 0.00 O ATOM 283 OE2 GLU A 19 0.498 14.533 9.299 1.00 0.00 O ATOM 0 H GLU A 19 3.516 11.149 5.958 1.00 0.00 H new ATOM 0 HA GLU A 19 0.571 11.301 5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.724 13.421 6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.018 13.778 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.561 12.303 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.292 12.137 8.380 1.00 0.00 H new ATOM 290 N HIS A 20 2.599 11.884 3.463 1.00 0.00 N ATOM 291 CA HIS A 20 2.712 12.421 2.102 1.00 0.00 C ATOM 292 C HIS A 20 3.360 11.402 1.175 1.00 0.00 C ATOM 293 O HIS A 20 4.576 11.399 0.999 1.00 0.00 O ATOM 294 CB HIS A 20 3.510 13.738 2.100 1.00 0.00 C ATOM 295 CG HIS A 20 3.066 14.726 3.142 1.00 0.00 C ATOM 296 ND1 HIS A 20 1.809 15.297 3.272 1.00 0.00 N ATOM 297 CD2 HIS A 20 3.843 15.143 4.184 1.00 0.00 C ATOM 298 CE1 HIS A 20 1.838 16.042 4.392 1.00 0.00 C ATOM 299 NE2 HIS A 20 3.058 15.973 4.947 1.00 0.00 N ATOM 0 H HIS A 20 3.449 11.432 3.799 1.00 0.00 H new ATOM 0 HA HIS A 20 1.707 12.630 1.734 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.565 13.511 2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.425 14.200 1.117 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.872 14.874 4.372 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.007 16.609 4.784 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.353 16.457 5.795 1.00 0.00 H new ATOM 308 N PHE A 21 2.530 10.571 0.542 1.00 0.00 N ATOM 309 CA PHE A 21 2.947 9.552 -0.416 1.00 0.00 C ATOM 310 C PHE A 21 4.010 10.058 -1.407 1.00 0.00 C ATOM 311 O PHE A 21 4.977 9.357 -1.684 1.00 0.00 O ATOM 312 CB PHE A 21 1.696 9.040 -1.145 1.00 0.00 C ATOM 313 CG PHE A 21 2.002 7.938 -2.139 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.322 8.259 -3.473 1.00 0.00 C ATOM 315 CD2 PHE A 21 2.042 6.596 -1.714 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.683 7.247 -4.378 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.452 5.592 -2.606 1.00 0.00 C ATOM 318 CZ PHE A 21 2.787 5.924 -3.930 1.00 0.00 C ATOM 0 H PHE A 21 1.521 10.591 0.688 1.00 0.00 H new ATOM 0 HA PHE A 21 3.428 8.738 0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.979 8.672 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.220 9.871 -1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.290 9.287 -3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.758 6.340 -0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.879 7.488 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.510 4.566 -2.275 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.127 5.154 -4.607 1.00 0.00 H new ATOM 328 N GLY A 22 3.857 11.279 -1.936 1.00 0.00 N ATOM 329 CA GLY A 22 4.746 11.809 -2.968 1.00 0.00 C ATOM 330 C GLY A 22 6.165 12.164 -2.512 1.00 0.00 C ATOM 331 O GLY A 22 6.946 12.615 -3.350 1.00 0.00 O ATOM 0 H GLY A 22 3.115 11.922 -1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.816 11.076 -3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.287 12.702 -3.391 1.00 0.00 H new ATOM 335 N ARG A 23 6.501 12.007 -1.228 1.00 0.00 N ATOM 336 CA ARG A 23 7.870 12.039 -0.702 1.00 0.00 C ATOM 337 C ARG A 23 7.955 11.105 0.507 1.00 0.00 C ATOM 338 O ARG A 23 8.408 11.479 1.586 1.00 0.00 O ATOM 339 CB ARG A 23 8.339 13.474 -0.394 1.00 0.00 C ATOM 340 CG ARG A 23 7.434 14.236 0.590 1.00 0.00 C ATOM 341 CD ARG A 23 6.594 15.315 -0.103 1.00 0.00 C ATOM 342 NE ARG A 23 7.387 16.518 -0.414 1.00 0.00 N ATOM 343 CZ ARG A 23 6.868 17.688 -0.804 1.00 0.00 C ATOM 344 NH1 ARG A 23 5.622 17.742 -1.265 1.00 0.00 N ATOM 345 NH2 ARG A 23 7.600 18.788 -0.724 1.00 0.00 N ATOM 0 H ARG A 23 5.804 11.849 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 23 8.561 11.678 -1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.349 13.434 0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.395 14.034 -1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.772 13.530 1.091 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.049 14.699 1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.173 14.911 -1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.756 15.589 0.538 1.00 0.00 H new ATOM 0 HE ARG A 23 8.401 16.454 -0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.062 16.891 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.226 18.634 -1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.554 18.741 -0.367 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.210 19.683 -1.020 1.00 0.00 H new ATOM 359 N ALA A 24 7.415 9.904 0.348 1.00 0.00 N ATOM 360 CA ALA A 24 7.526 8.823 1.309 1.00 0.00 C ATOM 361 C ALA A 24 8.976 8.310 1.335 1.00 0.00 C ATOM 362 O ALA A 24 9.492 8.058 0.245 1.00 0.00 O ATOM 363 CB ALA A 24 6.583 7.731 0.804 1.00 0.00 C ATOM 0 H ALA A 24 6.873 9.651 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 24 7.268 9.137 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.615 6.880 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.566 8.121 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.894 7.413 -0.191 1.00 0.00 H new ATOM 369 N PRO A 25 9.620 8.101 2.500 1.00 0.00 N ATOM 370 CA PRO A 25 10.912 7.411 2.580 1.00 0.00 C ATOM 371 C PRO A 25 10.814 5.893 2.351 1.00 0.00 C ATOM 372 O PRO A 25 11.809 5.272 1.979 1.00 0.00 O ATOM 373 CB PRO A 25 11.455 7.719 3.980 1.00 0.00 C ATOM 374 CG PRO A 25 10.205 8.002 4.809 1.00 0.00 C ATOM 375 CD PRO A 25 9.264 8.654 3.799 1.00 0.00 C ATOM 0 HA PRO A 25 11.571 7.763 1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.019 6.878 4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.128 8.577 3.967 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.781 7.088 5.224 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.418 8.664 5.648 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.223 8.440 4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.376 9.738 3.805 1.00 0.00 H new ATOM 383 N TYR A 26 9.643 5.284 2.561 1.00 0.00 N ATOM 384 CA TYR A 26 9.434 3.846 2.423 1.00 0.00 C ATOM 385 C TYR A 26 8.021 3.585 1.931 1.00 0.00 C ATOM 386 O TYR A 26 7.104 4.362 2.232 1.00 0.00 O ATOM 387 CB TYR A 26 9.588 3.168 3.787 1.00 0.00 C ATOM 388 CG TYR A 26 10.964 3.274 4.391 1.00 0.00 C ATOM 389 CD1 TYR A 26 11.959 2.362 4.004 1.00 0.00 C ATOM 390 CD2 TYR A 26 11.253 4.282 5.331 1.00 0.00 C ATOM 391 CE1 TYR A 26 13.258 2.495 4.515 1.00 0.00 C ATOM 392 CE2 TYR A 26 12.549 4.408 5.852 1.00 0.00 C ATOM 393 CZ TYR A 26 13.568 3.529 5.420 1.00 0.00 C ATOM 394 OH TYR A 26 14.845 3.635 5.869 1.00 0.00 O ATOM 0 H TYR A 26 8.801 5.789 2.837 1.00 0.00 H new ATOM 0 HA TYR A 26 10.166 3.451 1.718 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.868 3.606 4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.331 2.114 3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 26 11.725 1.563 3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.475 4.959 5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 26 14.027 1.799 4.212 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.768 5.174 6.581 1.00 0.00 H new ATOM 0 HH TYR A 26 14.913 4.393 6.486 1.00 0.00 H new ATOM 404 N PHE A 27 7.836 2.448 1.261 1.00 0.00 N ATOM 405 CA PHE A 27 6.545 1.936 0.827 1.00 0.00 C ATOM 406 C PHE A 27 6.445 0.493 1.305 1.00 0.00 C ATOM 407 O PHE A 27 7.091 -0.411 0.769 1.00 0.00 O ATOM 408 CB PHE A 27 6.359 2.062 -0.694 1.00 0.00 C ATOM 409 CG PHE A 27 6.248 3.461 -1.281 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.488 4.449 -0.638 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.827 3.765 -2.527 1.00 0.00 C ATOM 412 CE1 PHE A 27 5.263 5.684 -1.251 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.602 5.006 -3.153 1.00 0.00 C ATOM 414 CZ PHE A 27 5.808 5.968 -2.509 1.00 0.00 C ATOM 0 H PHE A 27 8.611 1.839 0.998 1.00 0.00 H new ATOM 0 HA PHE A 27 5.739 2.527 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.199 1.562 -1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.459 1.511 -0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.073 4.253 0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.456 3.033 -3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.662 6.428 -0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.036 5.216 -4.119 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.619 6.921 -2.981 1.00 0.00 H new ATOM 424 N ALA A 28 5.667 0.262 2.361 1.00 0.00 N ATOM 425 CA ALA A 28 5.325 -1.037 2.906 1.00 0.00 C ATOM 426 C ALA A 28 4.211 -1.652 2.059 1.00 0.00 C ATOM 427 O ALA A 28 3.040 -1.381 2.304 1.00 0.00 O ATOM 428 CB ALA A 28 4.901 -0.838 4.369 1.00 0.00 C ATOM 0 H ALA A 28 5.237 1.025 2.884 1.00 0.00 H new ATOM 0 HA ALA A 28 6.171 -1.723 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.637 -1.801 4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.726 -0.399 4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.039 -0.173 4.411 1.00 0.00 H new ATOM 434 N PHE A 29 4.564 -2.440 1.036 1.00 0.00 N ATOM 435 CA PHE A 29 3.605 -3.201 0.261 1.00 0.00 C ATOM 436 C PHE A 29 3.338 -4.519 0.991 1.00 0.00 C ATOM 437 O PHE A 29 4.088 -5.496 0.861 1.00 0.00 O ATOM 438 CB PHE A 29 4.085 -3.391 -1.188 1.00 0.00 C ATOM 439 CG PHE A 29 3.514 -2.421 -2.224 1.00 0.00 C ATOM 440 CD1 PHE A 29 2.116 -2.257 -2.358 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.364 -1.682 -3.078 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.570 -1.376 -3.307 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.805 -0.889 -4.096 1.00 0.00 C ATOM 444 CZ PHE A 29 2.417 -0.703 -4.197 1.00 0.00 C ATOM 0 H PHE A 29 5.529 -2.561 0.730 1.00 0.00 H new ATOM 0 HA PHE A 29 2.663 -2.659 0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.172 -3.306 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.840 -4.407 -1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.454 -2.821 -1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.435 -1.726 -2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.502 -1.219 -3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.456 -0.414 -4.814 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.007 -0.049 -4.952 1.00 0.00 H new ATOM 454 N VAL A 30 2.276 -4.566 1.771 1.00 0.00 N ATOM 455 CA VAL A 30 1.813 -5.760 2.448 1.00 0.00 C ATOM 456 C VAL A 30 1.060 -6.589 1.406 1.00 0.00 C ATOM 457 O VAL A 30 0.676 -6.058 0.340 1.00 0.00 O ATOM 458 CB VAL A 30 0.902 -5.361 3.625 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.657 -6.529 4.588 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.470 -4.198 4.469 1.00 0.00 C ATOM 0 H VAL A 30 1.694 -3.749 1.956 1.00 0.00 H new ATOM 0 HA VAL A 30 2.636 -6.343 2.862 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.027 -5.049 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.010 -6.200 5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.178 -7.348 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.608 -6.870 4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.780 -3.967 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.435 -4.487 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.596 -3.318 3.838 1.00 0.00 H new ATOM 470 N LYS A 31 0.855 -7.875 1.613 1.00 0.00 N ATOM 471 CA LYS A 31 0.116 -8.745 0.700 1.00 0.00 C ATOM 472 C LYS A 31 -1.194 -9.150 1.361 1.00 0.00 C ATOM 473 O LYS A 31 -1.572 -8.596 2.392 1.00 0.00 O ATOM 474 CB LYS A 31 0.995 -9.931 0.272 1.00 0.00 C ATOM 475 CG LYS A 31 2.304 -9.446 -0.365 1.00 0.00 C ATOM 476 CD LYS A 31 2.983 -10.528 -1.209 1.00 0.00 C ATOM 477 CE LYS A 31 2.547 -10.366 -2.672 1.00 0.00 C ATOM 478 NZ LYS A 31 3.331 -11.207 -3.594 1.00 0.00 N ATOM 0 H LYS A 31 1.203 -8.362 2.439 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.140 -8.222 -0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.217 -10.554 1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.450 -10.554 -0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.099 -8.577 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.987 -9.120 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.067 -10.445 -1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.711 -11.518 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.491 -10.621 -2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.649 -9.321 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.997 -11.060 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.336 -10.948 -3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.214 -12.208 -3.336 1.00 0.00 H new ATOM 492 N VAL A 32 -1.898 -10.099 0.761 1.00 0.00 N ATOM 493 CA VAL A 32 -2.949 -10.841 1.429 1.00 0.00 C ATOM 494 C VAL A 32 -3.020 -12.210 0.748 1.00 0.00 C ATOM 495 O VAL A 32 -2.818 -12.343 -0.463 1.00 0.00 O ATOM 496 CB VAL A 32 -4.260 -10.012 1.400 1.00 0.00 C ATOM 497 CG1 VAL A 32 -4.747 -9.703 -0.021 1.00 0.00 C ATOM 498 CG2 VAL A 32 -5.414 -10.641 2.187 1.00 0.00 C ATOM 0 H VAL A 32 -1.752 -10.375 -0.210 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.758 -11.015 2.488 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.977 -9.082 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.667 -9.121 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.985 -9.132 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.936 -10.636 -0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.293 -10.001 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.645 -11.622 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.125 -10.748 3.233 1.00 0.00 H new ATOM 508 N LYS A 33 -3.301 -13.234 1.545 1.00 0.00 N ATOM 509 CA LYS A 33 -3.666 -14.586 1.150 1.00 0.00 C ATOM 510 C LYS A 33 -5.149 -14.522 0.788 1.00 0.00 C ATOM 511 O LYS A 33 -5.596 -13.611 0.103 1.00 0.00 O ATOM 512 CB LYS A 33 -3.300 -15.588 2.274 1.00 0.00 C ATOM 513 CG LYS A 33 -3.379 -17.090 1.913 1.00 0.00 C ATOM 514 CD LYS A 33 -2.490 -17.497 0.736 1.00 0.00 C ATOM 515 CE LYS A 33 -3.155 -17.378 -0.640 1.00 0.00 C ATOM 516 NZ LYS A 33 -2.120 -17.392 -1.691 1.00 0.00 N ATOM 0 H LYS A 33 -3.277 -13.131 2.560 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.115 -14.955 0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.285 -15.370 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.960 -15.406 3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.098 -17.678 2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.413 -17.342 1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.592 -16.879 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.168 -18.528 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.852 -18.202 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.734 -16.456 -0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.572 -17.311 -2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.471 -16.592 -1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.586 -18.283 -1.641 1.00 0.00 H new ATOM 530 N ASN A 34 -5.905 -15.531 1.192 1.00 0.00 N ATOM 531 CA ASN A 34 -7.337 -15.637 1.057 1.00 0.00 C ATOM 532 C ASN A 34 -8.012 -14.464 1.782 1.00 0.00 C ATOM 533 O ASN A 34 -8.589 -13.612 1.113 1.00 0.00 O ATOM 534 CB ASN A 34 -7.726 -17.037 1.554 1.00 0.00 C ATOM 535 CG ASN A 34 -9.194 -17.332 1.331 1.00 0.00 C ATOM 536 OD1 ASN A 34 -10.054 -16.709 1.941 1.00 0.00 O ATOM 537 ND2 ASN A 34 -9.499 -18.277 0.464 1.00 0.00 N ATOM 0 H ASN A 34 -5.502 -16.347 1.652 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.684 -15.551 0.027 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.124 -17.785 1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.497 -17.121 2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.476 -18.508 0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.758 -18.777 -0.027 1.00 0.00 H new ATOM 544 N ASN A 35 -7.845 -14.357 3.105 1.00 0.00 N ATOM 545 CA ASN A 35 -8.316 -13.223 3.926 1.00 0.00 C ATOM 546 C ASN A 35 -7.311 -12.868 5.034 1.00 0.00 C ATOM 547 O ASN A 35 -7.672 -12.288 6.055 1.00 0.00 O ATOM 548 CB ASN A 35 -9.694 -13.558 4.531 1.00 0.00 C ATOM 549 CG ASN A 35 -10.561 -12.341 4.854 1.00 0.00 C ATOM 550 OD1 ASN A 35 -10.165 -11.193 4.713 1.00 0.00 O ATOM 551 ND2 ASN A 35 -11.793 -12.566 5.288 1.00 0.00 N ATOM 0 H ASN A 35 -7.367 -15.072 3.653 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.407 -12.349 3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.235 -14.199 3.835 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.545 -14.134 5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.409 -11.782 5.504 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.125 -13.523 5.406 1.00 0.00 H new ATOM 558 N ALA A 36 -6.052 -13.289 4.871 1.00 0.00 N ATOM 559 CA ALA A 36 -5.006 -13.219 5.885 1.00 0.00 C ATOM 560 C ALA A 36 -3.794 -12.467 5.326 1.00 0.00 C ATOM 561 O ALA A 36 -3.686 -12.395 4.108 1.00 0.00 O ATOM 562 CB ALA A 36 -4.637 -14.648 6.294 1.00 0.00 C ATOM 0 H ALA A 36 -5.727 -13.702 3.997 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.355 -12.676 6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.855 -14.619 7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.516 -15.149 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.277 -15.194 5.422 1.00 0.00 H new ATOM 568 N ILE A 37 -2.860 -11.951 6.135 1.00 0.00 N ATOM 569 CA ILE A 37 -1.861 -10.963 5.696 1.00 0.00 C ATOM 570 C ILE A 37 -0.926 -11.512 4.610 1.00 0.00 C ATOM 571 O ILE A 37 -0.422 -10.739 3.802 1.00 0.00 O ATOM 572 CB ILE A 37 -1.099 -10.369 6.923 1.00 0.00 C ATOM 573 CG1 ILE A 37 -1.887 -9.229 7.617 1.00 0.00 C ATOM 574 CG2 ILE A 37 0.274 -9.746 6.574 1.00 0.00 C ATOM 575 CD1 ILE A 37 -3.223 -9.603 8.264 1.00 0.00 C ATOM 0 H ILE A 37 -2.774 -12.207 7.118 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.392 -10.140 5.218 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.974 -11.238 7.569 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.248 -8.794 8.386 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.074 -8.449 6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.738 -9.357 7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.918 -10.508 6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.134 -8.934 5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.671 -8.716 8.713 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.895 -10.004 7.505 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.056 -10.355 9.035 1.00 0.00 H new ATOM 587 N ALA A 38 -0.746 -12.828 4.512 1.00 0.00 N ATOM 588 CA ALA A 38 0.291 -13.520 3.750 1.00 0.00 C ATOM 589 C ALA A 38 1.719 -13.081 4.090 1.00 0.00 C ATOM 590 O ALA A 38 2.528 -13.924 4.487 1.00 0.00 O ATOM 591 CB ALA A 38 0.032 -13.440 2.239 1.00 0.00 C ATOM 0 H ALA A 38 -1.362 -13.482 4.995 1.00 0.00 H new ATOM 0 HA ALA A 38 0.222 -14.563 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.824 -13.966 1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.928 -13.902 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.016 -12.396 1.927 1.00 0.00 H new ATOM 597 N ASP A 39 2.077 -11.830 3.809 1.00 0.00 N ATOM 598 CA ASP A 39 3.459 -11.361 3.784 1.00 0.00 C ATOM 599 C ASP A 39 3.538 -9.837 3.816 1.00 0.00 C ATOM 600 O ASP A 39 2.552 -9.150 3.540 1.00 0.00 O ATOM 601 CB ASP A 39 4.161 -11.864 2.506 1.00 0.00 C ATOM 602 CG ASP A 39 5.303 -12.814 2.841 1.00 0.00 C ATOM 603 OD1 ASP A 39 6.179 -12.444 3.649 1.00 0.00 O ATOM 604 OD2 ASP A 39 5.336 -13.920 2.246 1.00 0.00 O ATOM 0 H ASP A 39 1.400 -11.100 3.588 1.00 0.00 H new ATOM 0 HA ASP A 39 3.953 -11.755 4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.438 -12.371 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.545 -11.015 1.941 1.00 0.00 H new ATOM 609 N ILE A 40 4.735 -9.321 4.089 1.00 0.00 N ATOM 610 CA ILE A 40 5.087 -7.904 4.186 1.00 0.00 C ATOM 611 C ILE A 40 6.227 -7.631 3.173 1.00 0.00 C ATOM 612 O ILE A 40 6.980 -8.550 2.816 1.00 0.00 O ATOM 613 CB ILE A 40 5.444 -7.616 5.672 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.234 -7.882 6.625 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.050 -6.223 5.895 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.615 -6.693 7.380 1.00 0.00 C ATOM 0 H ILE A 40 5.541 -9.923 4.260 1.00 0.00 H new ATOM 0 HA ILE A 40 4.276 -7.225 3.923 1.00 0.00 H new ATOM 0 HB ILE A 40 6.229 -8.327 5.930 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.444 -8.347 6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.552 -8.615 7.366 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.275 -6.089 6.953 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.967 -6.128 5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.338 -5.461 5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.788 -7.045 7.997 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.371 -6.232 8.015 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.246 -5.959 6.663 1.00 0.00 H new ATOM 628 N SER A 41 6.331 -6.395 2.664 1.00 0.00 N ATOM 629 CA SER A 41 7.368 -5.938 1.730 1.00 0.00 C ATOM 630 C SER A 41 7.691 -4.461 2.006 1.00 0.00 C ATOM 631 O SER A 41 7.283 -3.568 1.255 1.00 0.00 O ATOM 632 CB SER A 41 6.947 -6.147 0.258 1.00 0.00 C ATOM 633 OG SER A 41 6.121 -7.287 0.077 1.00 0.00 O ATOM 0 H SER A 41 5.668 -5.657 2.902 1.00 0.00 H new ATOM 0 HA SER A 41 8.264 -6.538 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.417 -5.261 -0.093 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.840 -6.250 -0.359 1.00 0.00 H new ATOM 0 HG SER A 41 5.191 -7.053 0.281 1.00 0.00 H new ATOM 639 N VAL A 42 8.388 -4.184 3.108 1.00 0.00 N ATOM 640 CA VAL A 42 8.777 -2.829 3.485 1.00 0.00 C ATOM 641 C VAL A 42 10.150 -2.533 2.878 1.00 0.00 C ATOM 642 O VAL A 42 11.194 -2.746 3.491 1.00 0.00 O ATOM 643 CB VAL A 42 8.576 -2.605 4.999 1.00 0.00 C ATOM 644 CG1 VAL A 42 9.378 -3.545 5.911 1.00 0.00 C ATOM 645 CG2 VAL A 42 8.787 -1.129 5.364 1.00 0.00 C ATOM 0 H VAL A 42 8.699 -4.898 3.766 1.00 0.00 H new ATOM 0 HA VAL A 42 8.127 -2.063 3.062 1.00 0.00 H new ATOM 0 HB VAL A 42 7.538 -2.874 5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.168 -3.307 6.954 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.093 -4.578 5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.443 -3.418 5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.640 -0.995 6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.800 -0.829 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.071 -0.514 4.820 1.00 0.00 H new ATOM 655 N GLU A 43 10.121 -2.097 1.619 1.00 0.00 N ATOM 656 CA GLU A 43 11.299 -1.774 0.826 1.00 0.00 C ATOM 657 C GLU A 43 11.535 -0.261 0.907 1.00 0.00 C ATOM 658 O GLU A 43 10.598 0.525 1.111 1.00 0.00 O ATOM 659 CB GLU A 43 11.070 -2.197 -0.638 1.00 0.00 C ATOM 660 CG GLU A 43 10.819 -3.702 -0.863 1.00 0.00 C ATOM 661 CD GLU A 43 12.099 -4.528 -1.024 1.00 0.00 C ATOM 662 OE1 GLU A 43 12.744 -4.420 -2.083 1.00 0.00 O ATOM 663 OE2 GLU A 43 12.380 -5.390 -0.142 1.00 0.00 O ATOM 0 H GLU A 43 9.248 -1.956 1.110 1.00 0.00 H new ATOM 0 HA GLU A 43 12.170 -2.306 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.217 -1.642 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.940 -1.900 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.248 -4.095 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.202 -3.828 -1.753 1.00 0.00 H new ATOM 670 N GLU A 44 12.778 0.163 0.718 1.00 0.00 N ATOM 671 CA GLU A 44 13.195 1.557 0.664 1.00 0.00 C ATOM 672 C GLU A 44 12.761 2.194 -0.647 1.00 0.00 C ATOM 673 O GLU A 44 12.711 1.522 -1.681 1.00 0.00 O ATOM 674 CB GLU A 44 14.724 1.590 0.754 1.00 0.00 C ATOM 675 CG GLU A 44 15.224 1.048 2.098 1.00 0.00 C ATOM 676 CD GLU A 44 16.418 0.116 1.978 1.00 0.00 C ATOM 677 OE1 GLU A 44 17.384 0.451 1.258 1.00 0.00 O ATOM 678 OE2 GLU A 44 16.377 -0.965 2.618 1.00 0.00 O ATOM 0 H GLU A 44 13.556 -0.484 0.593 1.00 0.00 H new ATOM 0 HA GLU A 44 12.739 2.111 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.149 1.000 -0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.075 2.614 0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.493 1.887 2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.409 0.518 2.591 1.00 0.00 H new ATOM 685 N ASN A 45 12.477 3.498 -0.615 1.00 0.00 N ATOM 686 CA ASN A 45 11.914 4.193 -1.763 1.00 0.00 C ATOM 687 C ASN A 45 13.011 4.792 -2.621 1.00 0.00 C ATOM 688 O ASN A 45 13.658 5.741 -2.171 1.00 0.00 O ATOM 689 CB ASN A 45 10.956 5.297 -1.316 1.00 0.00 C ATOM 690 CG ASN A 45 9.575 4.764 -1.022 1.00 0.00 C ATOM 691 OD1 ASN A 45 9.331 3.567 -1.052 1.00 0.00 O ATOM 692 ND2 ASN A 45 8.627 5.644 -0.794 1.00 0.00 N ATOM 0 H ASN A 45 12.631 4.092 0.200 1.00 0.00 H new ATOM 0 HA ASN A 45 11.361 3.461 -2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.354 5.783 -0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.893 6.058 -2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.668 5.332 -0.638 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.849 6.639 -0.773 1.00 0.00 H new ATOM 699 N PRO A 46 13.196 4.339 -3.870 1.00 0.00 N ATOM 700 CA PRO A 46 14.256 4.846 -4.723 1.00 0.00 C ATOM 701 C PRO A 46 14.051 6.323 -5.105 1.00 0.00 C ATOM 702 O PRO A 46 15.030 7.007 -5.405 1.00 0.00 O ATOM 703 CB PRO A 46 14.290 3.901 -5.930 1.00 0.00 C ATOM 704 CG PRO A 46 12.890 3.286 -5.975 1.00 0.00 C ATOM 705 CD PRO A 46 12.471 3.254 -4.513 1.00 0.00 C ATOM 0 HA PRO A 46 15.218 4.853 -4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.516 4.440 -6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.056 3.135 -5.813 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.207 3.886 -6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.904 2.287 -6.411 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.394 3.389 -4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 46 12.716 2.295 -4.057 1.00 0.00 H new ATOM 713 N LEU A 47 12.830 6.872 -5.051 1.00 0.00 N ATOM 714 CA LEU A 47 12.579 8.278 -5.379 1.00 0.00 C ATOM 715 C LEU A 47 11.898 9.002 -4.213 1.00 0.00 C ATOM 716 O LEU A 47 11.077 9.891 -4.452 1.00 0.00 O ATOM 717 CB LEU A 47 11.689 8.421 -6.625 1.00 0.00 C ATOM 718 CG LEU A 47 12.109 7.883 -7.995 1.00 0.00 C ATOM 719 CD1 LEU A 47 13.542 8.257 -8.345 1.00 0.00 C ATOM 720 CD2 LEU A 47 11.871 6.389 -8.184 1.00 0.00 C ATOM 0 H LEU A 47 11.993 6.355 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 47 13.552 8.728 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.735 7.952 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.498 9.486 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 47 11.443 8.381 -8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.794 7.853 -9.326 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.641 9.342 -8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.219 7.844 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.196 6.092 -9.181 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.437 5.833 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.809 6.172 -8.069 1.00 0.00 H new ATOM 732 N ALA A 48 12.266 8.724 -2.963 1.00 0.00 N ATOM 733 CA ALA A 48 11.727 9.454 -1.819 1.00 0.00 C ATOM 734 C ALA A 48 11.899 10.966 -2.011 1.00 0.00 C ATOM 735 O ALA A 48 10.932 11.731 -1.936 1.00 0.00 O ATOM 736 CB ALA A 48 12.437 8.982 -0.551 1.00 0.00 C ATOM 0 H ALA A 48 12.937 7.996 -2.718 1.00 0.00 H new ATOM 0 HA ALA A 48 10.659 9.254 -1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.042 9.521 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.270 7.913 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.506 9.174 -0.640 1.00 0.00 H new ATOM 742 N GLN A 49 13.119 11.386 -2.339 1.00 0.00 N ATOM 743 CA GLN A 49 13.516 12.790 -2.486 1.00 0.00 C ATOM 744 C GLN A 49 14.753 12.906 -3.388 1.00 0.00 C ATOM 745 O GLN A 49 15.530 13.844 -3.251 1.00 0.00 O ATOM 746 CB GLN A 49 13.719 13.452 -1.096 1.00 0.00 C ATOM 747 CG GLN A 49 12.433 14.084 -0.520 1.00 0.00 C ATOM 748 CD GLN A 49 12.700 15.448 0.120 1.00 0.00 C ATOM 749 OE1 GLN A 49 13.011 16.416 -0.574 1.00 0.00 O ATOM 750 NE2 GLN A 49 12.547 15.604 1.424 1.00 0.00 N ATOM 0 H GLN A 49 13.887 10.738 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 49 12.713 13.339 -2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.091 12.703 -0.397 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.487 14.221 -1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.696 14.195 -1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.001 13.413 0.223 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.289 14.807 2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.687 16.521 1.848 1.00 0.00 H new ATOM 759 N ASP A 50 14.944 11.987 -4.334 1.00 0.00 N ATOM 760 CA ASP A 50 16.127 12.021 -5.194 1.00 0.00 C ATOM 761 C ASP A 50 15.847 12.906 -6.401 1.00 0.00 C ATOM 762 O ASP A 50 16.336 14.028 -6.506 1.00 0.00 O ATOM 763 CB ASP A 50 16.565 10.624 -5.643 1.00 0.00 C ATOM 764 CG ASP A 50 17.748 10.801 -6.587 1.00 0.00 C ATOM 765 OD1 ASP A 50 18.845 11.092 -6.089 1.00 0.00 O ATOM 766 OD2 ASP A 50 17.553 10.758 -7.834 1.00 0.00 O ATOM 0 H ASP A 50 14.302 11.217 -4.524 1.00 0.00 H new ATOM 0 HA ASP A 50 16.951 12.434 -4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.847 10.015 -4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.747 10.108 -6.145 1.00 0.00 H new ATOM 771 N HIS A 51 15.011 12.414 -7.316 1.00 0.00 N ATOM 772 CA HIS A 51 14.652 13.153 -8.517 1.00 0.00 C ATOM 773 C HIS A 51 13.843 14.406 -8.195 1.00 0.00 C ATOM 774 O HIS A 51 13.796 15.301 -9.029 1.00 0.00 O ATOM 775 CB HIS A 51 13.928 12.236 -9.505 1.00 0.00 C ATOM 776 CG HIS A 51 14.812 11.819 -10.648 1.00 0.00 C ATOM 777 ND1 HIS A 51 15.289 12.658 -11.640 1.00 0.00 N ATOM 778 CD2 HIS A 51 15.359 10.579 -10.833 1.00 0.00 C ATOM 779 CE1 HIS A 51 16.092 11.920 -12.426 1.00 0.00 C ATOM 780 NE2 HIS A 51 16.153 10.660 -11.961 1.00 0.00 N ATOM 0 H HIS A 51 14.569 11.498 -7.243 1.00 0.00 H new ATOM 0 HA HIS A 51 15.570 13.500 -8.991 1.00 0.00 H new ATOM 0 HB2 HIS A 51 13.573 11.349 -8.981 1.00 0.00 H new ATOM 0 HB3 HIS A 51 13.049 12.748 -9.896 1.00 0.00 H new ATOM 0 HD2 HIS A 51 15.201 9.706 -10.217 1.00 0.00 H new ATOM 0 HE1 HIS A 51 16.611 12.285 -13.300 1.00 0.00 H new ATOM 0 HE2 HIS A 51 16.692 9.896 -12.370 1.00 0.00 H new ATOM 789 N VAL A 52 13.170 14.440 -7.039 1.00 0.00 N ATOM 790 CA VAL A 52 12.254 15.491 -6.595 1.00 0.00 C ATOM 791 C VAL A 52 11.416 15.984 -7.797 1.00 0.00 C ATOM 792 O VAL A 52 11.419 17.163 -8.155 1.00 0.00 O ATOM 793 CB VAL A 52 13.033 16.603 -5.841 1.00 0.00 C ATOM 794 CG1 VAL A 52 12.089 17.611 -5.170 1.00 0.00 C ATOM 795 CG2 VAL A 52 13.902 16.032 -4.711 1.00 0.00 C ATOM 0 H VAL A 52 13.257 13.692 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 52 11.539 15.105 -5.868 1.00 0.00 H new ATOM 0 HB VAL A 52 13.645 17.082 -6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.676 18.371 -4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.466 18.086 -5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.455 17.093 -4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.429 16.845 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.269 15.513 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.626 15.332 -5.127 1.00 0.00 H new ATOM 805 N HIS A 53 10.780 15.047 -8.509 1.00 0.00 N ATOM 806 CA HIS A 53 10.199 15.290 -9.830 1.00 0.00 C ATOM 807 C HIS A 53 9.030 14.349 -10.058 1.00 0.00 C ATOM 808 O HIS A 53 7.911 14.792 -10.310 1.00 0.00 O ATOM 809 CB HIS A 53 11.283 15.160 -10.928 1.00 0.00 C ATOM 810 CG HIS A 53 10.787 14.883 -12.330 1.00 0.00 C ATOM 811 ND1 HIS A 53 9.824 15.600 -13.013 1.00 0.00 N ATOM 812 CD2 HIS A 53 11.229 13.881 -13.153 1.00 0.00 C ATOM 813 CE1 HIS A 53 9.660 15.020 -14.218 1.00 0.00 C ATOM 814 NE2 HIS A 53 10.506 13.977 -14.328 1.00 0.00 N ATOM 0 H HIS A 53 10.654 14.090 -8.179 1.00 0.00 H new ATOM 0 HA HIS A 53 9.816 16.309 -9.881 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.864 16.082 -10.946 1.00 0.00 H new ATOM 0 HB3 HIS A 53 11.965 14.360 -10.642 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.996 13.155 -12.927 1.00 0.00 H new ATOM 0 HE1 HIS A 53 8.961 15.340 -14.976 1.00 0.00 H new ATOM 0 HE2 HIS A 53 10.597 13.364 -15.138 1.00 0.00 H new ATOM 823 N GLY A 54 9.276 13.047 -9.981 1.00 0.00 N ATOM 824 CA GLY A 54 8.305 12.034 -10.329 1.00 0.00 C ATOM 825 C GLY A 54 8.917 10.680 -10.034 1.00 0.00 C ATOM 826 O GLY A 54 9.614 10.540 -9.026 1.00 0.00 O ATOM 0 H GLY A 54 10.170 12.667 -9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.388 12.171 -9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.036 12.110 -11.383 1.00 0.00 H new ATOM 830 N ALA A 55 8.631 9.700 -10.895 1.00 0.00 N ATOM 831 CA ALA A 55 9.105 8.315 -10.936 1.00 0.00 C ATOM 832 C ALA A 55 8.846 7.460 -9.688 1.00 0.00 C ATOM 833 O ALA A 55 8.829 6.234 -9.811 1.00 0.00 O ATOM 834 CB ALA A 55 10.557 8.268 -11.398 1.00 0.00 C ATOM 0 H ALA A 55 7.989 9.879 -11.667 1.00 0.00 H new ATOM 0 HA ALA A 55 8.473 7.823 -11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.897 7.233 -11.424 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.636 8.701 -12.395 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.178 8.837 -10.705 1.00 0.00 H new ATOM 840 N VAL A 56 8.489 8.071 -8.554 1.00 0.00 N ATOM 841 CA VAL A 56 7.924 7.441 -7.366 1.00 0.00 C ATOM 842 C VAL A 56 6.845 6.423 -7.787 1.00 0.00 C ATOM 843 O VAL A 56 6.915 5.275 -7.359 1.00 0.00 O ATOM 844 CB VAL A 56 7.340 8.533 -6.421 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.107 8.114 -5.606 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.394 9.128 -5.501 1.00 0.00 C ATOM 0 H VAL A 56 8.595 9.079 -8.438 1.00 0.00 H new ATOM 0 HA VAL A 56 8.702 6.906 -6.822 1.00 0.00 H new ATOM 0 HB VAL A 56 6.991 9.297 -7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.782 8.947 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.301 7.833 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.361 7.264 -4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.935 9.884 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.822 8.341 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.181 9.587 -6.099 1.00 0.00 H new ATOM 856 N PRO A 57 5.823 6.796 -8.596 1.00 0.00 N ATOM 857 CA PRO A 57 4.766 5.854 -8.932 1.00 0.00 C ATOM 858 C PRO A 57 5.240 4.849 -9.973 1.00 0.00 C ATOM 859 O PRO A 57 4.762 3.726 -9.987 1.00 0.00 O ATOM 860 CB PRO A 57 3.646 6.691 -9.528 1.00 0.00 C ATOM 861 CG PRO A 57 4.327 7.929 -10.099 1.00 0.00 C ATOM 862 CD PRO A 57 5.638 8.049 -9.330 1.00 0.00 C ATOM 0 HA PRO A 57 4.452 5.293 -8.051 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.115 6.141 -10.305 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.911 6.961 -8.770 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.506 7.823 -11.169 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.709 8.817 -9.965 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.470 8.222 -10.012 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.606 8.896 -8.644 1.00 0.00 H new ATOM 870 N ASN A 58 6.157 5.260 -10.850 1.00 0.00 N ATOM 871 CA ASN A 58 6.649 4.425 -11.932 1.00 0.00 C ATOM 872 C ASN A 58 7.410 3.217 -11.370 1.00 0.00 C ATOM 873 O ASN A 58 7.492 2.171 -12.007 1.00 0.00 O ATOM 874 CB ASN A 58 7.509 5.280 -12.874 1.00 0.00 C ATOM 875 CG ASN A 58 7.386 4.796 -14.308 1.00 0.00 C ATOM 876 OD1 ASN A 58 7.744 3.675 -14.638 1.00 0.00 O ATOM 877 ND2 ASN A 58 6.872 5.639 -15.187 1.00 0.00 N ATOM 0 H ASN A 58 6.578 6.189 -10.824 1.00 0.00 H new ATOM 0 HA ASN A 58 5.816 4.025 -12.510 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.199 6.323 -12.810 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.552 5.238 -12.560 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.768 5.358 -16.162 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.580 6.570 -14.890 1.00 0.00 H new ATOM 884 N PHE A 59 7.943 3.363 -10.151 1.00 0.00 N ATOM 885 CA PHE A 59 8.363 2.264 -9.301 1.00 0.00 C ATOM 886 C PHE A 59 7.129 1.490 -8.817 1.00 0.00 C ATOM 887 O PHE A 59 6.893 0.400 -9.310 1.00 0.00 O ATOM 888 CB PHE A 59 9.241 2.810 -8.166 1.00 0.00 C ATOM 889 CG PHE A 59 9.432 1.868 -6.997 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.140 0.664 -7.168 1.00 0.00 C ATOM 891 CD2 PHE A 59 8.891 2.192 -5.738 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.356 -0.191 -6.074 1.00 0.00 C ATOM 893 CE2 PHE A 59 9.109 1.327 -4.650 1.00 0.00 C ATOM 894 CZ PHE A 59 9.849 0.147 -4.811 1.00 0.00 C ATOM 0 H PHE A 59 8.094 4.278 -9.725 1.00 0.00 H new ATOM 0 HA PHE A 59 8.975 1.550 -9.852 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.220 3.063 -8.573 1.00 0.00 H new ATOM 0 HB3 PHE A 59 8.800 3.736 -7.799 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.519 0.396 -8.143 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.314 3.096 -5.609 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.912 -1.108 -6.206 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.702 1.575 -3.681 1.00 0.00 H new ATOM 0 HZ PHE A 59 10.028 -0.500 -3.965 1.00 0.00 H new ATOM 904 N VAL A 60 6.315 2.008 -7.889 1.00 0.00 N ATOM 905 CA VAL A 60 5.292 1.179 -7.227 1.00 0.00 C ATOM 906 C VAL A 60 4.252 0.536 -8.150 1.00 0.00 C ATOM 907 O VAL A 60 3.735 -0.519 -7.794 1.00 0.00 O ATOM 908 CB VAL A 60 4.543 1.951 -6.134 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.374 2.118 -4.854 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.081 3.331 -6.577 1.00 0.00 C ATOM 0 H VAL A 60 6.340 2.980 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 60 5.885 0.369 -6.802 1.00 0.00 H new ATOM 0 HB VAL A 60 3.668 1.334 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.796 2.671 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.629 1.136 -4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.289 2.665 -5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.559 3.821 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.946 3.929 -6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.407 3.233 -7.428 1.00 0.00 H new ATOM 920 N LYS A 61 3.919 1.130 -9.301 1.00 0.00 N ATOM 921 CA LYS A 61 3.037 0.474 -10.263 1.00 0.00 C ATOM 922 C LYS A 61 3.663 -0.849 -10.681 1.00 0.00 C ATOM 923 O LYS A 61 2.986 -1.866 -10.736 1.00 0.00 O ATOM 924 CB LYS A 61 2.803 1.340 -11.503 1.00 0.00 C ATOM 925 CG LYS A 61 1.886 2.563 -11.301 1.00 0.00 C ATOM 926 CD LYS A 61 1.802 3.366 -12.601 1.00 0.00 C ATOM 927 CE LYS A 61 1.129 2.563 -13.728 1.00 0.00 C ATOM 928 NZ LYS A 61 2.057 2.187 -14.819 1.00 0.00 N ATOM 0 H LYS A 61 4.245 2.054 -9.584 1.00 0.00 H new ATOM 0 HA LYS A 61 2.071 0.311 -9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.769 1.690 -11.867 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.375 0.713 -12.286 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.891 2.237 -10.999 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.273 3.191 -10.499 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.242 4.284 -12.425 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.805 3.659 -12.912 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.690 1.659 -13.307 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.311 3.151 -14.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.541 1.649 -15.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.458 3.047 -15.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.825 1.601 -14.435 1.00 0.00 H new ATOM 942 N GLU A 62 4.970 -0.843 -10.922 1.00 0.00 N ATOM 943 CA GLU A 62 5.718 -2.013 -11.332 1.00 0.00 C ATOM 944 C GLU A 62 5.668 -3.134 -10.291 1.00 0.00 C ATOM 945 O GLU A 62 5.947 -4.285 -10.635 1.00 0.00 O ATOM 946 CB GLU A 62 7.147 -1.594 -11.715 1.00 0.00 C ATOM 947 CG GLU A 62 8.298 -1.879 -10.717 1.00 0.00 C ATOM 948 CD GLU A 62 9.365 -2.870 -11.205 1.00 0.00 C ATOM 949 OE1 GLU A 62 9.254 -3.477 -12.288 1.00 0.00 O ATOM 950 OE2 GLU A 62 10.448 -2.879 -10.558 1.00 0.00 O ATOM 0 H GLU A 62 5.545 -0.005 -10.834 1.00 0.00 H new ATOM 0 HA GLU A 62 5.248 -2.444 -12.216 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.395 -2.086 -12.655 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.136 -0.522 -11.910 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.787 -0.936 -10.474 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.867 -2.262 -9.792 1.00 0.00 H new ATOM 957 N LYS A 63 5.301 -2.833 -9.035 1.00 0.00 N ATOM 958 CA LYS A 63 5.312 -3.815 -7.951 1.00 0.00 C ATOM 959 C LYS A 63 3.986 -4.583 -7.931 1.00 0.00 C ATOM 960 O LYS A 63 3.498 -4.963 -6.863 1.00 0.00 O ATOM 961 CB LYS A 63 5.558 -3.091 -6.613 1.00 0.00 C ATOM 962 CG LYS A 63 6.790 -2.168 -6.606 1.00 0.00 C ATOM 963 CD LYS A 63 8.134 -2.875 -6.787 1.00 0.00 C ATOM 964 CE LYS A 63 8.545 -3.581 -5.494 1.00 0.00 C ATOM 965 NZ LYS A 63 9.928 -4.094 -5.562 1.00 0.00 N ATOM 0 H LYS A 63 4.990 -1.905 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 63 6.115 -4.535 -8.109 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.676 -2.501 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.673 -3.837 -5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.676 -1.430 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.809 -1.621 -5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.064 -3.600 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.897 -2.151 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.456 -2.888 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.861 -4.407 -5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.168 -4.565 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.008 -4.775 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.584 -3.303 -5.723 1.00 0.00 H new ATOM 979 N GLY A 64 3.443 -4.867 -9.119 1.00 0.00 N ATOM 980 CA GLY A 64 2.161 -5.492 -9.407 1.00 0.00 C ATOM 981 C GLY A 64 1.076 -5.244 -8.359 1.00 0.00 C ATOM 982 O GLY A 64 0.425 -6.218 -7.968 1.00 0.00 O ATOM 0 H GLY A 64 3.942 -4.641 -9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.805 -5.129 -10.371 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.311 -6.567 -9.506 1.00 0.00 H new ATOM 986 N ALA A 65 0.917 -4.005 -7.867 1.00 0.00 N ATOM 987 CA ALA A 65 0.024 -3.713 -6.753 1.00 0.00 C ATOM 988 C ALA A 65 -1.463 -3.756 -7.129 1.00 0.00 C ATOM 989 O ALA A 65 -1.814 -3.896 -8.298 1.00 0.00 O ATOM 990 CB ALA A 65 0.403 -2.361 -6.162 1.00 0.00 C ATOM 0 H ALA A 65 1.404 -3.187 -8.233 1.00 0.00 H new ATOM 0 HA ALA A 65 0.152 -4.500 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.258 -2.131 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.434 -2.394 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.305 -1.590 -6.926 1.00 0.00 H new ATOM 996 N GLU A 66 -2.345 -3.612 -6.129 1.00 0.00 N ATOM 997 CA GLU A 66 -3.799 -3.639 -6.308 1.00 0.00 C ATOM 998 C GLU A 66 -4.519 -2.680 -5.350 1.00 0.00 C ATOM 999 O GLU A 66 -5.600 -2.202 -5.682 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.316 -5.069 -6.115 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.509 -5.797 -7.447 1.00 0.00 C ATOM 1002 CD GLU A 66 -4.772 -7.283 -7.225 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -5.931 -7.672 -6.968 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -3.801 -8.076 -7.245 1.00 0.00 O ATOM 0 H GLU A 66 -2.061 -3.472 -5.159 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.015 -3.302 -7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.614 -5.627 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.263 -5.042 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.344 -5.354 -7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.622 -5.670 -8.067 1.00 0.00 H new ATOM 1011 N LEU A 67 -3.951 -2.395 -4.172 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.591 -1.612 -3.118 1.00 0.00 C ATOM 1013 C LEU A 67 -3.537 -0.724 -2.452 1.00 0.00 C ATOM 1014 O LEU A 67 -2.338 -1.015 -2.515 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.252 -2.606 -2.139 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.357 -2.153 -1.164 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -5.918 -1.258 -0.006 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -7.561 -1.531 -1.869 1.00 0.00 C ATOM 0 H LEU A 67 -3.014 -2.711 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.365 -0.948 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.670 -3.414 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.453 -3.037 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.649 -3.099 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.783 -1.007 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.182 -1.784 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.476 -0.343 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.303 -1.233 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.240 -0.655 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.001 -2.260 -2.550 1.00 0.00 H new ATOM 1030 N VAL A 68 -3.960 0.357 -1.806 1.00 0.00 N ATOM 1031 CA VAL A 68 -3.109 1.361 -1.170 1.00 0.00 C ATOM 1032 C VAL A 68 -3.905 1.946 0.001 1.00 0.00 C ATOM 1033 O VAL A 68 -5.115 2.126 -0.129 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.748 2.488 -2.172 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.468 3.244 -1.795 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -2.568 2.026 -3.620 1.00 0.00 C ATOM 0 H VAL A 68 -4.953 0.569 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.177 0.909 -0.830 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.621 3.138 -2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.271 4.019 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.592 3.703 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.629 2.548 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.318 2.882 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.764 1.292 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.494 1.575 -3.976 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.251 2.268 1.116 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.822 2.923 2.284 1.00 0.00 C ATOM 1048 C ILE A 69 -2.865 4.065 2.629 1.00 0.00 C ATOM 1049 O ILE A 69 -1.705 3.825 2.965 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.029 1.935 3.456 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -4.917 0.725 3.067 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.638 2.697 4.647 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -4.870 -0.437 4.068 1.00 0.00 C ATOM 0 H ILE A 69 -2.258 2.067 1.231 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.821 3.309 2.080 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.057 1.524 3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.949 1.063 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.606 0.360 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.789 2.010 5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.961 3.495 4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.596 3.126 4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.518 -1.242 3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.847 -0.805 4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.211 -0.091 5.044 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.316 5.310 2.481 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.500 6.512 2.618 1.00 0.00 C ATOM 1067 C VAL A 70 -3.152 7.493 3.605 1.00 0.00 C ATOM 1068 O VAL A 70 -4.189 7.191 4.202 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.205 7.112 1.221 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.605 6.067 0.267 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.429 7.739 0.540 1.00 0.00 C ATOM 0 H VAL A 70 -4.290 5.514 2.256 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.530 6.265 3.050 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.485 7.906 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.412 6.527 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.670 5.690 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.306 5.242 0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.140 8.137 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.200 6.980 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.817 8.546 1.161 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.547 8.670 3.792 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.119 9.741 4.605 1.00 0.00 C ATOM 1083 C ARG A 71 -3.675 10.805 3.654 1.00 0.00 C ATOM 1084 O ARG A 71 -4.714 10.546 3.061 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.118 10.186 5.690 1.00 0.00 C ATOM 1086 CG ARG A 71 -2.796 10.889 6.881 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.313 10.357 8.244 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.266 10.732 9.297 1.00 0.00 N ATOM 1089 CZ ARG A 71 -3.292 11.823 10.065 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -2.277 12.685 10.090 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -4.359 12.024 10.826 1.00 0.00 N ATOM 0 H ARG A 71 -1.643 8.905 3.381 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.974 9.425 5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.572 9.315 6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.385 10.860 5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.600 11.960 6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.876 10.758 6.807 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.210 9.273 8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.327 10.762 8.473 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.016 10.062 9.466 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.453 12.519 9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.324 13.511 10.687 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.128 11.354 10.813 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.410 12.848 11.425 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.976 11.925 3.405 1.00 0.00 N ATOM 1106 CA GLY A 72 -3.542 13.035 2.628 1.00 0.00 C ATOM 1107 C GLY A 72 -3.180 13.029 1.138 1.00 0.00 C ATOM 1108 O GLY A 72 -3.851 13.687 0.341 1.00 0.00 O ATOM 0 H GLY A 72 -2.022 12.083 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.628 13.010 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.205 13.975 3.065 1.00 0.00 H new ATOM 1112 N ILE A 73 -2.130 12.293 0.746 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.623 12.137 -0.622 1.00 0.00 C ATOM 1114 C ILE A 73 -1.623 13.468 -1.418 1.00 0.00 C ATOM 1115 O ILE A 73 -1.174 14.484 -0.878 1.00 0.00 O ATOM 1116 CB ILE A 73 -2.278 10.878 -1.264 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.579 10.428 -2.564 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.800 10.958 -1.495 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.628 8.907 -2.747 1.00 0.00 C ATOM 0 H ILE A 73 -1.579 11.759 1.418 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.555 11.919 -0.632 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.127 10.122 -0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.055 10.911 -3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.540 10.758 -2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.149 10.029 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.305 11.111 -0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.024 11.791 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.124 8.636 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.128 8.423 -1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.667 8.579 -2.789 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.970 13.453 -2.707 1.00 0.00 N ATOM 1132 CA GLY A 74 -2.078 14.610 -3.607 1.00 0.00 C ATOM 1133 C GLY A 74 -3.096 14.312 -4.719 1.00 0.00 C ATOM 1134 O GLY A 74 -4.122 13.705 -4.437 1.00 0.00 O ATOM 0 H GLY A 74 -2.198 12.580 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.387 15.492 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.105 14.835 -4.043 1.00 0.00 H new ATOM 1138 N ARG A 75 -2.813 14.699 -5.976 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.499 14.199 -7.185 1.00 0.00 C ATOM 1140 C ARG A 75 -2.515 13.509 -8.134 1.00 0.00 C ATOM 1141 O ARG A 75 -2.873 12.526 -8.775 1.00 0.00 O ATOM 1142 CB ARG A 75 -4.295 15.326 -7.871 1.00 0.00 C ATOM 1143 CG ARG A 75 -4.875 15.026 -9.280 1.00 0.00 C ATOM 1144 CD ARG A 75 -6.016 13.995 -9.334 1.00 0.00 C ATOM 1145 NE ARG A 75 -7.306 14.607 -9.722 1.00 0.00 N ATOM 1146 CZ ARG A 75 -7.913 14.569 -10.924 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -7.314 14.055 -11.994 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -9.142 15.057 -11.063 1.00 0.00 N ATOM 0 H ARG A 75 -2.086 15.383 -6.186 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.222 13.441 -6.883 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.122 15.603 -7.217 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.646 16.198 -7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.236 15.961 -9.709 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.064 14.675 -9.918 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.760 13.210 -10.045 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.120 13.520 -8.359 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.796 15.121 -8.989 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.370 13.676 -11.917 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.798 14.040 -12.892 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.625 15.460 -10.260 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.602 15.029 -11.973 1.00 0.00 H new ATOM 1162 N ARG A 76 -1.250 13.927 -8.192 1.00 0.00 N ATOM 1163 CA ARG A 76 -0.258 13.277 -9.056 1.00 0.00 C ATOM 1164 C ARG A 76 -0.122 11.780 -8.792 1.00 0.00 C ATOM 1165 O ARG A 76 0.093 11.016 -9.731 1.00 0.00 O ATOM 1166 CB ARG A 76 1.096 13.984 -8.974 1.00 0.00 C ATOM 1167 CG ARG A 76 1.709 13.914 -7.562 1.00 0.00 C ATOM 1168 CD ARG A 76 2.457 15.200 -7.198 1.00 0.00 C ATOM 1169 NE ARG A 76 3.924 15.111 -7.296 1.00 0.00 N ATOM 1170 CZ ARG A 76 4.736 15.903 -8.011 1.00 0.00 C ATOM 1171 NH1 ARG A 76 4.243 16.785 -8.877 1.00 0.00 N ATOM 1172 NH2 ARG A 76 6.049 15.810 -7.826 1.00 0.00 N ATOM 0 H ARG A 76 -0.886 14.712 -7.652 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.631 13.372 -10.076 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.783 13.531 -9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.976 15.028 -9.264 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.919 13.735 -6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.394 13.068 -7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.111 16.002 -7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.192 15.482 -6.179 1.00 0.00 H new ATOM 0 HE ARG A 76 4.371 14.366 -6.762 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.234 16.866 -9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.874 17.380 -9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.423 15.144 -7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.683 16.404 -8.361 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.221 11.353 -7.529 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.110 9.941 -7.207 1.00 0.00 C ATOM 1188 C ALA A 77 -1.402 9.182 -7.489 1.00 0.00 C ATOM 1189 O ALA A 77 -1.321 8.017 -7.856 1.00 0.00 O ATOM 1190 CB ALA A 77 0.300 9.749 -5.756 1.00 0.00 C ATOM 0 H ALA A 77 -0.376 11.963 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 77 0.664 9.529 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.377 8.684 -5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.265 10.225 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.448 10.200 -5.104 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.570 9.821 -7.349 1.00 0.00 N ATOM 1197 CA ILE A 78 -3.860 9.261 -7.715 1.00 0.00 C ATOM 1198 C ILE A 78 -3.744 8.747 -9.150 1.00 0.00 C ATOM 1199 O ILE A 78 -4.077 7.596 -9.407 1.00 0.00 O ATOM 1200 CB ILE A 78 -4.958 10.340 -7.548 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.372 10.517 -6.086 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.229 10.042 -8.339 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -4.250 10.761 -5.082 1.00 0.00 C ATOM 0 H ILE A 78 -2.637 10.765 -6.968 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.144 8.430 -7.070 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.496 11.249 -7.934 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.068 11.354 -6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.918 9.626 -5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.955 10.839 -8.175 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.991 9.981 -9.401 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.651 9.093 -8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.673 10.870 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.561 9.917 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.714 11.671 -5.350 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.194 9.561 -10.061 1.00 0.00 N ATOM 1216 CA ALA A 79 -3.072 9.207 -11.469 1.00 0.00 C ATOM 1217 C ALA A 79 -2.167 7.997 -11.738 1.00 0.00 C ATOM 1218 O ALA A 79 -2.144 7.527 -12.871 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.494 10.408 -12.215 1.00 0.00 C ATOM 0 H ALA A 79 -2.822 10.484 -9.835 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.071 8.935 -11.811 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.394 10.165 -13.273 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.161 11.263 -12.100 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.515 10.654 -11.805 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.377 7.529 -10.766 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.616 6.299 -10.904 1.00 0.00 C ATOM 1227 C ALA A 80 -1.536 5.112 -10.699 1.00 0.00 C ATOM 1228 O ALA A 80 -1.677 4.266 -11.572 1.00 0.00 O ATOM 1229 CB ALA A 80 0.501 6.269 -9.865 1.00 0.00 C ATOM 0 H ALA A 80 -1.252 7.996 -9.868 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.180 6.251 -11.902 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.071 5.346 -9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.162 7.122 -10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.069 6.317 -8.865 1.00 0.00 H new ATOM 1235 N PHE A 81 -2.157 5.056 -9.528 1.00 0.00 N ATOM 1236 CA PHE A 81 -3.072 4.025 -9.140 1.00 0.00 C ATOM 1237 C PHE A 81 -4.239 3.963 -10.123 1.00 0.00 C ATOM 1238 O PHE A 81 -4.599 2.883 -10.583 1.00 0.00 O ATOM 1239 CB PHE A 81 -3.495 4.347 -7.704 1.00 0.00 C ATOM 1240 CG PHE A 81 -2.361 4.531 -6.708 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -1.232 3.685 -6.730 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -2.467 5.524 -5.716 1.00 0.00 C ATOM 1243 CE1 PHE A 81 -0.224 3.825 -5.763 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -1.468 5.651 -4.738 1.00 0.00 C ATOM 1245 CZ PHE A 81 -0.352 4.799 -4.760 1.00 0.00 C ATOM 0 H PHE A 81 -2.022 5.762 -8.804 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.624 3.032 -9.166 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.094 5.258 -7.717 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.141 3.545 -7.347 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.143 2.927 -7.494 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.318 6.189 -5.707 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.646 3.186 -5.791 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.558 6.404 -3.969 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.411 4.893 -4.002 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.769 5.112 -10.540 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.850 5.178 -11.510 1.00 0.00 C ATOM 1257 C GLU A 82 -5.433 4.659 -12.890 1.00 0.00 C ATOM 1258 O GLU A 82 -6.318 4.231 -13.631 1.00 0.00 O ATOM 1259 CB GLU A 82 -6.395 6.614 -11.586 1.00 0.00 C ATOM 1260 CG GLU A 82 -7.355 6.899 -10.417 1.00 0.00 C ATOM 1261 CD GLU A 82 -8.398 7.954 -10.777 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -9.406 7.607 -11.438 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -8.245 9.141 -10.406 1.00 0.00 O ATOM 0 H GLU A 82 -4.456 6.025 -10.210 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.646 4.516 -11.169 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.567 7.323 -11.564 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.915 6.761 -12.533 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.858 5.976 -10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.783 7.235 -9.552 1.00 0.00 H new ATOM 1270 N ALA A 83 -4.133 4.609 -13.219 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.666 4.020 -14.472 1.00 0.00 C ATOM 1272 C ALA A 83 -3.709 2.491 -14.444 1.00 0.00 C ATOM 1273 O ALA A 83 -3.462 1.844 -15.464 1.00 0.00 O ATOM 1274 CB ALA A 83 -2.226 4.451 -14.725 1.00 0.00 C ATOM 0 H ALA A 83 -3.387 4.973 -12.627 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.331 4.369 -15.262 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.874 4.013 -15.659 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.178 5.538 -14.793 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.595 4.110 -13.904 1.00 0.00 H new ATOM 1280 N MET A 84 -3.967 1.892 -13.283 1.00 0.00 N ATOM 1281 CA MET A 84 -4.091 0.450 -13.119 1.00 0.00 C ATOM 1282 C MET A 84 -5.404 0.050 -12.443 1.00 0.00 C ATOM 1283 O MET A 84 -5.716 -1.136 -12.414 1.00 0.00 O ATOM 1284 CB MET A 84 -2.841 -0.146 -12.448 1.00 0.00 C ATOM 1285 CG MET A 84 -2.052 0.784 -11.512 1.00 0.00 C ATOM 1286 SD MET A 84 -0.621 0.047 -10.665 1.00 0.00 S ATOM 1287 CE MET A 84 -0.048 -1.196 -11.850 1.00 0.00 C ATOM 0 H MET A 84 -4.098 2.409 -12.413 1.00 0.00 H new ATOM 0 HA MET A 84 -4.142 0.007 -14.113 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.146 -1.024 -11.878 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.167 -0.493 -13.231 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.704 1.638 -12.092 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.736 1.170 -10.756 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.789 -1.748 -11.422 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.861 -1.886 -12.075 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.274 -0.703 -12.767 1.00 0.00 H new ATOM 1297 N GLY A 85 -6.223 0.999 -11.978 1.00 0.00 N ATOM 1298 CA GLY A 85 -7.389 0.668 -11.170 1.00 0.00 C ATOM 1299 C GLY A 85 -6.980 0.198 -9.775 1.00 0.00 C ATOM 1300 O GLY A 85 -7.682 -0.600 -9.158 1.00 0.00 O ATOM 0 H GLY A 85 -6.096 1.997 -12.149 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.037 1.541 -11.087 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.967 -0.112 -11.664 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.840 0.676 -9.273 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.354 0.349 -7.944 1.00 0.00 C ATOM 1306 C VAL A 86 -6.157 1.211 -6.973 1.00 0.00 C ATOM 1307 O VAL A 86 -6.128 2.447 -7.072 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.818 0.552 -7.929 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.200 0.677 -6.535 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.179 -0.667 -8.598 1.00 0.00 C ATOM 0 H VAL A 86 -5.226 1.307 -9.788 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.501 -0.688 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.629 1.493 -8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.123 0.816 -6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.634 1.534 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.402 -0.230 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.095 -0.553 -8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.447 -1.567 -8.045 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.539 -0.750 -9.623 1.00 0.00 H new ATOM 1320 N LYS A 87 -6.964 0.602 -6.106 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.825 1.353 -5.201 1.00 0.00 C ATOM 1322 C LYS A 87 -6.970 1.994 -4.110 1.00 0.00 C ATOM 1323 O LYS A 87 -6.076 1.345 -3.571 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.933 0.444 -4.667 1.00 0.00 C ATOM 1325 CG LYS A 87 -9.761 1.111 -3.567 1.00 0.00 C ATOM 1326 CD LYS A 87 -11.146 0.484 -3.340 1.00 0.00 C ATOM 1327 CE LYS A 87 -11.079 -0.999 -2.955 1.00 0.00 C ATOM 1328 NZ LYS A 87 -11.113 -1.913 -4.119 1.00 0.00 N ATOM 0 H LYS A 87 -7.038 -0.411 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.328 2.167 -5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.590 0.157 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.490 -0.473 -4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.201 1.070 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.890 2.164 -3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.663 1.034 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.740 0.591 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.165 -1.178 -2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.914 -1.233 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.386 -2.866 -3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.805 -1.566 -4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.171 -1.950 -4.559 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.269 3.238 -3.746 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.445 4.036 -2.854 1.00 0.00 C ATOM 1344 C VAL A 88 -7.305 4.593 -1.722 1.00 0.00 C ATOM 1345 O VAL A 88 -7.922 5.653 -1.818 1.00 0.00 O ATOM 1346 CB VAL A 88 -5.611 5.057 -3.653 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -6.423 5.845 -4.695 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -4.835 5.997 -2.711 1.00 0.00 C ATOM 0 H VAL A 88 -8.105 3.724 -4.070 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.692 3.426 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.893 4.472 -4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.767 6.543 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.861 5.153 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.217 6.399 -4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.255 6.707 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.538 6.540 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.162 5.411 -2.085 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.326 3.836 -0.633 1.00 0.00 N ATOM 1359 CA ILE A 89 -7.887 4.202 0.653 1.00 0.00 C ATOM 1360 C ILE A 89 -6.974 5.261 1.269 1.00 0.00 C ATOM 1361 O ILE A 89 -5.766 5.263 1.035 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.021 2.902 1.468 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.111 2.056 0.767 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.322 3.125 2.958 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.322 0.685 1.374 1.00 0.00 C ATOM 0 H ILE A 89 -6.928 2.897 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.880 4.648 0.603 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.064 2.381 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.054 2.603 0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.844 1.938 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.401 2.161 3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.517 3.705 3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.262 3.667 3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.102 0.159 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.394 0.116 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.622 0.791 2.416 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.546 6.185 2.035 1.00 0.00 N ATOM 1378 CA LYS A 90 -6.932 7.467 2.370 1.00 0.00 C ATOM 1379 C LYS A 90 -7.519 7.982 3.675 1.00 0.00 C ATOM 1380 O LYS A 90 -8.457 7.387 4.201 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.154 8.456 1.210 1.00 0.00 C ATOM 1382 CG LYS A 90 -8.563 8.308 0.615 1.00 0.00 C ATOM 1383 CD LYS A 90 -8.954 9.439 -0.314 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.073 9.438 -1.551 1.00 0.00 C ATOM 1385 NZ LYS A 90 -8.719 10.147 -2.663 1.00 0.00 N ATOM 0 H LYS A 90 -8.470 6.061 2.450 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.857 7.351 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.012 9.476 1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.409 8.283 0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.620 7.366 0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.287 8.251 1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.999 9.334 -0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.861 10.393 0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.118 9.910 -1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.858 8.411 -1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.010 10.713 -3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.145 9.457 -3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.460 10.774 -2.291 1.00 0.00 H new ATOM 1399 N GLY A 91 -6.962 9.076 4.198 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.438 9.683 5.431 1.00 0.00 C ATOM 1401 C GLY A 91 -7.285 8.761 6.640 1.00 0.00 C ATOM 1402 O GLY A 91 -7.987 8.946 7.635 1.00 0.00 O ATOM 0 H GLY A 91 -6.170 9.561 3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.889 10.607 5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.488 9.954 5.316 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.436 7.733 6.547 1.00 0.00 N ATOM 1407 CA ALA A 92 -6.177 6.785 7.619 1.00 0.00 C ATOM 1408 C ALA A 92 -5.203 7.404 8.638 1.00 0.00 C ATOM 1409 O ALA A 92 -4.718 8.517 8.437 1.00 0.00 O ATOM 1410 CB ALA A 92 -5.633 5.508 6.969 1.00 0.00 C ATOM 0 H ALA A 92 -5.900 7.538 5.701 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.081 6.539 8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.424 4.767 7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.373 5.110 6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.714 5.738 6.429 1.00 0.00 H new ATOM 1416 N SER A 93 -4.866 6.689 9.712 1.00 0.00 N ATOM 1417 CA SER A 93 -3.699 6.920 10.550 1.00 0.00 C ATOM 1418 C SER A 93 -3.425 5.592 11.272 1.00 0.00 C ATOM 1419 O SER A 93 -4.339 4.766 11.375 1.00 0.00 O ATOM 1420 CB SER A 93 -3.897 8.114 11.496 1.00 0.00 C ATOM 1421 OG SER A 93 -4.471 7.773 12.742 1.00 0.00 O ATOM 0 H SER A 93 -5.427 5.899 10.032 1.00 0.00 H new ATOM 0 HA SER A 93 -2.828 7.205 9.960 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.932 8.590 11.670 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.532 8.852 11.005 1.00 0.00 H new ATOM 0 HG SER A 93 -4.565 8.580 13.290 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.213 5.387 11.788 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.905 4.272 12.684 1.00 0.00 C ATOM 1429 C GLY A 94 -0.575 3.609 12.359 1.00 0.00 C ATOM 1430 O GLY A 94 0.303 4.218 11.740 1.00 0.00 O ATOM 0 H GLY A 94 -1.414 5.992 11.596 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.885 4.632 13.713 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.701 3.530 12.621 1.00 0.00 H new ATOM 1434 N THR A 95 -0.364 2.396 12.854 1.00 0.00 N ATOM 1435 CA THR A 95 0.708 1.525 12.391 1.00 0.00 C ATOM 1436 C THR A 95 0.236 0.763 11.167 1.00 0.00 C ATOM 1437 O THR A 95 -0.969 0.674 10.927 1.00 0.00 O ATOM 1438 CB THR A 95 1.043 0.508 13.508 1.00 0.00 C ATOM 1439 OG1 THR A 95 -0.160 0.030 14.080 1.00 0.00 O ATOM 1440 CG2 THR A 95 1.863 1.161 14.602 1.00 0.00 C ATOM 0 H THR A 95 -0.936 1.987 13.593 1.00 0.00 H new ATOM 0 HA THR A 95 1.587 2.120 12.144 1.00 0.00 H new ATOM 0 HB THR A 95 1.615 -0.309 13.068 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.048 -0.616 14.787 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.087 0.427 15.376 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.794 1.540 14.181 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.299 1.986 15.036 1.00 0.00 H new ATOM 1448 N VAL A 96 1.167 0.151 10.434 1.00 0.00 N ATOM 1449 CA VAL A 96 0.804 -0.774 9.374 1.00 0.00 C ATOM 1450 C VAL A 96 -0.127 -1.842 9.947 1.00 0.00 C ATOM 1451 O VAL A 96 -1.225 -2.028 9.434 1.00 0.00 O ATOM 1452 CB VAL A 96 2.067 -1.386 8.730 1.00 0.00 C ATOM 1453 CG1 VAL A 96 1.789 -2.670 7.929 1.00 0.00 C ATOM 1454 CG2 VAL A 96 2.715 -0.354 7.810 1.00 0.00 C ATOM 0 H VAL A 96 2.171 0.282 10.558 1.00 0.00 H new ATOM 0 HA VAL A 96 0.275 -0.245 8.581 1.00 0.00 H new ATOM 0 HB VAL A 96 2.732 -1.662 9.548 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.721 -3.044 7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.362 -3.425 8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.087 -2.452 7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.607 -0.783 7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.010 -0.068 7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.991 0.527 8.389 1.00 0.00 H new ATOM 1464 N GLU A 97 0.284 -2.526 11.018 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.453 -3.684 11.519 1.00 0.00 C ATOM 1466 C GLU A 97 -1.900 -3.367 11.936 1.00 0.00 C ATOM 1467 O GLU A 97 -2.729 -4.270 12.020 1.00 0.00 O ATOM 1468 CB GLU A 97 0.302 -4.331 12.684 1.00 0.00 C ATOM 1469 CG GLU A 97 0.445 -3.419 13.912 1.00 0.00 C ATOM 1470 CD GLU A 97 0.752 -4.208 15.182 1.00 0.00 C ATOM 1471 OE1 GLU A 97 0.056 -5.217 15.466 1.00 0.00 O ATOM 1472 OE2 GLU A 97 1.679 -3.841 15.931 1.00 0.00 O ATOM 0 H GLU A 97 1.122 -2.297 11.553 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.522 -4.382 10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.216 -5.243 12.979 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.295 -4.624 12.343 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.240 -2.695 13.735 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.476 -2.853 14.051 1.00 0.00 H new ATOM 1479 N GLU A 98 -2.198 -2.107 12.246 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.495 -1.624 12.689 1.00 0.00 C ATOM 1481 C GLU A 98 -4.287 -1.230 11.453 1.00 0.00 C ATOM 1482 O GLU A 98 -5.390 -1.711 11.237 1.00 0.00 O ATOM 1483 CB GLU A 98 -3.283 -0.427 13.630 1.00 0.00 C ATOM 1484 CG GLU A 98 -4.578 0.154 14.209 1.00 0.00 C ATOM 1485 CD GLU A 98 -5.285 -0.848 15.119 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -4.714 -1.210 16.177 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -6.395 -1.305 14.776 1.00 0.00 O ATOM 0 H GLU A 98 -1.504 -1.362 12.191 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.047 -2.388 13.237 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.637 -0.735 14.452 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.756 0.358 13.088 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.352 1.060 14.771 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.244 0.441 13.396 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.709 -0.395 10.598 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.308 0.095 9.369 1.00 0.00 C ATOM 1496 C VAL A 99 -4.759 -1.052 8.469 1.00 0.00 C ATOM 1497 O VAL A 99 -5.782 -0.948 7.789 1.00 0.00 O ATOM 1498 CB VAL A 99 -3.220 0.952 8.702 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.499 1.333 7.261 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -3.086 2.270 9.458 1.00 0.00 C ATOM 0 H VAL A 99 -2.770 -0.027 10.752 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.210 0.676 9.563 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.325 0.331 8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.676 1.936 6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.598 0.430 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.424 1.907 7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.315 2.882 8.989 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.037 2.802 9.433 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.810 2.069 10.493 1.00 0.00 H new ATOM 1510 N VAL A 100 -4.002 -2.144 8.464 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.282 -3.312 7.664 1.00 0.00 C ATOM 1512 C VAL A 100 -5.557 -3.915 8.229 1.00 0.00 C ATOM 1513 O VAL A 100 -6.541 -4.056 7.504 1.00 0.00 O ATOM 1514 CB VAL A 100 -3.040 -4.225 7.696 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.318 -5.656 7.232 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -1.959 -3.602 6.797 1.00 0.00 C ATOM 0 H VAL A 100 -3.160 -2.235 9.032 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.461 -3.112 6.608 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.715 -4.296 8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.399 -6.240 7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.070 -6.108 7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.683 -5.641 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.070 -4.233 6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.336 -3.520 5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.703 -2.610 7.170 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.575 -4.185 9.532 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.736 -4.738 10.214 1.00 0.00 C ATOM 1528 C ASN A 101 -7.982 -3.870 9.983 1.00 0.00 C ATOM 1529 O ASN A 101 -9.064 -4.407 9.729 1.00 0.00 O ATOM 1530 CB ASN A 101 -6.429 -4.763 11.719 1.00 0.00 C ATOM 1531 CG ASN A 101 -5.819 -6.050 12.263 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -5.714 -7.069 11.585 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -5.413 -6.026 13.522 1.00 0.00 N ATOM 0 H ASN A 101 -4.777 -4.024 10.146 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.936 -5.737 9.826 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.749 -3.941 11.943 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -7.355 -4.568 12.260 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.006 -6.861 13.943 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.507 -5.172 14.072 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.850 -2.537 10.059 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.973 -1.619 9.881 1.00 0.00 C ATOM 1542 C GLN A 102 -9.620 -1.803 8.504 1.00 0.00 C ATOM 1543 O GLN A 102 -10.845 -1.742 8.345 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.559 -0.142 10.003 1.00 0.00 C ATOM 1545 CG GLN A 102 -8.054 0.322 11.375 1.00 0.00 C ATOM 1546 CD GLN A 102 -7.808 1.829 11.385 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -8.417 2.578 10.628 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -6.911 2.327 12.213 1.00 0.00 N ATOM 0 H GLN A 102 -6.962 -2.071 10.245 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.676 -1.861 10.678 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.777 0.054 9.269 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.415 0.475 9.729 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -8.784 0.064 12.142 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -7.131 -0.203 11.624 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.402 1.709 12.845 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -6.727 3.330 12.222 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.780 -1.968 7.486 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.190 -2.167 6.112 1.00 0.00 C ATOM 1559 C TYR A 103 -9.779 -3.556 5.893 1.00 0.00 C ATOM 1560 O TYR A 103 -10.833 -3.661 5.264 1.00 0.00 O ATOM 1561 CB TYR A 103 -7.997 -1.881 5.207 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.124 -2.523 3.848 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -9.104 -2.040 2.967 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -7.379 -3.674 3.525 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -9.330 -2.696 1.745 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -7.578 -4.307 2.290 1.00 0.00 C ATOM 1567 CZ TYR A 103 -8.574 -3.840 1.406 1.00 0.00 C ATOM 1568 OH TYR A 103 -8.888 -4.551 0.288 1.00 0.00 O ATOM 0 H TYR A 103 -7.767 -1.966 7.605 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.993 -1.474 5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -7.890 -0.803 5.085 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.087 -2.239 5.689 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -9.683 -1.166 3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.657 -4.067 4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.082 -2.325 1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -6.967 -5.154 2.014 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.271 -5.307 0.197 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.168 -4.611 6.438 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.719 -5.959 6.356 1.00 0.00 C ATOM 1580 C LEU A 104 -11.108 -6.013 6.997 1.00 0.00 C ATOM 1581 O LEU A 104 -11.959 -6.794 6.568 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.806 -6.979 7.062 1.00 0.00 C ATOM 1583 CG LEU A 104 -7.724 -7.521 6.121 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.522 -6.607 5.945 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -7.180 -8.856 6.601 1.00 0.00 C ATOM 0 H LEU A 104 -8.284 -4.552 6.944 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.790 -6.216 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.335 -6.509 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.408 -7.806 7.439 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.243 -7.610 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.809 -7.071 5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.848 -5.652 5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.046 -6.442 6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.416 -9.208 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.743 -8.736 7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.990 -9.584 6.647 1.00 0.00 H new ATOM 1597 N SER A 105 -11.340 -5.159 7.997 1.00 0.00 N ATOM 1598 CA SER A 105 -12.612 -5.014 8.688 1.00 0.00 C ATOM 1599 C SER A 105 -13.637 -4.194 7.897 1.00 0.00 C ATOM 1600 O SER A 105 -14.766 -4.042 8.373 1.00 0.00 O ATOM 1601 CB SER A 105 -12.362 -4.358 10.045 1.00 0.00 C ATOM 1602 OG SER A 105 -11.504 -5.164 10.824 1.00 0.00 O ATOM 0 H SER A 105 -10.620 -4.531 8.355 1.00 0.00 H new ATOM 0 HA SER A 105 -13.037 -6.011 8.807 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.919 -3.372 9.905 1.00 0.00 H new ATOM 0 HB3 SER A 105 -13.308 -4.211 10.566 1.00 0.00 H new ATOM 0 HG SER A 105 -10.575 -5.011 10.552 1.00 0.00 H new ATOM 1608 N GLY A 106 -13.285 -3.651 6.726 1.00 0.00 N ATOM 1609 CA GLY A 106 -14.163 -2.831 5.898 1.00 0.00 C ATOM 1610 C GLY A 106 -14.543 -1.504 6.554 1.00 0.00 C ATOM 1611 O GLY A 106 -15.564 -0.919 6.187 1.00 0.00 O ATOM 0 H GLY A 106 -12.357 -3.776 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.671 -2.631 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.071 -3.392 5.676 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.766 -1.036 7.536 1.00 0.00 N ATOM 1616 CA GLN A 107 -14.000 0.264 8.151 1.00 0.00 C ATOM 1617 C GLN A 107 -13.401 1.348 7.261 1.00 0.00 C ATOM 1618 O GLN A 107 -14.106 2.256 6.810 1.00 0.00 O ATOM 1619 CB GLN A 107 -13.428 0.294 9.573 1.00 0.00 C ATOM 1620 CG GLN A 107 -14.161 -0.708 10.479 1.00 0.00 C ATOM 1621 CD GLN A 107 -14.310 -0.161 11.892 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -13.328 -0.022 12.619 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -15.526 0.157 12.308 1.00 0.00 N ATOM 0 H GLN A 107 -12.969 -1.544 7.919 1.00 0.00 H new ATOM 0 HA GLN A 107 -15.070 0.451 8.241 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.365 0.057 9.547 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.520 1.299 9.985 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.145 -0.926 10.064 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.611 -1.649 10.506 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -16.326 0.033 11.687 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.663 0.526 13.249 1.00 0.00 H new ATOM 1632 N LEU A 108 -12.104 1.213 6.983 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.361 2.097 6.098 1.00 0.00 C ATOM 1634 C LEU A 108 -11.956 2.083 4.694 1.00 0.00 C ATOM 1635 O LEU A 108 -12.402 1.041 4.212 1.00 0.00 O ATOM 1636 CB LEU A 108 -9.903 1.628 6.020 1.00 0.00 C ATOM 1637 CG LEU A 108 -8.933 2.382 6.929 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -7.550 1.749 6.801 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.804 3.870 6.629 1.00 0.00 C ATOM 0 H LEU A 108 -11.532 0.467 7.378 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.416 3.110 6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.864 0.568 6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.561 1.724 4.990 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.343 2.303 7.936 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.847 2.278 7.445 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.600 0.702 7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.214 1.815 5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.095 4.321 7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.448 4.006 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.777 4.349 6.741 1.00 0.00 H new ATOM 1651 N LYS A 109 -11.891 3.228 4.012 1.00 0.00 N ATOM 1652 CA LYS A 109 -12.478 3.433 2.702 1.00 0.00 C ATOM 1653 C LYS A 109 -11.711 4.457 1.877 1.00 0.00 C ATOM 1654 O LYS A 109 -10.890 5.223 2.374 1.00 0.00 O ATOM 1655 CB LYS A 109 -13.942 3.872 2.902 1.00 0.00 C ATOM 1656 CG LYS A 109 -14.877 3.399 1.786 1.00 0.00 C ATOM 1657 CD LYS A 109 -14.827 1.869 1.616 1.00 0.00 C ATOM 1658 CE LYS A 109 -16.222 1.264 1.660 1.00 0.00 C ATOM 1659 NZ LYS A 109 -16.444 0.288 0.575 1.00 0.00 N ATOM 0 H LYS A 109 -11.415 4.055 4.372 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.431 2.500 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.302 3.486 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.982 4.960 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.898 3.708 2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.598 3.879 0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.350 1.621 0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.214 1.433 2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.373 0.775 2.622 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.963 2.060 1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.407 -0.097 0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.326 0.759 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.755 -0.486 0.658 1.00 0.00 H new ATOM 1673 N ASP A 110 -11.995 4.455 0.584 1.00 0.00 N ATOM 1674 CA ASP A 110 -11.458 5.311 -0.465 1.00 0.00 C ATOM 1675 C ASP A 110 -12.442 6.449 -0.785 1.00 0.00 C ATOM 1676 O ASP A 110 -12.418 7.028 -1.870 1.00 0.00 O ATOM 1677 CB ASP A 110 -11.168 4.453 -1.719 1.00 0.00 C ATOM 1678 CG ASP A 110 -12.404 3.758 -2.322 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -13.224 3.223 -1.533 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -12.497 3.652 -3.567 1.00 0.00 O ATOM 0 H ASP A 110 -12.671 3.792 0.206 1.00 0.00 H new ATOM 0 HA ASP A 110 -10.528 5.767 -0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.717 5.088 -2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -10.431 3.693 -1.460 1.00 0.00 H new ATOM 1685 N SER A 111 -13.342 6.769 0.143 1.00 0.00 N ATOM 1686 CA SER A 111 -14.549 7.568 -0.051 1.00 0.00 C ATOM 1687 C SER A 111 -14.316 9.077 -0.211 1.00 0.00 C ATOM 1688 O SER A 111 -15.275 9.849 -0.244 1.00 0.00 O ATOM 1689 CB SER A 111 -15.469 7.290 1.145 1.00 0.00 C ATOM 1690 OG SER A 111 -14.788 7.510 2.367 1.00 0.00 O ATOM 0 H SER A 111 -13.241 6.458 1.109 1.00 0.00 H new ATOM 0 HA SER A 111 -14.994 7.269 -1.000 1.00 0.00 H new ATOM 0 HB2 SER A 111 -16.346 7.934 1.092 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.826 6.261 1.103 1.00 0.00 H new ATOM 0 HG SER A 111 -15.393 7.329 3.116 1.00 0.00 H new ATOM 1696 N ASP A 112 -13.066 9.525 -0.271 1.00 0.00 N ATOM 1697 CA ASP A 112 -12.682 10.850 0.204 1.00 0.00 C ATOM 1698 C ASP A 112 -12.022 11.594 -0.950 1.00 0.00 C ATOM 1699 O ASP A 112 -10.795 11.682 -1.089 1.00 0.00 O ATOM 1700 CB ASP A 112 -11.854 10.693 1.485 1.00 0.00 C ATOM 1701 CG ASP A 112 -11.426 12.011 2.116 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -11.463 13.072 1.459 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -10.962 11.962 3.280 1.00 0.00 O ATOM 0 H ASP A 112 -12.291 8.980 -0.650 1.00 0.00 H new ATOM 0 HA ASP A 112 -13.527 11.472 0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -12.435 10.126 2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -10.964 10.105 1.260 1.00 0.00 H new ATOM 1708 N TYR A 113 -12.873 12.013 -1.884 1.00 0.00 N ATOM 1709 CA TYR A 113 -12.477 12.569 -3.162 1.00 0.00 C ATOM 1710 C TYR A 113 -13.691 13.287 -3.742 1.00 0.00 C ATOM 1711 O TYR A 113 -14.486 12.684 -4.470 1.00 0.00 O ATOM 1712 CB TYR A 113 -11.969 11.437 -4.068 1.00 0.00 C ATOM 1713 CG TYR A 113 -11.352 11.884 -5.373 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -9.968 12.124 -5.443 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -12.145 12.007 -6.528 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -9.373 12.473 -6.665 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -11.557 12.339 -7.759 1.00 0.00 C ATOM 1718 CZ TYR A 113 -10.166 12.562 -7.828 1.00 0.00 C ATOM 1719 OH TYR A 113 -9.570 12.795 -9.017 1.00 0.00 O ATOM 0 H TYR A 113 -13.885 11.971 -1.762 1.00 0.00 H new ATOM 0 HA TYR A 113 -11.662 13.286 -3.065 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -11.231 10.855 -3.516 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -12.801 10.769 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -9.361 12.039 -4.554 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -13.211 11.845 -6.468 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -8.313 12.673 -6.715 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -12.166 12.423 -8.647 1.00 0.00 H new ATOM 0 HH TYR A 113 -10.249 12.828 -9.723 1.00 0.00 H new ATOM 1729 N GLU A 114 -13.851 14.547 -3.346 1.00 0.00 N ATOM 1730 CA GLU A 114 -14.695 15.583 -3.937 1.00 0.00 C ATOM 1731 C GLU A 114 -14.734 16.781 -2.999 1.00 0.00 C ATOM 1732 O GLU A 114 -14.571 16.626 -1.786 1.00 0.00 O ATOM 1733 CB GLU A 114 -16.142 15.119 -4.205 1.00 0.00 C ATOM 1734 CG GLU A 114 -16.410 15.000 -5.709 1.00 0.00 C ATOM 1735 CD GLU A 114 -16.591 16.383 -6.344 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -15.727 17.270 -6.152 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -17.614 16.605 -7.023 1.00 0.00 O ATOM 0 H GLU A 114 -13.349 14.901 -2.531 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.256 15.837 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.314 14.156 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.843 15.827 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.581 14.480 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -17.304 14.399 -5.877 1.00 0.00 H new ATOM 1744 N VAL A 115 -14.991 17.967 -3.546 1.00 0.00 N ATOM 1745 CA VAL A 115 -15.367 19.137 -2.773 1.00 0.00 C ATOM 1746 C VAL A 115 -16.434 19.888 -3.577 1.00 0.00 C ATOM 1747 O VAL A 115 -17.624 19.637 -3.370 1.00 0.00 O ATOM 1748 CB VAL A 115 -14.148 19.999 -2.366 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -14.566 20.958 -1.249 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -12.918 19.218 -1.883 1.00 0.00 C ATOM 0 H VAL A 115 -14.942 18.139 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 115 -15.791 18.845 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 115 -13.845 20.512 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -13.713 21.569 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -15.369 21.603 -1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.914 20.386 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -12.122 19.916 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.183 18.628 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -12.574 18.555 -2.676 1.00 0.00 H new ATOM 1760 N HIS A 116 -16.054 20.792 -4.489 1.00 0.00 N ATOM 1761 CA HIS A 116 -17.002 21.656 -5.186 1.00 0.00 C ATOM 1762 C HIS A 116 -16.637 21.849 -6.650 1.00 0.00 C ATOM 1763 O HIS A 116 -17.483 21.581 -7.495 1.00 0.00 O ATOM 1764 CB HIS A 116 -17.155 22.995 -4.446 1.00 0.00 C ATOM 1765 CG HIS A 116 -18.252 23.847 -5.034 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -19.608 23.673 -4.827 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -18.081 24.915 -5.869 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -20.250 24.629 -5.525 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -19.342 25.396 -6.162 1.00 0.00 N ATOM 0 H HIS A 116 -15.082 20.941 -4.761 1.00 0.00 H new ATOM 0 HA HIS A 116 -17.971 21.158 -5.181 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -17.369 22.805 -3.394 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -16.212 23.540 -4.486 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -17.142 25.307 -6.230 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -21.321 24.760 -5.568 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -19.551 26.196 -6.759 1.00 0.00 H new ATOM 1778 N ASP A 117 -15.435 22.341 -6.972 1.00 0.00 N ATOM 1779 CA ASP A 117 -15.005 22.447 -8.374 1.00 0.00 C ATOM 1780 C ASP A 117 -13.486 22.518 -8.507 1.00 0.00 C ATOM 1781 O ASP A 117 -12.910 21.798 -9.315 1.00 0.00 O ATOM 1782 CB ASP A 117 -15.654 23.647 -9.092 1.00 0.00 C ATOM 1783 CG ASP A 117 -16.323 23.169 -10.380 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -15.614 22.801 -11.344 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -17.569 23.057 -10.384 1.00 0.00 O ATOM 0 H ASP A 117 -14.749 22.669 -6.292 1.00 0.00 H new ATOM 0 HA ASP A 117 -15.347 21.533 -8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -16.390 24.119 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -14.899 24.400 -9.319 1.00 0.00 H new ATOM 1790 N HIS A 118 -12.807 23.315 -7.668 1.00 0.00 N ATOM 1791 CA HIS A 118 -11.343 23.464 -7.657 1.00 0.00 C ATOM 1792 C HIS A 118 -10.839 24.045 -8.991 1.00 0.00 C ATOM 1793 O HIS A 118 -11.628 24.559 -9.786 1.00 0.00 O ATOM 1794 CB HIS A 118 -10.651 22.128 -7.254 1.00 0.00 C ATOM 1795 CG HIS A 118 -9.812 22.145 -5.990 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -9.397 23.249 -5.263 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -9.332 21.029 -5.357 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -8.692 22.806 -4.206 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -8.635 21.461 -4.244 1.00 0.00 N ATOM 0 H HIS A 118 -13.271 23.887 -6.962 1.00 0.00 H new ATOM 0 HA HIS A 118 -11.065 24.188 -6.891 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -11.423 21.367 -7.139 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.014 21.813 -8.080 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -9.472 20.004 -5.669 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -8.243 23.430 -3.447 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -8.159 20.864 -3.568 1.00 0.00 H new ATOM 1808 N HIS A 119 -9.516 24.057 -9.197 1.00 0.00 N ATOM 1809 CA HIS A 119 -8.838 24.621 -10.366 1.00 0.00 C ATOM 1810 C HIS A 119 -9.576 24.296 -11.665 1.00 0.00 C ATOM 1811 O HIS A 119 -9.789 23.124 -11.979 1.00 0.00 O ATOM 1812 CB HIS A 119 -7.396 24.091 -10.430 1.00 0.00 C ATOM 1813 CG HIS A 119 -6.383 25.145 -10.780 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -5.471 25.075 -11.816 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -6.187 26.321 -10.110 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -4.736 26.200 -11.774 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -5.155 26.971 -10.755 1.00 0.00 N ATOM 0 H HIS A 119 -8.863 23.656 -8.524 1.00 0.00 H new ATOM 0 HA HIS A 119 -8.829 25.706 -10.259 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -7.135 23.654 -9.466 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -7.344 23.290 -11.168 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -6.732 26.672 -9.246 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.933 26.446 -12.453 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -4.774 27.883 -10.502 1.00 0.00 H new ATOM 1826 N HIS A 120 -9.955 25.312 -12.439 1.00 0.00 N ATOM 1827 CA HIS A 120 -10.641 25.123 -13.708 1.00 0.00 C ATOM 1828 C HIS A 120 -9.597 25.073 -14.812 1.00 0.00 C ATOM 1829 O HIS A 120 -8.861 26.044 -14.987 1.00 0.00 O ATOM 1830 CB HIS A 120 -11.655 26.248 -13.951 1.00 0.00 C ATOM 1831 CG HIS A 120 -12.769 25.749 -14.831 1.00 0.00 C ATOM 1832 ND1 HIS A 120 -12.740 25.615 -16.212 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -13.893 25.129 -14.362 1.00 0.00 C ATOM 1834 CE1 HIS A 120 -13.846 24.934 -16.565 1.00 0.00 C ATOM 1835 NE2 HIS A 120 -14.552 24.623 -15.460 1.00 0.00 N ATOM 0 H HIS A 120 -9.793 26.290 -12.200 1.00 0.00 H new ATOM 0 HA HIS A 120 -11.201 24.188 -13.694 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -12.059 26.598 -13.001 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -11.162 27.099 -14.420 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -12.017 25.966 -16.840 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -14.204 25.051 -13.331 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.124 24.677 -17.576 1.00 0.00 H new ATOM 1844 N HIS A 121 -9.500 23.973 -15.565 1.00 0.00 N ATOM 1845 CA HIS A 121 -8.680 23.993 -16.778 1.00 0.00 C ATOM 1846 C HIS A 121 -9.267 24.996 -17.772 1.00 0.00 C ATOM 1847 O HIS A 121 -10.486 25.185 -17.842 1.00 0.00 O ATOM 1848 CB HIS A 121 -8.556 22.595 -17.392 1.00 0.00 C ATOM 1849 CG HIS A 121 -7.676 22.524 -18.615 1.00 0.00 C ATOM 1850 ND1 HIS A 121 -8.001 21.877 -19.791 1.00 0.00 N ATOM 1851 CD2 HIS A 121 -6.377 22.945 -18.704 1.00 0.00 C ATOM 1852 CE1 HIS A 121 -6.908 21.885 -20.576 1.00 0.00 C ATOM 1853 NE2 HIS A 121 -5.916 22.537 -19.938 1.00 0.00 N ATOM 0 H HIS A 121 -9.962 23.086 -15.365 1.00 0.00 H new ATOM 0 HA HIS A 121 -7.670 24.309 -16.518 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -8.163 21.914 -16.637 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -9.552 22.238 -17.655 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -5.822 23.490 -17.955 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -6.837 21.441 -21.558 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -4.979 22.701 -20.307 1.00 0.00 H new ATOM 1862 N GLU A 122 -8.390 25.624 -18.538 1.00 0.00 N ATOM 1863 CA GLU A 122 -8.666 26.490 -19.659 1.00 0.00 C ATOM 1864 C GLU A 122 -8.935 25.613 -20.887 1.00 0.00 C ATOM 1865 O GLU A 122 -8.033 24.981 -21.437 1.00 0.00 O ATOM 1866 CB GLU A 122 -7.517 27.506 -19.863 1.00 0.00 C ATOM 1867 CG GLU A 122 -6.066 26.974 -19.936 1.00 0.00 C ATOM 1868 CD GLU A 122 -5.382 26.794 -18.574 1.00 0.00 C ATOM 1869 OE1 GLU A 122 -5.814 25.924 -17.783 1.00 0.00 O ATOM 1870 OE2 GLU A 122 -4.385 27.498 -18.303 1.00 0.00 O ATOM 0 H GLU A 122 -7.388 25.530 -18.374 1.00 0.00 H new ATOM 0 HA GLU A 122 -9.555 27.094 -19.476 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -7.717 28.052 -20.785 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -7.565 28.228 -19.048 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -6.070 26.016 -20.455 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -5.471 27.660 -20.539 1.00 0.00 H new ATOM 1877 N HIS A 123 -10.196 25.523 -21.304 1.00 0.00 N ATOM 1878 CA HIS A 123 -10.599 25.062 -22.630 1.00 0.00 C ATOM 1879 C HIS A 123 -11.929 25.757 -22.909 1.00 0.00 C ATOM 1880 O HIS A 123 -12.690 25.869 -21.943 1.00 0.00 O ATOM 1881 CB HIS A 123 -10.698 23.515 -22.681 1.00 0.00 C ATOM 1882 CG HIS A 123 -12.078 22.887 -22.831 1.00 0.00 C ATOM 1883 ND1 HIS A 123 -13.238 23.229 -22.146 1.00 0.00 N ATOM 1884 CD2 HIS A 123 -12.388 21.856 -23.675 1.00 0.00 C ATOM 1885 CE1 HIS A 123 -14.231 22.434 -22.582 1.00 0.00 C ATOM 1886 NE2 HIS A 123 -13.734 21.593 -23.509 1.00 0.00 N ATOM 0 H HIS A 123 -10.987 25.776 -20.712 1.00 0.00 H new ATOM 0 HA HIS A 123 -9.868 25.313 -23.398 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -10.083 23.169 -23.512 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -10.251 23.122 -21.768 1.00 0.00 H new ATOM 0 HD1 HIS A 123 -13.322 23.957 -21.436 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -11.710 21.345 -24.343 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -15.257 22.465 -22.245 1.00 0.00 H new ATOM 1895 N HIS A 124 -12.190 26.087 -24.180 1.00 0.00 N ATOM 1896 CA HIS A 124 -13.437 26.618 -24.733 1.00 0.00 C ATOM 1897 C HIS A 124 -14.261 27.320 -23.655 1.00 0.00 C ATOM 1898 O HIS A 124 -13.897 28.460 -23.354 1.00 0.00 O ATOM 1899 CB HIS A 124 -14.224 25.540 -25.517 1.00 0.00 C ATOM 1900 CG HIS A 124 -15.447 26.100 -26.219 1.00 0.00 C ATOM 1901 ND1 HIS A 124 -16.465 26.784 -25.587 1.00 0.00 N ATOM 1902 CD2 HIS A 124 -15.723 26.081 -27.561 1.00 0.00 C ATOM 1903 CE1 HIS A 124 -17.339 27.198 -26.521 1.00 0.00 C ATOM 1904 NE2 HIS A 124 -16.914 26.771 -27.731 1.00 0.00 N ATOM 0 H HIS A 124 -11.478 25.980 -24.902 1.00 0.00 H new ATOM 0 HA HIS A 124 -13.187 27.383 -25.469 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -13.566 25.081 -26.254 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -14.534 24.752 -24.831 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -15.129 25.619 -28.335 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -18.232 27.776 -26.335 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -17.389 26.930 -28.620 1.00 0.00 H new TER 1913 HIS A 124