USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 950 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -137:sc= -0.175 (180deg=-0.608) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0292 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.387 K(o=0.39,f=-6.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 135:sc= 2.08 USER MOD Single : A 18 SER OG : rot 180:sc= 0.3 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) 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 X(o=0,f=-0.093) USER MOD Single : A 35 ASN : amide:sc=-0.00949 X(o=-0.0095,f=-0.14) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.775 K(o=0.78,f=-4.8!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 51 HIS : no HD1:sc= -0.0098 X(o=-0.0098,f=0) USER MOD Single : A 53 HIS : no HE2:sc= 0.0732 K(o=0.073,f=-1.3) USER MOD Single : A 58 ASN : amide:sc=-0.00274 K(o=-0.0027,f=-0.78) 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 176:sc= -2.44 (180deg=-2.54) USER MOD Single : A 87 LYS NZ :NH3+ 162:sc= 1.19 (180deg=0.719) USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= 1.39 (180deg=0.815) USER MOD Single : A 93 SER OG : rot 34:sc= 0.2 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 81:sc= 0.228 USER MOD Single : A 107 GLN : amide:sc= -0.0789 X(o=-0.079,f=-0.57) USER MOD Single : A 109 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0863) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.682 X(o=-0.68,f=-0.57) USER MOD Single : A 118 HIS : no HE2:sc= -0.282 K(o=-0.28,f=-1.1) USER MOD Single : A 119 HIS : no HD1:sc= 0.785 K(o=0.79,f=-3.9!) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.652 K(o=-0.65,f=-0.089) USER MOD Single : A 124 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.007) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.570 -9.672 -4.005 1.00 0.00 N ATOM 2 CA MET A 1 -3.776 -8.226 -3.853 1.00 0.00 C ATOM 3 C MET A 1 -2.661 -7.672 -2.986 1.00 0.00 C ATOM 4 O MET A 1 -2.330 -8.264 -1.961 1.00 0.00 O ATOM 5 CB MET A 1 -5.170 -7.906 -3.294 1.00 0.00 C ATOM 6 CG MET A 1 -5.282 -6.445 -2.838 1.00 0.00 C ATOM 7 SD MET A 1 -6.940 -5.870 -2.414 1.00 0.00 S ATOM 8 CE MET A 1 -7.883 -6.199 -3.935 1.00 0.00 C ATOM 0 H1 MET A 1 -4.480 -10.165 -3.902 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.174 -9.869 -4.946 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.910 -10.007 -3.275 1.00 0.00 H new ATOM 0 HA MET A 1 -3.738 -7.743 -4.830 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.922 -8.107 -4.057 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.384 -8.566 -2.454 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.638 -6.306 -1.969 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.890 -5.807 -3.630 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.530 -5.349 -4.153 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.193 -6.352 -4.765 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.492 -7.093 -3.799 1.00 0.00 H new ATOM 18 N ILE A 2 -2.082 -6.538 -3.380 1.00 0.00 N ATOM 19 CA ILE A 2 -0.911 -5.949 -2.738 1.00 0.00 C ATOM 20 C ILE A 2 -1.282 -4.505 -2.423 1.00 0.00 C ATOM 21 O ILE A 2 -1.937 -3.854 -3.242 1.00 0.00 O ATOM 22 CB ILE A 2 0.335 -6.080 -3.642 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.354 -7.466 -4.321 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.638 -5.791 -2.887 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.661 -7.835 -5.021 1.00 0.00 C ATOM 0 H ILE A 2 -2.423 -5.993 -4.172 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.642 -6.466 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 2 0.267 -5.319 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.139 -8.224 -3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.453 -7.505 -5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.483 -5.897 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.613 -4.775 -2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.745 -6.496 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.569 -8.826 -5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.873 -7.106 -5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.475 -7.836 -4.296 1.00 0.00 H new ATOM 37 N ILE A 3 -0.942 -4.057 -1.218 1.00 0.00 N ATOM 38 CA ILE A 3 -1.543 -2.952 -0.496 1.00 0.00 C ATOM 39 C ILE A 3 -0.399 -2.088 0.033 1.00 0.00 C ATOM 40 O ILE A 3 0.256 -2.480 0.994 1.00 0.00 O ATOM 41 CB ILE A 3 -2.432 -3.502 0.642 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.568 -4.432 0.141 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.045 -2.317 1.390 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.627 -5.760 0.890 1.00 0.00 C ATOM 0 H ILE A 3 -0.186 -4.490 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.186 -2.348 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.798 -4.106 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.524 -3.919 0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.428 -4.627 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.677 -2.685 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.250 -1.697 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.646 -1.723 0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.442 -6.366 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.684 -6.292 0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.797 -5.573 1.950 1.00 0.00 H new ATOM 56 N ALA A 4 -0.107 -0.963 -0.622 1.00 0.00 N ATOM 57 CA ALA A 4 0.991 -0.083 -0.194 1.00 0.00 C ATOM 58 C ALA A 4 0.565 0.799 0.970 1.00 0.00 C ATOM 59 O ALA A 4 -0.545 1.333 0.958 1.00 0.00 O ATOM 60 CB ALA A 4 1.526 0.811 -1.321 1.00 0.00 C ATOM 0 H ALA A 4 -0.610 -0.638 -1.447 1.00 0.00 H new ATOM 0 HA ALA A 4 1.795 -0.752 0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.334 1.435 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.902 0.188 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.723 1.446 -1.694 1.00 0.00 H new ATOM 66 N ILE A 5 1.489 1.064 1.894 1.00 0.00 N ATOM 67 CA ILE A 5 1.325 1.997 3.003 1.00 0.00 C ATOM 68 C ILE A 5 2.607 2.842 3.064 1.00 0.00 C ATOM 69 O ILE A 5 3.685 2.283 3.257 1.00 0.00 O ATOM 70 CB ILE A 5 1.020 1.250 4.325 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.324 0.498 4.211 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.957 2.249 5.498 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.699 -0.375 5.410 1.00 0.00 C ATOM 0 H ILE A 5 2.406 0.617 1.888 1.00 0.00 H new ATOM 0 HA ILE A 5 0.467 2.652 2.851 1.00 0.00 H new ATOM 0 HB ILE A 5 1.818 0.531 4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.117 1.230 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.293 -0.132 3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.742 1.712 6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.914 2.762 5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.170 2.980 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.659 -0.856 5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.066 -1.137 5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.771 0.245 6.303 1.00 0.00 H new ATOM 85 N PRO A 6 2.547 4.165 2.836 1.00 0.00 N ATOM 86 CA PRO A 6 3.680 5.057 3.026 1.00 0.00 C ATOM 87 C PRO A 6 3.900 5.275 4.528 1.00 0.00 C ATOM 88 O PRO A 6 3.039 5.874 5.172 1.00 0.00 O ATOM 89 CB PRO A 6 3.290 6.333 2.267 1.00 0.00 C ATOM 90 CG PRO A 6 1.764 6.366 2.271 1.00 0.00 C ATOM 91 CD PRO A 6 1.370 4.896 2.394 1.00 0.00 C ATOM 0 HA PRO A 6 4.628 4.673 2.648 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.702 7.218 2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.679 6.317 1.249 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.378 6.955 3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.371 6.811 1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.554 4.776 3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.017 4.512 1.437 1.00 0.00 H new ATOM 99 N VAL A 7 5.026 4.821 5.090 1.00 0.00 N ATOM 100 CA VAL A 7 5.358 4.961 6.516 1.00 0.00 C ATOM 101 C VAL A 7 6.442 6.013 6.770 1.00 0.00 C ATOM 102 O VAL A 7 7.216 6.347 5.869 1.00 0.00 O ATOM 103 CB VAL A 7 5.766 3.600 7.107 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.563 2.667 7.181 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.898 2.924 6.325 1.00 0.00 C ATOM 0 H VAL A 7 5.748 4.336 4.557 1.00 0.00 H new ATOM 0 HA VAL A 7 4.459 5.313 7.021 1.00 0.00 H new ATOM 0 HB VAL A 7 6.141 3.800 8.111 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.870 1.709 7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.796 3.112 7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.161 2.511 6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.141 1.969 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.580 2.756 5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.779 3.566 6.332 1.00 0.00 H new ATOM 115 N SER A 8 6.503 6.556 7.989 1.00 0.00 N ATOM 116 CA SER A 8 7.575 7.461 8.396 1.00 0.00 C ATOM 117 C SER A 8 8.886 6.714 8.649 1.00 0.00 C ATOM 118 O SER A 8 9.940 7.344 8.577 1.00 0.00 O ATOM 119 CB SER A 8 7.192 8.205 9.678 1.00 0.00 C ATOM 120 OG SER A 8 6.207 9.191 9.434 1.00 0.00 O ATOM 0 H SER A 8 5.812 6.380 8.718 1.00 0.00 H new ATOM 0 HA SER A 8 7.719 8.165 7.576 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.820 7.493 10.415 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.078 8.673 10.106 1.00 0.00 H new ATOM 0 HG SER A 8 5.984 9.646 10.273 1.00 0.00 H new ATOM 126 N GLU A 9 8.836 5.422 8.988 1.00 0.00 N ATOM 127 CA GLU A 9 9.993 4.587 9.282 1.00 0.00 C ATOM 128 C GLU A 9 9.644 3.159 8.902 1.00 0.00 C ATOM 129 O GLU A 9 8.487 2.753 9.033 1.00 0.00 O ATOM 130 CB GLU A 9 10.317 4.580 10.783 1.00 0.00 C ATOM 131 CG GLU A 9 10.786 5.940 11.288 1.00 0.00 C ATOM 132 CD GLU A 9 11.126 5.941 12.774 1.00 0.00 C ATOM 133 OE1 GLU A 9 11.743 4.979 13.279 1.00 0.00 O ATOM 134 OE2 GLU A 9 10.721 6.911 13.458 1.00 0.00 O ATOM 0 H GLU A 9 7.954 4.915 9.067 1.00 0.00 H new ATOM 0 HA GLU A 9 10.848 4.978 8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.431 4.275 11.341 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.090 3.837 10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.664 6.249 10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.008 6.679 11.099 1.00 0.00 H new ATOM 141 N ASN A 10 10.661 2.378 8.549 1.00 0.00 N ATOM 142 CA ASN A 10 10.553 0.935 8.482 1.00 0.00 C ATOM 143 C ASN A 10 10.813 0.437 9.888 1.00 0.00 C ATOM 144 O ASN A 10 11.946 0.528 10.378 1.00 0.00 O ATOM 145 CB ASN A 10 11.564 0.337 7.491 1.00 0.00 C ATOM 146 CG ASN A 10 11.684 -1.182 7.615 1.00 0.00 C ATOM 147 OD1 ASN A 10 10.899 -1.846 8.282 1.00 0.00 O ATOM 148 ND2 ASN A 10 12.676 -1.766 6.984 1.00 0.00 N ATOM 0 H ASN A 10 11.584 2.735 8.302 1.00 0.00 H new ATOM 0 HA ASN A 10 9.569 0.632 8.123 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.264 0.592 6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.541 0.789 7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.796 -2.777 7.048 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.327 -1.209 6.430 1.00 0.00 H new ATOM 155 N ARG A 11 9.770 -0.087 10.526 1.00 0.00 N ATOM 156 CA ARG A 11 9.876 -0.855 11.755 1.00 0.00 C ATOM 157 C ARG A 11 9.172 -2.210 11.575 1.00 0.00 C ATOM 158 O ARG A 11 8.515 -2.702 12.493 1.00 0.00 O ATOM 159 CB ARG A 11 9.280 -0.042 12.918 1.00 0.00 C ATOM 160 CG ARG A 11 9.917 1.343 13.094 1.00 0.00 C ATOM 161 CD ARG A 11 9.528 1.918 14.458 1.00 0.00 C ATOM 162 NE ARG A 11 10.205 3.195 14.722 1.00 0.00 N ATOM 163 CZ ARG A 11 10.316 3.828 15.894 1.00 0.00 C ATOM 164 NH1 ARG A 11 9.767 3.324 16.996 1.00 0.00 N ATOM 165 NH2 ARG A 11 10.993 4.966 15.936 1.00 0.00 N ATOM 0 H ARG A 11 8.811 0.014 10.194 1.00 0.00 H new ATOM 0 HA ARG A 11 10.921 -1.055 11.991 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.209 0.079 12.754 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.399 -0.607 13.843 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.002 1.268 13.016 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.585 2.011 12.299 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.448 2.063 14.497 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.782 1.203 15.240 1.00 0.00 H new ATOM 0 HE ARG A 11 10.640 3.650 13.920 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.253 2.444 16.953 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.860 3.818 17.884 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.415 5.340 15.086 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.092 5.468 16.818 1.00 0.00 H new ATOM 179 N GLY A 12 9.310 -2.834 10.405 1.00 0.00 N ATOM 180 CA GLY A 12 8.613 -4.054 10.011 1.00 0.00 C ATOM 181 C GLY A 12 7.121 -3.785 9.938 1.00 0.00 C ATOM 182 O GLY A 12 6.643 -3.165 8.987 1.00 0.00 O ATOM 0 H GLY A 12 9.936 -2.488 9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.979 -4.398 9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.815 -4.849 10.729 1.00 0.00 H new ATOM 186 N LYS A 13 6.381 -4.216 10.951 1.00 0.00 N ATOM 187 CA LYS A 13 4.927 -4.120 11.022 1.00 0.00 C ATOM 188 C LYS A 13 4.508 -2.914 11.858 1.00 0.00 C ATOM 189 O LYS A 13 3.492 -2.283 11.575 1.00 0.00 O ATOM 190 CB LYS A 13 4.397 -5.390 11.691 1.00 0.00 C ATOM 191 CG LYS A 13 4.901 -6.711 11.083 1.00 0.00 C ATOM 192 CD LYS A 13 4.665 -7.872 12.051 1.00 0.00 C ATOM 193 CE LYS A 13 5.697 -7.788 13.184 1.00 0.00 C ATOM 194 NZ LYS A 13 5.354 -8.683 14.300 1.00 0.00 N ATOM 0 H LYS A 13 6.790 -4.657 11.775 1.00 0.00 H new ATOM 0 HA LYS A 13 4.523 -4.007 10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.670 -5.367 12.746 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.308 -5.379 11.643 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.386 -6.904 10.142 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.964 -6.631 10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.654 -7.826 12.457 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.755 -8.824 11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.683 -8.048 12.798 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.757 -6.762 13.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.074 -8.599 15.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.424 -8.418 14.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.321 -9.665 13.960 1.00 0.00 H new ATOM 208 N ASP A 14 5.327 -2.571 12.858 1.00 0.00 N ATOM 209 CA ASP A 14 5.117 -1.450 13.778 1.00 0.00 C ATOM 210 C ASP A 14 5.267 -0.099 13.061 1.00 0.00 C ATOM 211 O ASP A 14 4.960 0.937 13.645 1.00 0.00 O ATOM 212 CB ASP A 14 6.122 -1.511 14.945 1.00 0.00 C ATOM 213 CG ASP A 14 5.960 -2.722 15.869 1.00 0.00 C ATOM 214 OD1 ASP A 14 6.631 -3.755 15.617 1.00 0.00 O ATOM 215 OD2 ASP A 14 5.263 -2.608 16.899 1.00 0.00 O ATOM 0 H ASP A 14 6.185 -3.086 13.055 1.00 0.00 H new ATOM 0 HA ASP A 14 4.100 -1.535 14.162 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.132 -1.516 14.536 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.023 -0.602 15.539 1.00 0.00 H new ATOM 220 N SER A 15 5.754 -0.109 11.816 1.00 0.00 N ATOM 221 CA SER A 15 5.953 0.992 10.880 1.00 0.00 C ATOM 222 C SER A 15 4.776 1.994 10.910 1.00 0.00 C ATOM 223 O SER A 15 3.689 1.650 10.442 1.00 0.00 O ATOM 224 CB SER A 15 6.165 0.369 9.501 1.00 0.00 C ATOM 225 OG SER A 15 7.161 -0.632 9.569 1.00 0.00 O ATOM 0 H SER A 15 6.050 -0.991 11.397 1.00 0.00 H new ATOM 0 HA SER A 15 6.826 1.583 11.158 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.231 -0.060 9.140 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.459 1.138 8.787 1.00 0.00 H new ATOM 0 HG SER A 15 6.864 -1.423 9.073 1.00 0.00 H new ATOM 231 N PRO A 16 4.926 3.202 11.491 1.00 0.00 N ATOM 232 CA PRO A 16 3.834 4.173 11.602 1.00 0.00 C ATOM 233 C PRO A 16 3.553 4.840 10.247 1.00 0.00 C ATOM 234 O PRO A 16 4.501 5.245 9.567 1.00 0.00 O ATOM 235 CB PRO A 16 4.306 5.177 12.660 1.00 0.00 C ATOM 236 CG PRO A 16 5.831 5.143 12.540 1.00 0.00 C ATOM 237 CD PRO A 16 6.118 3.686 12.179 1.00 0.00 C ATOM 0 HA PRO A 16 2.891 3.711 11.892 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.912 6.175 12.469 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.977 4.890 13.659 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.190 5.827 11.771 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.315 5.430 13.473 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.997 3.608 11.539 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.321 3.095 13.072 1.00 0.00 H new ATOM 245 N ILE A 17 2.279 4.991 9.850 1.00 0.00 N ATOM 246 CA ILE A 17 1.913 5.615 8.580 1.00 0.00 C ATOM 247 C ILE A 17 2.439 7.058 8.564 1.00 0.00 C ATOM 248 O ILE A 17 2.386 7.765 9.577 1.00 0.00 O ATOM 249 CB ILE A 17 0.387 5.487 8.317 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.061 5.699 6.823 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.453 6.420 9.199 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.359 5.256 6.442 1.00 0.00 C ATOM 0 H ILE A 17 1.479 4.683 10.403 1.00 0.00 H new ATOM 0 HA ILE A 17 2.384 5.095 7.746 1.00 0.00 H new ATOM 0 HB ILE A 17 0.112 4.469 8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.183 6.754 6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.781 5.146 6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.510 6.284 8.969 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.277 6.184 10.249 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.170 7.455 9.007 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.522 5.432 5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.479 4.194 6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.086 5.827 7.020 1.00 0.00 H new ATOM 264 N SER A 18 2.976 7.486 7.427 1.00 0.00 N ATOM 265 CA SER A 18 3.306 8.866 7.125 1.00 0.00 C ATOM 266 C SER A 18 2.010 9.602 6.763 1.00 0.00 C ATOM 267 O SER A 18 0.902 9.195 7.120 1.00 0.00 O ATOM 268 CB SER A 18 4.321 8.901 5.971 1.00 0.00 C ATOM 269 OG SER A 18 4.950 10.172 5.856 1.00 0.00 O ATOM 0 H SER A 18 3.201 6.851 6.661 1.00 0.00 H new ATOM 0 HA SER A 18 3.760 9.361 7.983 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.079 8.134 6.131 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.816 8.660 5.036 1.00 0.00 H new ATOM 0 HG SER A 18 5.589 10.155 5.113 1.00 0.00 H new ATOM 275 N GLU A 19 2.165 10.730 6.077 1.00 0.00 N ATOM 276 CA GLU A 19 1.071 11.627 5.742 1.00 0.00 C ATOM 277 C GLU A 19 0.970 11.771 4.228 1.00 0.00 C ATOM 278 O GLU A 19 -0.077 11.578 3.603 1.00 0.00 O ATOM 279 CB GLU A 19 1.295 12.967 6.448 1.00 0.00 C ATOM 280 CG GLU A 19 1.110 12.829 7.966 1.00 0.00 C ATOM 281 CD GLU A 19 1.423 14.150 8.652 1.00 0.00 C ATOM 282 OE1 GLU A 19 0.517 15.010 8.769 1.00 0.00 O ATOM 283 OE2 GLU A 19 2.592 14.374 9.032 1.00 0.00 O ATOM 0 H GLU A 19 3.071 11.049 5.734 1.00 0.00 H new ATOM 0 HA GLU A 19 0.119 11.224 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.299 13.332 6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.596 13.708 6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.087 12.527 8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.764 12.046 8.350 1.00 0.00 H new ATOM 290 N HIS A 20 2.110 12.118 3.641 1.00 0.00 N ATOM 291 CA HIS A 20 2.277 12.358 2.222 1.00 0.00 C ATOM 292 C HIS A 20 2.319 11.001 1.487 1.00 0.00 C ATOM 293 O HIS A 20 2.212 9.936 2.102 1.00 0.00 O ATOM 294 CB HIS A 20 3.559 13.202 2.077 1.00 0.00 C ATOM 295 CG HIS A 20 3.551 14.506 2.828 1.00 0.00 C ATOM 296 ND1 HIS A 20 2.817 15.627 2.498 1.00 0.00 N ATOM 297 CD2 HIS A 20 4.212 14.748 4.003 1.00 0.00 C ATOM 298 CE1 HIS A 20 3.018 16.531 3.476 1.00 0.00 C ATOM 299 NE2 HIS A 20 3.848 16.014 4.405 1.00 0.00 N ATOM 0 H HIS A 20 2.975 12.243 4.167 1.00 0.00 H new ATOM 0 HA HIS A 20 1.453 12.909 1.768 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.407 12.609 2.419 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.721 13.410 1.019 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.887 14.077 4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.582 17.518 3.511 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.154 16.481 5.259 1.00 0.00 H new ATOM 308 N PHE A 21 2.451 11.014 0.158 1.00 0.00 N ATOM 309 CA PHE A 21 2.926 9.849 -0.602 1.00 0.00 C ATOM 310 C PHE A 21 4.185 10.190 -1.388 1.00 0.00 C ATOM 311 O PHE A 21 5.160 9.445 -1.333 1.00 0.00 O ATOM 312 CB PHE A 21 1.815 9.315 -1.497 1.00 0.00 C ATOM 313 CG PHE A 21 2.235 8.175 -2.404 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.774 8.446 -3.680 1.00 0.00 C ATOM 315 CD2 PHE A 21 2.104 6.843 -1.971 1.00 0.00 C ATOM 316 CE1 PHE A 21 3.190 7.394 -4.512 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.555 5.794 -2.789 1.00 0.00 C ATOM 318 CZ PHE A 21 3.115 6.073 -4.047 1.00 0.00 C ATOM 0 H PHE A 21 2.234 11.825 -0.421 1.00 0.00 H new ATOM 0 HA PHE A 21 3.195 9.056 0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.990 8.979 -0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.436 10.132 -2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.867 9.467 -4.018 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.658 6.627 -1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.565 7.601 -5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.471 4.772 -2.451 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.490 5.266 -4.659 1.00 0.00 H new ATOM 328 N GLY A 22 4.183 11.326 -2.086 1.00 0.00 N ATOM 329 CA GLY A 22 5.254 11.716 -3.001 1.00 0.00 C ATOM 330 C GLY A 22 6.686 11.573 -2.475 1.00 0.00 C ATOM 331 O GLY A 22 7.543 11.095 -3.214 1.00 0.00 O ATOM 0 H GLY A 22 3.428 12.009 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.162 11.119 -3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.097 12.756 -3.287 1.00 0.00 H new ATOM 335 N ARG A 23 6.946 11.952 -1.217 1.00 0.00 N ATOM 336 CA ARG A 23 8.262 11.871 -0.572 1.00 0.00 C ATOM 337 C ARG A 23 8.271 10.862 0.576 1.00 0.00 C ATOM 338 O ARG A 23 8.783 11.135 1.662 1.00 0.00 O ATOM 339 CB ARG A 23 8.777 13.266 -0.170 1.00 0.00 C ATOM 340 CG ARG A 23 7.923 14.044 0.855 1.00 0.00 C ATOM 341 CD ARG A 23 6.941 15.010 0.174 1.00 0.00 C ATOM 342 NE ARG A 23 6.444 16.065 1.079 1.00 0.00 N ATOM 343 CZ ARG A 23 7.122 17.174 1.414 1.00 0.00 C ATOM 344 NH1 ARG A 23 8.415 17.290 1.132 1.00 0.00 N ATOM 345 NH2 ARG A 23 6.503 18.177 2.020 1.00 0.00 N ATOM 0 H ARG A 23 6.226 12.334 -0.603 1.00 0.00 H new ATOM 0 HA ARG A 23 8.973 11.487 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.782 13.155 0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.863 13.871 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.367 13.339 1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.579 14.604 1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.432 15.475 -0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.094 14.444 -0.214 1.00 0.00 H new ATOM 0 HE ARG A 23 5.514 15.942 1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.903 16.531 0.656 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.920 18.138 1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.508 18.108 2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.022 19.018 2.273 1.00 0.00 H new ATOM 359 N ALA A 24 7.625 9.720 0.360 1.00 0.00 N ATOM 360 CA ALA A 24 7.487 8.666 1.350 1.00 0.00 C ATOM 361 C ALA A 24 8.857 7.997 1.461 1.00 0.00 C ATOM 362 O ALA A 24 9.282 7.470 0.436 1.00 0.00 O ATOM 363 CB ALA A 24 6.466 7.656 0.812 1.00 0.00 C ATOM 0 H ALA A 24 7.175 9.500 -0.528 1.00 0.00 H new ATOM 0 HA ALA A 24 7.158 9.040 2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.338 6.849 1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.510 8.155 0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.823 7.246 -0.133 1.00 0.00 H new ATOM 369 N PRO A 25 9.556 7.999 2.608 1.00 0.00 N ATOM 370 CA PRO A 25 10.878 7.382 2.713 1.00 0.00 C ATOM 371 C PRO A 25 10.859 5.855 2.572 1.00 0.00 C ATOM 372 O PRO A 25 11.910 5.267 2.315 1.00 0.00 O ATOM 373 CB PRO A 25 11.427 7.798 4.081 1.00 0.00 C ATOM 374 CG PRO A 25 10.189 8.181 4.890 1.00 0.00 C ATOM 375 CD PRO A 25 9.222 8.696 3.837 1.00 0.00 C ATOM 0 HA PRO A 25 11.507 7.723 1.891 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.973 6.982 4.554 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.118 8.636 3.993 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.780 7.325 5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.416 8.945 5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.190 8.501 4.127 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.320 9.774 3.712 1.00 0.00 H new ATOM 383 N TYR A 26 9.698 5.217 2.733 1.00 0.00 N ATOM 384 CA TYR A 26 9.501 3.793 2.528 1.00 0.00 C ATOM 385 C TYR A 26 8.061 3.557 2.047 1.00 0.00 C ATOM 386 O TYR A 26 7.173 4.380 2.334 1.00 0.00 O ATOM 387 CB TYR A 26 9.718 3.032 3.845 1.00 0.00 C ATOM 388 CG TYR A 26 10.959 3.313 4.668 1.00 0.00 C ATOM 389 CD1 TYR A 26 11.025 4.433 5.520 1.00 0.00 C ATOM 390 CD2 TYR A 26 12.025 2.401 4.639 1.00 0.00 C ATOM 391 CE1 TYR A 26 12.172 4.663 6.299 1.00 0.00 C ATOM 392 CE2 TYR A 26 13.175 2.622 5.412 1.00 0.00 C ATOM 393 CZ TYR A 26 13.251 3.752 6.253 1.00 0.00 C ATOM 394 OH TYR A 26 14.346 3.969 7.027 1.00 0.00 O ATOM 0 H TYR A 26 8.846 5.699 3.019 1.00 0.00 H new ATOM 0 HA TYR A 26 10.215 3.434 1.787 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.853 3.224 4.480 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.713 1.967 3.613 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.191 5.117 5.575 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.960 1.521 4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.229 5.536 6.933 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.001 1.928 5.363 1.00 0.00 H new ATOM 0 HH TYR A 26 14.997 3.252 6.881 1.00 0.00 H new ATOM 404 N PHE A 27 7.824 2.409 1.404 1.00 0.00 N ATOM 405 CA PHE A 27 6.512 1.878 1.034 1.00 0.00 C ATOM 406 C PHE A 27 6.417 0.469 1.590 1.00 0.00 C ATOM 407 O PHE A 27 7.340 -0.325 1.426 1.00 0.00 O ATOM 408 CB PHE A 27 6.294 1.848 -0.493 1.00 0.00 C ATOM 409 CG PHE A 27 6.157 3.217 -1.143 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.277 4.180 -0.615 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.915 3.539 -2.283 1.00 0.00 C ATOM 412 CE1 PHE A 27 5.187 5.449 -1.209 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.809 4.799 -2.894 1.00 0.00 C ATOM 414 CZ PHE A 27 5.946 5.765 -2.347 1.00 0.00 C ATOM 0 H PHE A 27 8.584 1.794 1.113 1.00 0.00 H new ATOM 0 HA PHE A 27 5.741 2.529 1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.130 1.323 -0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.396 1.268 -0.707 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.671 3.943 0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.590 2.804 -2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.526 6.191 -0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.387 5.025 -3.778 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.868 6.743 -2.799 1.00 0.00 H new ATOM 424 N ALA A 28 5.344 0.167 2.311 1.00 0.00 N ATOM 425 CA ALA A 28 5.054 -1.165 2.799 1.00 0.00 C ATOM 426 C ALA A 28 3.969 -1.717 1.901 1.00 0.00 C ATOM 427 O ALA A 28 2.794 -1.478 2.156 1.00 0.00 O ATOM 428 CB ALA A 28 4.641 -1.112 4.273 1.00 0.00 C ATOM 0 H ALA A 28 4.641 0.858 2.575 1.00 0.00 H new ATOM 0 HA ALA A 28 5.926 -1.818 2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.426 -2.120 4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.452 -0.686 4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.751 -0.492 4.379 1.00 0.00 H new ATOM 434 N PHE A 29 4.356 -2.369 0.806 1.00 0.00 N ATOM 435 CA PHE A 29 3.445 -3.176 0.013 1.00 0.00 C ATOM 436 C PHE A 29 3.221 -4.468 0.802 1.00 0.00 C ATOM 437 O PHE A 29 3.976 -5.438 0.706 1.00 0.00 O ATOM 438 CB PHE A 29 3.969 -3.370 -1.423 1.00 0.00 C ATOM 439 CG PHE A 29 3.394 -2.389 -2.451 1.00 0.00 C ATOM 440 CD1 PHE A 29 1.999 -2.303 -2.656 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.229 -1.565 -3.234 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.438 -1.340 -3.495 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.658 -0.682 -4.175 1.00 0.00 C ATOM 444 CZ PHE A 29 2.264 -0.514 -4.259 1.00 0.00 C ATOM 0 H PHE A 29 5.311 -2.349 0.448 1.00 0.00 H new ATOM 0 HA PHE A 29 2.482 -2.689 -0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.055 -3.273 -1.416 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.742 -4.387 -1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.349 -3.002 -2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.301 -1.610 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.365 -1.234 -3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.301 -0.126 -4.841 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.840 0.241 -4.904 1.00 0.00 H new ATOM 454 N VAL A 30 2.180 -4.466 1.627 1.00 0.00 N ATOM 455 CA VAL A 30 1.690 -5.645 2.325 1.00 0.00 C ATOM 456 C VAL A 30 0.866 -6.431 1.308 1.00 0.00 C ATOM 457 O VAL A 30 0.482 -5.891 0.268 1.00 0.00 O ATOM 458 CB VAL A 30 0.816 -5.237 3.533 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.710 -6.393 4.539 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.377 -4.022 4.284 1.00 0.00 C ATOM 0 H VAL A 30 1.642 -3.624 1.833 1.00 0.00 H new ATOM 0 HA VAL A 30 2.513 -6.244 2.715 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.161 -4.982 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.091 -6.086 5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.258 -7.258 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.705 -6.656 4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.724 -3.779 5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.375 -4.253 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.431 -3.169 3.607 1.00 0.00 H new ATOM 470 N LYS A 31 0.596 -7.709 1.551 1.00 0.00 N ATOM 471 CA LYS A 31 -0.165 -8.531 0.608 1.00 0.00 C ATOM 472 C LYS A 31 -1.458 -8.984 1.285 1.00 0.00 C ATOM 473 O LYS A 31 -1.838 -8.429 2.323 1.00 0.00 O ATOM 474 CB LYS A 31 0.773 -9.608 0.019 1.00 0.00 C ATOM 475 CG LYS A 31 2.078 -8.935 -0.458 1.00 0.00 C ATOM 476 CD LYS A 31 2.841 -9.630 -1.581 1.00 0.00 C ATOM 477 CE LYS A 31 4.094 -8.785 -1.869 1.00 0.00 C ATOM 478 NZ LYS A 31 4.884 -9.281 -3.014 1.00 0.00 N ATOM 0 H LYS A 31 0.892 -8.202 2.394 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.515 -7.992 -0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.994 -10.366 0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.286 -10.116 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.838 -7.924 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.745 -8.842 0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.119 -10.643 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.220 -9.715 -2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.793 -7.756 -2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.725 -8.770 -0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.713 -8.669 -3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.200 -10.253 -2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.296 -9.271 -3.872 1.00 0.00 H new ATOM 492 N VAL A 32 -2.189 -9.939 0.714 1.00 0.00 N ATOM 493 CA VAL A 32 -3.242 -10.622 1.457 1.00 0.00 C ATOM 494 C VAL A 32 -3.337 -12.076 0.999 1.00 0.00 C ATOM 495 O VAL A 32 -3.296 -12.377 -0.195 1.00 0.00 O ATOM 496 CB VAL A 32 -4.573 -9.828 1.394 1.00 0.00 C ATOM 497 CG1 VAL A 32 -5.026 -9.543 -0.041 1.00 0.00 C ATOM 498 CG2 VAL A 32 -5.726 -10.487 2.168 1.00 0.00 C ATOM 0 H VAL A 32 -2.073 -10.254 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.994 -10.657 2.518 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.338 -8.884 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.962 -8.985 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.264 -8.956 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.175 -10.485 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.622 -9.874 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.921 -11.478 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.453 -10.578 3.219 1.00 0.00 H new ATOM 508 N LYS A 33 -3.468 -12.988 1.963 1.00 0.00 N ATOM 509 CA LYS A 33 -3.818 -14.386 1.777 1.00 0.00 C ATOM 510 C LYS A 33 -5.245 -14.494 2.274 1.00 0.00 C ATOM 511 O LYS A 33 -5.445 -14.706 3.468 1.00 0.00 O ATOM 512 CB LYS A 33 -2.878 -15.306 2.584 1.00 0.00 C ATOM 513 CG LYS A 33 -3.231 -16.801 2.509 1.00 0.00 C ATOM 514 CD LYS A 33 -2.815 -17.511 1.215 1.00 0.00 C ATOM 515 CE LYS A 33 -3.767 -17.274 0.033 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.597 -18.312 -1.002 1.00 0.00 N ATOM 0 H LYS A 33 -3.324 -12.753 2.945 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.720 -14.699 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.858 -15.168 2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.893 -14.994 3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.761 -17.311 3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.309 -16.909 2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.816 -17.176 0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.751 -18.582 1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.798 -17.274 0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.578 -16.291 -0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.252 -18.128 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.619 -18.294 -1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.801 -19.246 -0.593 1.00 0.00 H new ATOM 530 N ASN A 34 -6.215 -14.330 1.378 1.00 0.00 N ATOM 531 CA ASN A 34 -7.657 -14.369 1.614 1.00 0.00 C ATOM 532 C ASN A 34 -8.153 -13.370 2.670 1.00 0.00 C ATOM 533 O ASN A 34 -8.834 -12.415 2.317 1.00 0.00 O ATOM 534 CB ASN A 34 -8.121 -15.808 1.863 1.00 0.00 C ATOM 535 CG ASN A 34 -9.639 -15.877 1.837 1.00 0.00 C ATOM 536 OD1 ASN A 34 -10.274 -15.687 2.870 1.00 0.00 O ATOM 537 ND2 ASN A 34 -10.233 -16.142 0.685 1.00 0.00 N ATOM 0 H ASN A 34 -5.999 -14.154 0.397 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.136 -14.021 0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.706 -16.469 1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.749 -16.157 2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.251 -16.194 0.636 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.673 -16.295 -0.154 1.00 0.00 H new ATOM 544 N ASN A 35 -7.829 -13.560 3.950 1.00 0.00 N ATOM 545 CA ASN A 35 -8.164 -12.659 5.057 1.00 0.00 C ATOM 546 C ASN A 35 -6.974 -12.399 5.992 1.00 0.00 C ATOM 547 O ASN A 35 -7.150 -11.880 7.088 1.00 0.00 O ATOM 548 CB ASN A 35 -9.353 -13.229 5.848 1.00 0.00 C ATOM 549 CG ASN A 35 -10.392 -12.158 6.158 1.00 0.00 C ATOM 550 OD1 ASN A 35 -10.086 -10.991 6.376 1.00 0.00 O ATOM 551 ND2 ASN A 35 -11.664 -12.511 6.113 1.00 0.00 N ATOM 0 H ASN A 35 -7.305 -14.379 4.258 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.435 -11.697 4.623 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.818 -14.032 5.276 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.994 -13.667 6.779 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.393 -11.812 6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.918 -13.482 5.932 1.00 0.00 H new ATOM 558 N ALA A 36 -5.764 -12.792 5.585 1.00 0.00 N ATOM 559 CA ALA A 36 -4.539 -12.680 6.367 1.00 0.00 C ATOM 560 C ALA A 36 -3.481 -11.909 5.582 1.00 0.00 C ATOM 561 O ALA A 36 -3.675 -11.654 4.400 1.00 0.00 O ATOM 562 CB ALA A 36 -4.026 -14.081 6.674 1.00 0.00 C ATOM 0 H ALA A 36 -5.610 -13.211 4.668 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.746 -12.144 7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.109 -14.013 7.259 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.779 -14.628 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.823 -14.607 5.741 1.00 0.00 H new ATOM 568 N ILE A 37 -2.337 -11.589 6.187 1.00 0.00 N ATOM 569 CA ILE A 37 -1.344 -10.659 5.644 1.00 0.00 C ATOM 570 C ILE A 37 -0.671 -11.179 4.369 1.00 0.00 C ATOM 571 O ILE A 37 -0.213 -10.367 3.571 1.00 0.00 O ATOM 572 CB ILE A 37 -0.336 -10.313 6.775 1.00 0.00 C ATOM 573 CG1 ILE A 37 -0.878 -9.231 7.735 1.00 0.00 C ATOM 574 CG2 ILE A 37 1.030 -9.798 6.284 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.213 -9.522 8.426 1.00 0.00 C ATOM 0 H ILE A 37 -2.068 -11.978 7.090 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.842 -9.745 5.320 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.203 -11.272 7.277 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.128 -9.056 8.506 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.982 -8.302 7.175 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.667 -9.582 7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.503 -10.558 5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.888 -8.889 5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.479 -8.684 9.071 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.989 -9.662 7.674 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.122 -10.427 9.026 1.00 0.00 H new ATOM 587 N ALA A 38 -0.639 -12.492 4.120 1.00 0.00 N ATOM 588 CA ALA A 38 0.251 -13.158 3.163 1.00 0.00 C ATOM 589 C ALA A 38 1.739 -12.851 3.376 1.00 0.00 C ATOM 590 O ALA A 38 2.513 -13.786 3.579 1.00 0.00 O ATOM 591 CB ALA A 38 -0.131 -12.864 1.703 1.00 0.00 C ATOM 0 H ALA A 38 -1.257 -13.147 4.599 1.00 0.00 H new ATOM 0 HA ALA A 38 0.107 -14.220 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.559 -13.380 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.147 -13.212 1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.076 -11.791 1.522 1.00 0.00 H new ATOM 597 N ASP A 39 2.170 -11.606 3.189 1.00 0.00 N ATOM 598 CA ASP A 39 3.566 -11.196 3.140 1.00 0.00 C ATOM 599 C ASP A 39 3.671 -9.684 3.353 1.00 0.00 C ATOM 600 O ASP A 39 2.680 -8.963 3.218 1.00 0.00 O ATOM 601 CB ASP A 39 4.108 -11.545 1.748 1.00 0.00 C ATOM 602 CG ASP A 39 5.629 -11.587 1.638 1.00 0.00 C ATOM 603 OD1 ASP A 39 6.370 -11.437 2.634 1.00 0.00 O ATOM 604 OD2 ASP A 39 6.104 -11.766 0.493 1.00 0.00 O ATOM 0 H ASP A 39 1.527 -10.824 3.062 1.00 0.00 H new ATOM 0 HA ASP A 39 4.135 -11.704 3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.711 -12.516 1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.727 -10.815 1.033 1.00 0.00 H new ATOM 609 N ILE A 40 4.886 -9.199 3.597 1.00 0.00 N ATOM 610 CA ILE A 40 5.263 -7.798 3.697 1.00 0.00 C ATOM 611 C ILE A 40 6.389 -7.594 2.677 1.00 0.00 C ATOM 612 O ILE A 40 7.305 -8.418 2.574 1.00 0.00 O ATOM 613 CB ILE A 40 5.736 -7.490 5.143 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.607 -7.587 6.207 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.522 -6.168 5.226 1.00 0.00 C ATOM 616 CD1 ILE A 40 4.031 -6.264 6.739 1.00 0.00 C ATOM 0 H ILE A 40 5.684 -9.819 3.739 1.00 0.00 H new ATOM 0 HA ILE A 40 4.432 -7.125 3.487 1.00 0.00 H new ATOM 0 HB ILE A 40 6.432 -8.288 5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.788 -8.165 5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.989 -8.155 7.055 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.833 -5.994 6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.403 -6.228 4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.888 -5.346 4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.253 -6.475 7.473 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.825 -5.684 7.209 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.605 -5.694 5.913 1.00 0.00 H new ATOM 628 N SER A 41 6.350 -6.474 1.963 1.00 0.00 N ATOM 629 CA SER A 41 7.480 -5.867 1.293 1.00 0.00 C ATOM 630 C SER A 41 7.650 -4.481 1.890 1.00 0.00 C ATOM 631 O SER A 41 6.913 -3.564 1.535 1.00 0.00 O ATOM 632 CB SER A 41 7.228 -5.835 -0.208 1.00 0.00 C ATOM 633 OG SER A 41 7.715 -7.043 -0.743 1.00 0.00 O ATOM 0 H SER A 41 5.487 -5.945 1.834 1.00 0.00 H new ATOM 0 HA SER A 41 8.400 -6.434 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.164 -5.725 -0.416 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.732 -4.983 -0.664 1.00 0.00 H new ATOM 0 HG SER A 41 7.566 -7.055 -1.712 1.00 0.00 H new ATOM 639 N VAL A 42 8.554 -4.347 2.863 1.00 0.00 N ATOM 640 CA VAL A 42 8.867 -3.070 3.485 1.00 0.00 C ATOM 641 C VAL A 42 10.054 -2.467 2.728 1.00 0.00 C ATOM 642 O VAL A 42 11.217 -2.531 3.127 1.00 0.00 O ATOM 643 CB VAL A 42 8.971 -3.213 5.016 1.00 0.00 C ATOM 644 CG1 VAL A 42 10.152 -4.027 5.562 1.00 0.00 C ATOM 645 CG2 VAL A 42 8.879 -1.820 5.641 1.00 0.00 C ATOM 0 H VAL A 42 9.089 -5.129 3.240 1.00 0.00 H new ATOM 0 HA VAL A 42 8.068 -2.335 3.394 1.00 0.00 H new ATOM 0 HB VAL A 42 8.128 -3.835 5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.106 -4.049 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.101 -5.045 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.088 -3.566 5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.951 -1.902 6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.695 -1.200 5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.926 -1.364 5.374 1.00 0.00 H new ATOM 655 N GLU A 43 9.733 -1.918 1.569 1.00 0.00 N ATOM 656 CA GLU A 43 10.669 -1.397 0.596 1.00 0.00 C ATOM 657 C GLU A 43 11.094 -0.011 1.084 1.00 0.00 C ATOM 658 O GLU A 43 10.227 0.829 1.347 1.00 0.00 O ATOM 659 CB GLU A 43 9.925 -1.293 -0.753 1.00 0.00 C ATOM 660 CG GLU A 43 9.356 -2.629 -1.292 1.00 0.00 C ATOM 661 CD GLU A 43 8.120 -2.466 -2.198 1.00 0.00 C ATOM 662 OE1 GLU A 43 7.840 -1.334 -2.652 1.00 0.00 O ATOM 663 OE2 GLU A 43 7.482 -3.497 -2.517 1.00 0.00 O ATOM 0 H GLU A 43 8.763 -1.820 1.269 1.00 0.00 H new ATOM 0 HA GLU A 43 11.548 -2.031 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.105 -0.584 -0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.607 -0.880 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.137 -3.145 -1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.093 -3.267 -0.448 1.00 0.00 H new ATOM 670 N GLU A 44 12.390 0.286 1.189 1.00 0.00 N ATOM 671 CA GLU A 44 12.840 1.673 1.190 1.00 0.00 C ATOM 672 C GLU A 44 12.428 2.322 -0.130 1.00 0.00 C ATOM 673 O GLU A 44 12.201 1.618 -1.124 1.00 0.00 O ATOM 674 CB GLU A 44 14.362 1.745 1.348 1.00 0.00 C ATOM 675 CG GLU A 44 14.833 1.024 2.612 1.00 0.00 C ATOM 676 CD GLU A 44 15.367 -0.391 2.390 1.00 0.00 C ATOM 677 OE1 GLU A 44 14.858 -1.116 1.507 1.00 0.00 O ATOM 678 OE2 GLU A 44 16.205 -0.813 3.222 1.00 0.00 O ATOM 0 H GLU A 44 13.135 -0.406 1.273 1.00 0.00 H new ATOM 0 HA GLU A 44 12.383 2.200 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.840 1.300 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.675 2.788 1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.614 1.621 3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.002 0.976 3.315 1.00 0.00 H new ATOM 685 N ASN A 45 12.421 3.653 -0.203 1.00 0.00 N ATOM 686 CA ASN A 45 11.937 4.336 -1.372 1.00 0.00 C ATOM 687 C ASN A 45 12.999 4.295 -2.457 1.00 0.00 C ATOM 688 O ASN A 45 14.194 4.258 -2.164 1.00 0.00 O ATOM 689 CB ASN A 45 11.760 5.815 -1.021 1.00 0.00 C ATOM 690 CG ASN A 45 13.086 6.550 -0.778 1.00 0.00 C ATOM 691 OD1 ASN A 45 13.596 7.224 -1.670 1.00 0.00 O ATOM 692 ND2 ASN A 45 13.643 6.474 0.419 1.00 0.00 N ATOM 0 H ASN A 45 12.748 4.268 0.542 1.00 0.00 H new ATOM 0 HA ASN A 45 11.010 3.868 -1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.222 6.310 -1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.140 5.897 -0.128 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.508 6.979 0.612 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.208 5.910 1.149 1.00 0.00 H new ATOM 699 N PRO A 46 12.580 4.367 -3.720 1.00 0.00 N ATOM 700 CA PRO A 46 13.520 4.544 -4.799 1.00 0.00 C ATOM 701 C PRO A 46 13.956 6.009 -4.910 1.00 0.00 C ATOM 702 O PRO A 46 15.147 6.279 -5.028 1.00 0.00 O ATOM 703 CB PRO A 46 12.774 4.043 -6.034 1.00 0.00 C ATOM 704 CG PRO A 46 11.315 4.368 -5.703 1.00 0.00 C ATOM 705 CD PRO A 46 11.234 4.111 -4.207 1.00 0.00 C ATOM 0 HA PRO A 46 14.450 3.995 -4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 46 13.106 4.550 -6.940 1.00 0.00 H new ATOM 0 HB3 PRO A 46 12.925 2.975 -6.192 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.067 5.401 -5.948 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.625 3.733 -6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 46 10.508 4.769 -3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.924 3.088 -3.996 1.00 0.00 H new ATOM 713 N LEU A 47 13.011 6.964 -4.987 1.00 0.00 N ATOM 714 CA LEU A 47 13.312 8.326 -5.447 1.00 0.00 C ATOM 715 C LEU A 47 12.553 9.377 -4.616 1.00 0.00 C ATOM 716 O LEU A 47 12.073 10.370 -5.175 1.00 0.00 O ATOM 717 CB LEU A 47 12.934 8.497 -6.925 1.00 0.00 C ATOM 718 CG LEU A 47 13.434 7.412 -7.890 1.00 0.00 C ATOM 719 CD1 LEU A 47 12.233 6.695 -8.468 1.00 0.00 C ATOM 720 CD2 LEU A 47 14.243 8.011 -9.021 1.00 0.00 C ATOM 0 H LEU A 47 12.034 6.814 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 47 14.384 8.478 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.847 8.542 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 47 13.316 9.459 -7.266 1.00 0.00 H new ATOM 0 HG LEU A 47 14.075 6.723 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.569 5.920 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.658 6.240 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.606 7.408 -9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.582 7.217 -9.686 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.623 8.712 -9.580 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.107 8.536 -8.612 1.00 0.00 H new ATOM 732 N ALA A 48 12.418 9.198 -3.301 1.00 0.00 N ATOM 733 CA ALA A 48 11.399 9.875 -2.502 1.00 0.00 C ATOM 734 C ALA A 48 11.599 11.387 -2.561 1.00 0.00 C ATOM 735 O ALA A 48 10.631 12.125 -2.760 1.00 0.00 O ATOM 736 CB ALA A 48 11.379 9.349 -1.056 1.00 0.00 C ATOM 0 H ALA A 48 13.017 8.575 -2.759 1.00 0.00 H new ATOM 0 HA ALA A 48 10.420 9.652 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.610 9.873 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.162 8.281 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.351 9.520 -0.593 1.00 0.00 H new ATOM 742 N GLN A 49 12.846 11.855 -2.490 1.00 0.00 N ATOM 743 CA GLN A 49 13.158 13.283 -2.542 1.00 0.00 C ATOM 744 C GLN A 49 14.180 13.632 -3.632 1.00 0.00 C ATOM 745 O GLN A 49 14.747 14.724 -3.633 1.00 0.00 O ATOM 746 CB GLN A 49 13.470 13.804 -1.128 1.00 0.00 C ATOM 747 CG GLN A 49 14.831 13.393 -0.542 1.00 0.00 C ATOM 748 CD GLN A 49 14.837 13.498 0.985 1.00 0.00 C ATOM 749 OE1 GLN A 49 14.103 14.289 1.577 1.00 0.00 O ATOM 750 NE2 GLN A 49 15.624 12.676 1.661 1.00 0.00 N ATOM 0 H GLN A 49 13.666 11.256 -2.395 1.00 0.00 H new ATOM 0 HA GLN A 49 12.277 13.835 -2.870 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.418 14.893 -1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.687 13.457 -0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 49 15.062 12.370 -0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.614 14.029 -0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.229 12.024 1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 49 15.625 12.695 2.681 1.00 0.00 H new ATOM 759 N ASP A 50 14.354 12.718 -4.593 1.00 0.00 N ATOM 760 CA ASP A 50 15.420 12.670 -5.602 1.00 0.00 C ATOM 761 C ASP A 50 15.573 14.007 -6.331 1.00 0.00 C ATOM 762 O ASP A 50 16.568 14.699 -6.149 1.00 0.00 O ATOM 763 CB ASP A 50 15.119 11.505 -6.557 1.00 0.00 C ATOM 764 CG ASP A 50 15.958 11.492 -7.837 1.00 0.00 C ATOM 765 OD1 ASP A 50 15.605 12.228 -8.782 1.00 0.00 O ATOM 766 OD2 ASP A 50 16.902 10.682 -7.960 1.00 0.00 O ATOM 0 H ASP A 50 13.707 11.936 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 50 16.383 12.497 -5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.278 10.567 -6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.065 11.541 -6.831 1.00 0.00 H new ATOM 771 N HIS A 51 14.572 14.402 -7.119 1.00 0.00 N ATOM 772 CA HIS A 51 14.494 15.690 -7.821 1.00 0.00 C ATOM 773 C HIS A 51 13.035 16.131 -7.915 1.00 0.00 C ATOM 774 O HIS A 51 12.650 16.815 -8.864 1.00 0.00 O ATOM 775 CB HIS A 51 15.148 15.575 -9.215 1.00 0.00 C ATOM 776 CG HIS A 51 16.270 16.547 -9.440 1.00 0.00 C ATOM 777 ND1 HIS A 51 17.579 16.196 -9.711 1.00 0.00 N ATOM 778 CD2 HIS A 51 16.192 17.910 -9.350 1.00 0.00 C ATOM 779 CE1 HIS A 51 18.296 17.333 -9.743 1.00 0.00 C ATOM 780 NE2 HIS A 51 17.475 18.383 -9.541 1.00 0.00 N ATOM 0 H HIS A 51 13.759 13.812 -7.295 1.00 0.00 H new ATOM 0 HA HIS A 51 15.043 16.449 -7.264 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.526 14.561 -9.346 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.385 15.732 -9.978 1.00 0.00 H new ATOM 0 HD2 HIS A 51 15.305 18.498 -9.166 1.00 0.00 H new ATOM 0 HE1 HIS A 51 19.362 17.395 -9.905 1.00 0.00 H new ATOM 0 HE2 HIS A 51 17.755 19.364 -9.531 1.00 0.00 H new ATOM 789 N VAL A 52 12.208 15.629 -6.995 1.00 0.00 N ATOM 790 CA VAL A 52 10.757 15.545 -7.096 1.00 0.00 C ATOM 791 C VAL A 52 10.308 15.122 -8.511 1.00 0.00 C ATOM 792 O VAL A 52 9.436 15.726 -9.148 1.00 0.00 O ATOM 793 CB VAL A 52 10.081 16.794 -6.492 1.00 0.00 C ATOM 794 CG1 VAL A 52 10.402 16.888 -4.991 1.00 0.00 C ATOM 795 CG2 VAL A 52 10.480 18.129 -7.134 1.00 0.00 C ATOM 0 H VAL A 52 12.556 15.251 -6.114 1.00 0.00 H new ATOM 0 HA VAL A 52 10.391 14.731 -6.470 1.00 0.00 H new ATOM 0 HB VAL A 52 9.018 16.651 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.922 17.772 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.031 15.998 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.481 16.961 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.951 18.943 -6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.555 18.277 -7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.218 18.117 -8.192 1.00 0.00 H new ATOM 805 N HIS A 53 10.942 14.063 -9.025 1.00 0.00 N ATOM 806 CA HIS A 53 10.589 13.459 -10.303 1.00 0.00 C ATOM 807 C HIS A 53 9.217 12.781 -10.185 1.00 0.00 C ATOM 808 O HIS A 53 8.705 12.544 -9.088 1.00 0.00 O ATOM 809 CB HIS A 53 11.705 12.487 -10.761 1.00 0.00 C ATOM 810 CG HIS A 53 12.932 13.159 -11.338 1.00 0.00 C ATOM 811 ND1 HIS A 53 14.257 12.761 -11.198 1.00 0.00 N ATOM 812 CD2 HIS A 53 12.906 14.221 -12.198 1.00 0.00 C ATOM 813 CE1 HIS A 53 15.008 13.577 -11.965 1.00 0.00 C ATOM 814 NE2 HIS A 53 14.209 14.473 -12.575 1.00 0.00 N ATOM 0 H HIS A 53 11.721 13.601 -8.557 1.00 0.00 H new ATOM 0 HA HIS A 53 10.508 14.225 -11.074 1.00 0.00 H new ATOM 0 HB2 HIS A 53 12.008 11.877 -9.910 1.00 0.00 H new ATOM 0 HB3 HIS A 53 11.293 11.809 -11.509 1.00 0.00 H new ATOM 0 HD1 HIS A 53 14.598 11.992 -10.621 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.029 14.762 -12.522 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.081 13.521 -12.073 1.00 0.00 H new ATOM 823 N GLY A 54 8.633 12.426 -11.322 1.00 0.00 N ATOM 824 CA GLY A 54 7.412 11.645 -11.448 1.00 0.00 C ATOM 825 C GLY A 54 7.707 10.149 -11.532 1.00 0.00 C ATOM 826 O GLY A 54 6.890 9.417 -12.082 1.00 0.00 O ATOM 0 H GLY A 54 9.020 12.690 -12.228 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.764 11.841 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.869 11.960 -12.339 1.00 0.00 H new ATOM 830 N ALA A 55 8.856 9.684 -11.023 1.00 0.00 N ATOM 831 CA ALA A 55 9.326 8.314 -11.202 1.00 0.00 C ATOM 832 C ALA A 55 9.083 7.426 -9.978 1.00 0.00 C ATOM 833 O ALA A 55 8.964 6.215 -10.133 1.00 0.00 O ATOM 834 CB ALA A 55 10.806 8.346 -11.551 1.00 0.00 C ATOM 0 H ALA A 55 9.489 10.261 -10.469 1.00 0.00 H new ATOM 0 HA ALA A 55 8.749 7.869 -12.013 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.170 7.328 -11.687 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.950 8.909 -12.473 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.360 8.824 -10.743 1.00 0.00 H new ATOM 840 N VAL A 56 8.904 7.998 -8.780 1.00 0.00 N ATOM 841 CA VAL A 56 8.459 7.259 -7.596 1.00 0.00 C ATOM 842 C VAL A 56 7.240 6.357 -7.946 1.00 0.00 C ATOM 843 O VAL A 56 7.246 5.187 -7.571 1.00 0.00 O ATOM 844 CB VAL A 56 8.118 8.240 -6.437 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.967 7.813 -5.504 1.00 0.00 C ATOM 846 CG2 VAL A 56 9.336 8.578 -5.581 1.00 0.00 C ATOM 0 H VAL A 56 9.065 8.990 -8.606 1.00 0.00 H new ATOM 0 HA VAL A 56 9.271 6.614 -7.261 1.00 0.00 H new ATOM 0 HB VAL A 56 7.771 9.121 -6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.820 8.573 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.051 7.701 -6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.215 6.863 -5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.043 9.265 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.736 7.665 -5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.099 9.046 -6.203 1.00 0.00 H new ATOM 856 N PRO A 57 6.177 6.852 -8.628 1.00 0.00 N ATOM 857 CA PRO A 57 5.025 6.029 -8.974 1.00 0.00 C ATOM 858 C PRO A 57 5.321 5.068 -10.123 1.00 0.00 C ATOM 859 O PRO A 57 4.572 4.118 -10.306 1.00 0.00 O ATOM 860 CB PRO A 57 3.932 7.002 -9.407 1.00 0.00 C ATOM 861 CG PRO A 57 4.672 8.228 -9.918 1.00 0.00 C ATOM 862 CD PRO A 57 6.002 8.193 -9.174 1.00 0.00 C ATOM 0 HA PRO A 57 4.738 5.416 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.304 6.568 -10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.277 7.256 -8.573 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.817 8.185 -10.997 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.120 9.144 -9.707 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.822 8.440 -9.848 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.011 8.934 -8.375 1.00 0.00 H new ATOM 870 N ASN A 58 6.351 5.323 -10.930 1.00 0.00 N ATOM 871 CA ASN A 58 6.754 4.426 -12.002 1.00 0.00 C ATOM 872 C ASN A 58 7.239 3.112 -11.385 1.00 0.00 C ATOM 873 O ASN A 58 6.832 2.042 -11.832 1.00 0.00 O ATOM 874 CB ASN A 58 7.803 5.103 -12.897 1.00 0.00 C ATOM 875 CG ASN A 58 7.879 4.459 -14.273 1.00 0.00 C ATOM 876 OD1 ASN A 58 7.770 3.249 -14.427 1.00 0.00 O ATOM 877 ND2 ASN A 58 8.071 5.237 -15.321 1.00 0.00 N ATOM 0 H ASN A 58 6.928 6.161 -10.855 1.00 0.00 H new ATOM 0 HA ASN A 58 5.911 4.194 -12.652 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.560 6.160 -13.004 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.780 5.048 -12.416 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.128 4.830 -16.255 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.162 6.245 -15.198 1.00 0.00 H new ATOM 884 N PHE A 59 8.016 3.213 -10.301 1.00 0.00 N ATOM 885 CA PHE A 59 8.414 2.088 -9.465 1.00 0.00 C ATOM 886 C PHE A 59 7.210 1.373 -8.863 1.00 0.00 C ATOM 887 O PHE A 59 7.028 0.197 -9.150 1.00 0.00 O ATOM 888 CB PHE A 59 9.394 2.557 -8.386 1.00 0.00 C ATOM 889 CG PHE A 59 9.501 1.620 -7.198 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.232 0.419 -7.285 1.00 0.00 C ATOM 891 CD2 PHE A 59 8.837 1.950 -6.000 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.324 -0.428 -6.165 1.00 0.00 C ATOM 893 CE2 PHE A 59 8.903 1.082 -4.903 1.00 0.00 C ATOM 894 CZ PHE A 59 9.654 -0.096 -4.974 1.00 0.00 C ATOM 0 H PHE A 59 8.392 4.104 -9.977 1.00 0.00 H new ATOM 0 HA PHE A 59 8.921 1.358 -10.095 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.381 2.674 -8.833 1.00 0.00 H new ATOM 0 HB3 PHE A 59 9.085 3.541 -8.033 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.721 0.149 -8.209 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.278 2.871 -5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.910 -1.334 -6.220 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.370 1.324 -3.995 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.719 -0.749 -4.116 1.00 0.00 H new ATOM 904 N VAL A 60 6.380 2.016 -8.030 1.00 0.00 N ATOM 905 CA VAL A 60 5.315 1.259 -7.356 1.00 0.00 C ATOM 906 C VAL A 60 4.292 0.677 -8.342 1.00 0.00 C ATOM 907 O VAL A 60 3.596 -0.278 -8.000 1.00 0.00 O ATOM 908 CB VAL A 60 4.602 2.070 -6.264 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.427 2.205 -4.964 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.172 3.456 -6.721 1.00 0.00 C ATOM 0 H VAL A 60 6.419 3.012 -7.813 1.00 0.00 H new ATOM 0 HA VAL A 60 5.824 0.428 -6.868 1.00 0.00 H new ATOM 0 HB VAL A 60 3.709 1.483 -6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.865 2.789 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.629 1.214 -4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.370 2.707 -5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.675 3.972 -5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.049 4.025 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.484 3.365 -7.561 1.00 0.00 H new ATOM 920 N LYS A 61 4.186 1.220 -9.557 1.00 0.00 N ATOM 921 CA LYS A 61 3.403 0.626 -10.638 1.00 0.00 C ATOM 922 C LYS A 61 3.947 -0.728 -11.082 1.00 0.00 C ATOM 923 O LYS A 61 3.210 -1.421 -11.775 1.00 0.00 O ATOM 924 CB LYS A 61 3.261 1.567 -11.851 1.00 0.00 C ATOM 925 CG LYS A 61 2.101 2.570 -11.719 1.00 0.00 C ATOM 926 CD LYS A 61 1.923 3.434 -12.970 1.00 0.00 C ATOM 927 CE LYS A 61 3.107 4.375 -13.230 1.00 0.00 C ATOM 928 NZ LYS A 61 2.916 5.171 -14.463 1.00 0.00 N ATOM 0 H LYS A 61 4.646 2.092 -9.818 1.00 0.00 H new ATOM 0 HA LYS A 61 2.410 0.466 -10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.193 2.117 -11.985 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.112 0.968 -12.750 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.177 2.027 -11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.280 3.215 -10.859 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.787 2.785 -13.835 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.013 4.025 -12.868 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.232 5.046 -12.380 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.024 3.791 -13.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.736 5.794 -14.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.822 4.532 -15.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.055 5.747 -14.374 1.00 0.00 H new ATOM 942 N GLU A 62 5.154 -1.145 -10.704 1.00 0.00 N ATOM 943 CA GLU A 62 5.655 -2.484 -10.993 1.00 0.00 C ATOM 944 C GLU A 62 5.388 -3.464 -9.857 1.00 0.00 C ATOM 945 O GLU A 62 5.592 -4.663 -10.031 1.00 0.00 O ATOM 946 CB GLU A 62 7.143 -2.442 -11.380 1.00 0.00 C ATOM 947 CG GLU A 62 8.203 -2.486 -10.251 1.00 0.00 C ATOM 948 CD GLU A 62 9.109 -3.735 -10.216 1.00 0.00 C ATOM 949 OE1 GLU A 62 9.197 -4.482 -11.224 1.00 0.00 O ATOM 950 OE2 GLU A 62 9.775 -3.955 -9.173 1.00 0.00 O ATOM 0 H GLU A 62 5.812 -0.561 -10.188 1.00 0.00 H new ATOM 0 HA GLU A 62 5.098 -2.859 -11.852 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.335 -3.282 -12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.310 -1.532 -11.956 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.838 -1.605 -10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.687 -2.410 -9.294 1.00 0.00 H new ATOM 957 N LYS A 63 4.964 -2.991 -8.680 1.00 0.00 N ATOM 958 CA LYS A 63 4.978 -3.834 -7.479 1.00 0.00 C ATOM 959 C LYS A 63 3.660 -4.592 -7.306 1.00 0.00 C ATOM 960 O LYS A 63 3.246 -4.885 -6.186 1.00 0.00 O ATOM 961 CB LYS A 63 5.315 -2.954 -6.260 1.00 0.00 C ATOM 962 CG LYS A 63 6.648 -2.191 -6.385 1.00 0.00 C ATOM 963 CD LYS A 63 7.879 -3.082 -6.592 1.00 0.00 C ATOM 964 CE LYS A 63 8.298 -3.779 -5.298 1.00 0.00 C ATOM 965 NZ LYS A 63 9.135 -4.970 -5.563 1.00 0.00 N ATOM 0 H LYS A 63 4.612 -2.045 -8.534 1.00 0.00 H new ATOM 0 HA LYS A 63 5.747 -4.600 -7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.510 -2.235 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.350 -3.582 -5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.576 -1.495 -7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.795 -1.594 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.662 -3.830 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.707 -2.478 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.850 -3.079 -4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.410 -4.076 -4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.400 -5.416 -4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.600 -5.649 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.995 -4.683 -6.073 1.00 0.00 H new ATOM 979 N GLY A 64 3.072 -5.039 -8.416 1.00 0.00 N ATOM 980 CA GLY A 64 1.822 -5.786 -8.478 1.00 0.00 C ATOM 981 C GLY A 64 0.686 -5.179 -7.647 1.00 0.00 C ATOM 982 O GLY A 64 -0.149 -5.934 -7.148 1.00 0.00 O ATOM 0 H GLY A 64 3.476 -4.881 -9.339 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.502 -5.851 -9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.003 -6.805 -8.136 1.00 0.00 H new ATOM 986 N ALA A 65 0.662 -3.857 -7.421 1.00 0.00 N ATOM 987 CA ALA A 65 -0.312 -3.266 -6.523 1.00 0.00 C ATOM 988 C ALA A 65 -1.750 -3.444 -7.009 1.00 0.00 C ATOM 989 O ALA A 65 -2.026 -3.506 -8.208 1.00 0.00 O ATOM 990 CB ALA A 65 0.030 -1.806 -6.303 1.00 0.00 C ATOM 0 H ALA A 65 1.305 -3.191 -7.849 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.259 -3.794 -5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.700 -1.359 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.025 -1.727 -5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.012 -1.280 -7.258 1.00 0.00 H new ATOM 996 N GLU A 66 -2.668 -3.458 -6.045 1.00 0.00 N ATOM 997 CA GLU A 66 -4.112 -3.585 -6.236 1.00 0.00 C ATOM 998 C GLU A 66 -4.893 -2.754 -5.218 1.00 0.00 C ATOM 999 O GLU A 66 -6.040 -2.383 -5.484 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.502 -5.061 -6.126 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.700 -5.668 -7.508 1.00 0.00 C ATOM 1002 CD GLU A 66 -4.687 -7.194 -7.461 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -5.339 -7.769 -6.566 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -3.986 -7.819 -8.294 1.00 0.00 O ATOM 0 H GLU A 66 -2.413 -3.377 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.365 -3.205 -7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.727 -5.609 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.420 -5.158 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.647 -5.325 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.913 -5.318 -8.176 1.00 0.00 H new ATOM 1011 N LEU A 67 -4.266 -2.423 -4.086 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.755 -1.399 -3.171 1.00 0.00 C ATOM 1013 C LEU A 67 -3.579 -0.510 -2.740 1.00 0.00 C ATOM 1014 O LEU A 67 -2.405 -0.865 -2.895 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.468 -2.077 -1.977 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.288 -1.162 -1.041 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -7.459 -0.506 -1.772 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -6.834 -1.975 0.133 1.00 0.00 C ATOM 0 H LEU A 67 -3.399 -2.864 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.488 -0.756 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.135 -2.844 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.714 -2.588 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.620 -0.378 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.011 0.129 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.081 0.099 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.122 -1.278 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.411 -1.324 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.476 -2.772 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.005 -2.410 0.691 1.00 0.00 H new ATOM 1030 N VAL A 68 -3.887 0.629 -2.136 1.00 0.00 N ATOM 1031 CA VAL A 68 -2.978 1.486 -1.392 1.00 0.00 C ATOM 1032 C VAL A 68 -3.806 2.003 -0.213 1.00 0.00 C ATOM 1033 O VAL A 68 -5.023 2.159 -0.352 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.478 2.653 -2.272 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.182 3.274 -1.740 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -2.239 2.299 -3.744 1.00 0.00 C ATOM 0 H VAL A 68 -4.837 1.001 -2.154 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.086 0.953 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.305 3.362 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.874 4.089 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.349 3.660 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.400 2.515 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.890 3.182 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.487 1.513 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.170 1.949 -4.190 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.176 2.288 0.924 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.811 2.852 2.103 1.00 0.00 C ATOM 1048 C ILE A 69 -2.889 3.976 2.573 1.00 0.00 C ATOM 1049 O ILE A 69 -1.739 3.732 2.937 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.087 1.781 3.182 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -4.813 0.537 2.623 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.889 2.454 4.302 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -4.986 -0.612 3.634 1.00 0.00 C ATOM 0 H ILE A 69 -2.177 2.126 1.050 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.801 3.249 1.879 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.140 1.401 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.797 0.838 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.258 0.165 1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.103 1.726 5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.309 3.277 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.826 2.839 3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.505 -1.443 3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.007 -0.945 3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.569 -0.262 4.486 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.351 5.217 2.459 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.558 6.432 2.606 1.00 0.00 C ATOM 1067 C VAL A 70 -3.314 7.439 3.478 1.00 0.00 C ATOM 1068 O VAL A 70 -4.459 7.197 3.863 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.208 6.994 1.208 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.589 5.921 0.304 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.418 7.578 0.467 1.00 0.00 C ATOM 0 H VAL A 70 -4.331 5.412 2.253 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.617 6.214 3.111 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.493 7.793 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.357 6.354 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.674 5.544 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.295 5.101 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.102 7.954 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.170 6.801 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.843 8.394 1.051 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.690 8.586 3.764 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.327 9.676 4.495 1.00 0.00 C ATOM 1083 C ARG A 71 -3.709 10.763 3.480 1.00 0.00 C ATOM 1084 O ARG A 71 -4.707 10.564 2.792 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.451 10.059 5.704 1.00 0.00 C ATOM 1086 CG ARG A 71 -3.220 10.652 6.896 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.622 10.219 8.248 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.477 10.666 9.357 1.00 0.00 N ATOM 1089 CZ ARG A 71 -3.417 10.219 10.613 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -2.376 9.513 11.035 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -4.415 10.454 11.456 1.00 0.00 N ATOM 0 H ARG A 71 -1.726 8.781 3.493 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.274 9.414 4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.914 9.172 6.041 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.702 10.781 5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.210 11.740 6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.263 10.339 6.845 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.518 9.134 8.276 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.622 10.638 8.361 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.176 11.379 9.149 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.608 9.305 10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.344 9.178 11.998 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.233 10.978 11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.364 10.110 12.415 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.916 11.823 3.282 1.00 0.00 N ATOM 1106 CA GLY A 72 -3.315 12.980 2.470 1.00 0.00 C ATOM 1107 C GLY A 72 -2.779 12.999 1.034 1.00 0.00 C ATOM 1108 O GLY A 72 -3.264 13.777 0.215 1.00 0.00 O ATOM 0 H GLY A 72 -1.980 11.903 3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.404 13.017 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.983 13.887 2.975 1.00 0.00 H new ATOM 1112 N ILE A 73 -1.802 12.142 0.701 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.313 11.855 -0.659 1.00 0.00 C ATOM 1114 C ILE A 73 -1.240 13.100 -1.584 1.00 0.00 C ATOM 1115 O ILE A 73 -0.617 14.104 -1.219 1.00 0.00 O ATOM 1116 CB ILE A 73 -2.088 10.619 -1.206 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.491 10.108 -2.528 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.610 10.768 -1.407 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.435 8.594 -2.626 1.00 0.00 C ATOM 0 H ILE A 73 -1.305 11.602 1.409 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.258 11.581 -0.627 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.959 9.907 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.082 10.496 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.483 10.508 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.019 9.834 -1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.081 11.006 -0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.806 11.570 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.003 8.307 -3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.819 8.200 -1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.443 8.187 -2.546 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.795 13.018 -2.798 1.00 0.00 N ATOM 1132 CA GLY A 74 -2.099 14.076 -3.748 1.00 0.00 C ATOM 1133 C GLY A 74 -2.474 13.491 -5.112 1.00 0.00 C ATOM 1134 O GLY A 74 -2.076 12.364 -5.417 1.00 0.00 O ATOM 0 H GLY A 74 -2.068 12.109 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.920 14.685 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.237 14.734 -3.854 1.00 0.00 H new ATOM 1138 N ARG A 75 -3.190 14.253 -5.953 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.697 13.829 -7.270 1.00 0.00 C ATOM 1140 C ARG A 75 -2.627 13.148 -8.115 1.00 0.00 C ATOM 1141 O ARG A 75 -2.829 12.062 -8.642 1.00 0.00 O ATOM 1142 CB ARG A 75 -4.279 15.041 -8.025 1.00 0.00 C ATOM 1143 CG ARG A 75 -5.456 14.691 -8.946 1.00 0.00 C ATOM 1144 CD ARG A 75 -5.166 13.697 -10.077 1.00 0.00 C ATOM 1145 NE ARG A 75 -4.142 14.198 -11.026 1.00 0.00 N ATOM 1146 CZ ARG A 75 -3.931 13.722 -12.264 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -4.649 12.714 -12.741 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -2.988 14.241 -13.050 1.00 0.00 N ATOM 0 H ARG A 75 -3.441 15.216 -5.728 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.482 13.093 -7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.607 15.786 -7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.489 15.500 -8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.260 14.285 -8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.828 15.614 -9.390 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.829 12.753 -9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.089 13.490 -10.619 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.550 14.967 -10.713 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.375 12.288 -12.165 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.475 12.365 -13.684 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.412 15.013 -12.714 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.842 13.866 -13.987 1.00 0.00 H new ATOM 1162 N ARG A 76 -1.446 13.749 -8.194 1.00 0.00 N ATOM 1163 CA ARG A 76 -0.264 13.228 -8.888 1.00 0.00 C ATOM 1164 C ARG A 76 0.210 11.838 -8.456 1.00 0.00 C ATOM 1165 O ARG A 76 1.204 11.343 -8.999 1.00 0.00 O ATOM 1166 CB ARG A 76 0.862 14.227 -8.673 1.00 0.00 C ATOM 1167 CG ARG A 76 1.272 14.234 -7.194 1.00 0.00 C ATOM 1168 CD ARG A 76 2.298 15.357 -7.025 1.00 0.00 C ATOM 1169 NE ARG A 76 2.018 16.206 -5.849 1.00 0.00 N ATOM 1170 CZ ARG A 76 2.850 17.105 -5.303 1.00 0.00 C ATOM 1171 NH1 ARG A 76 4.065 17.305 -5.802 1.00 0.00 N ATOM 1172 NH2 ARG A 76 2.461 17.820 -4.257 1.00 0.00 N ATOM 0 H ARG A 76 -1.273 14.655 -7.758 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.548 13.106 -9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.717 13.965 -9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.540 15.223 -8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.406 14.402 -6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.699 13.273 -6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.293 14.924 -6.928 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.306 15.976 -7.922 1.00 0.00 H new ATOM 0 HE ARG A 76 1.104 16.098 -5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.378 16.771 -6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.685 17.993 -5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.528 17.687 -3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.095 18.503 -3.842 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.394 11.265 -7.419 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.121 9.931 -6.953 1.00 0.00 C ATOM 1188 C ALA A 77 -1.342 9.045 -7.149 1.00 0.00 C ATOM 1189 O ALA A 77 -1.149 7.940 -7.642 1.00 0.00 O ATOM 1190 CB ALA A 77 0.383 9.965 -5.518 1.00 0.00 C ATOM 0 H ALA A 77 -1.109 11.742 -6.869 1.00 0.00 H new ATOM 0 HA ALA A 77 0.678 9.487 -7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.585 8.949 -5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.299 10.553 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.374 10.417 -4.877 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.567 9.534 -6.894 1.00 0.00 N ATOM 1197 CA ILE A 78 -3.794 8.943 -7.409 1.00 0.00 C ATOM 1198 C ILE A 78 -3.580 8.550 -8.881 1.00 0.00 C ATOM 1199 O ILE A 78 -3.879 7.423 -9.247 1.00 0.00 O ATOM 1200 CB ILE A 78 -4.972 9.932 -7.205 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.585 9.781 -5.804 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.119 9.758 -8.215 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -4.676 10.084 -4.630 1.00 0.00 C ATOM 0 H ILE A 78 -2.725 10.360 -6.317 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.051 8.034 -6.865 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.525 10.916 -7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.454 10.436 -5.740 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.948 8.759 -5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.903 10.486 -8.005 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.741 9.914 -9.225 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.528 8.751 -8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.224 9.941 -3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.817 9.413 -4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.332 11.116 -4.693 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.008 9.434 -9.711 1.00 0.00 N ATOM 1216 CA ALA A 79 -2.833 9.217 -11.144 1.00 0.00 C ATOM 1217 C ALA A 79 -1.933 8.026 -11.499 1.00 0.00 C ATOM 1218 O ALA A 79 -1.963 7.566 -12.643 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.230 10.484 -11.751 1.00 0.00 C ATOM 0 H ALA A 79 -2.649 10.335 -9.394 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.819 8.987 -11.548 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.091 10.343 -12.823 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.902 11.325 -11.580 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.267 10.688 -11.284 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.102 7.549 -10.570 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.323 6.343 -10.769 1.00 0.00 C ATOM 1227 C ALA A 80 -1.249 5.152 -10.711 1.00 0.00 C ATOM 1228 O ALA A 80 -1.398 4.435 -11.694 1.00 0.00 O ATOM 1229 CB ALA A 80 0.759 6.257 -9.687 1.00 0.00 C ATOM 0 H ALA A 80 -0.956 7.993 -9.663 1.00 0.00 H new ATOM 0 HA ALA A 80 0.168 6.357 -11.742 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.348 5.351 -9.832 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.411 7.128 -9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.289 6.230 -8.704 1.00 0.00 H new ATOM 1235 N PHE A 81 -1.898 4.982 -9.569 1.00 0.00 N ATOM 1236 CA PHE A 81 -2.815 3.909 -9.320 1.00 0.00 C ATOM 1237 C PHE A 81 -3.933 3.931 -10.355 1.00 0.00 C ATOM 1238 O PHE A 81 -4.217 2.896 -10.942 1.00 0.00 O ATOM 1239 CB PHE A 81 -3.311 4.084 -7.888 1.00 0.00 C ATOM 1240 CG PHE A 81 -2.201 4.375 -6.898 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -1.037 3.580 -6.856 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -2.304 5.502 -6.072 1.00 0.00 C ATOM 1243 CE1 PHE A 81 0.016 3.921 -5.991 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -1.265 5.824 -5.193 1.00 0.00 C ATOM 1245 CZ PHE A 81 -0.105 5.038 -5.152 1.00 0.00 C ATOM 0 H PHE A 81 -1.789 5.612 -8.774 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.347 2.929 -9.416 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.036 4.898 -7.859 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.835 3.179 -7.580 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.955 2.709 -7.489 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.187 6.123 -6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.916 3.325 -5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.357 6.682 -4.543 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.696 5.293 -4.474 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.500 5.097 -10.664 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.549 5.253 -11.660 1.00 0.00 C ATOM 1257 C GLU A 82 -5.093 4.925 -13.082 1.00 0.00 C ATOM 1258 O GLU A 82 -5.972 4.753 -13.930 1.00 0.00 O ATOM 1259 CB GLU A 82 -6.120 6.677 -11.631 1.00 0.00 C ATOM 1260 CG GLU A 82 -7.165 6.866 -10.524 1.00 0.00 C ATOM 1261 CD GLU A 82 -7.970 8.165 -10.670 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -7.842 8.892 -11.684 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -8.777 8.465 -9.762 1.00 0.00 O ATOM 0 H GLU A 82 -4.234 5.975 -10.217 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.320 4.531 -11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.307 7.388 -11.485 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.572 6.904 -12.596 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.850 6.018 -10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.664 6.863 -9.556 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.786 4.810 -13.382 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.419 4.246 -14.677 1.00 0.00 C ATOM 1272 C ALA A 83 -3.824 2.767 -14.711 1.00 0.00 C ATOM 1273 O ALA A 83 -4.464 2.304 -15.659 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.925 4.436 -14.944 1.00 0.00 C ATOM 0 H ALA A 83 -3.011 5.085 -12.778 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.950 4.768 -15.473 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.672 4.009 -15.914 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.688 5.500 -14.943 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.350 3.935 -14.166 1.00 0.00 H new ATOM 1280 N MET A 84 -3.492 2.030 -13.650 1.00 0.00 N ATOM 1281 CA MET A 84 -3.778 0.602 -13.572 1.00 0.00 C ATOM 1282 C MET A 84 -5.201 0.325 -13.075 1.00 0.00 C ATOM 1283 O MET A 84 -5.749 -0.729 -13.384 1.00 0.00 O ATOM 1284 CB MET A 84 -2.706 -0.156 -12.773 1.00 0.00 C ATOM 1285 CG MET A 84 -1.886 0.627 -11.746 1.00 0.00 C ATOM 1286 SD MET A 84 -0.552 -0.413 -11.118 1.00 0.00 S ATOM 1287 CE MET A 84 -0.143 0.452 -9.593 1.00 0.00 C ATOM 0 H MET A 84 -3.021 2.406 -12.827 1.00 0.00 H new ATOM 0 HA MET A 84 -3.733 0.210 -14.588 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.197 -0.977 -12.251 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.011 -0.601 -13.485 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.475 1.527 -12.204 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.526 0.951 -10.925 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.619 -0.108 -9.050 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.236 1.446 -9.829 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.036 0.542 -8.975 1.00 0.00 H new ATOM 1297 N GLY A 85 -5.863 1.279 -12.423 1.00 0.00 N ATOM 1298 CA GLY A 85 -7.148 1.066 -11.765 1.00 0.00 C ATOM 1299 C GLY A 85 -6.995 0.671 -10.300 1.00 0.00 C ATOM 1300 O GLY A 85 -7.952 0.194 -9.694 1.00 0.00 O ATOM 0 H GLY A 85 -5.516 2.234 -12.336 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.742 1.977 -11.832 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.698 0.287 -12.293 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.846 0.958 -9.696 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.503 0.537 -8.353 1.00 0.00 C ATOM 1306 C VAL A 86 -6.239 1.503 -7.423 1.00 0.00 C ATOM 1307 O VAL A 86 -6.151 2.729 -7.540 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.949 0.494 -8.237 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.371 0.413 -6.810 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.526 -0.787 -8.972 1.00 0.00 C ATOM 0 H VAL A 86 -5.111 1.505 -10.145 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.817 -0.470 -8.078 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.571 1.432 -8.644 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.282 0.389 -6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.689 1.285 -6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.732 -0.492 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.441 -0.887 -8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.987 -1.651 -8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.849 -0.733 -10.012 1.00 0.00 H new ATOM 1320 N LYS A 87 -7.091 0.933 -6.571 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.774 1.683 -5.527 1.00 0.00 C ATOM 1322 C LYS A 87 -6.730 2.223 -4.548 1.00 0.00 C ATOM 1323 O LYS A 87 -5.738 1.551 -4.267 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.821 0.792 -4.871 1.00 0.00 C ATOM 1325 CG LYS A 87 -9.597 1.630 -3.849 1.00 0.00 C ATOM 1326 CD LYS A 87 -10.754 0.843 -3.263 1.00 0.00 C ATOM 1327 CE LYS A 87 -11.999 0.834 -4.157 1.00 0.00 C ATOM 1328 NZ LYS A 87 -12.779 2.085 -4.061 1.00 0.00 N ATOM 0 H LYS A 87 -7.324 -0.060 -6.588 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.308 2.542 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.499 0.387 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.344 -0.057 -4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.927 1.947 -3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.973 2.535 -4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.434 -0.184 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.016 1.264 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.697 0.678 -5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.634 -0.007 -3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.415 2.161 -4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.341 2.078 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.131 2.898 -4.049 1.00 0.00 H new ATOM 1342 N VAL A 88 -6.967 3.399 -3.981 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.057 4.078 -3.082 1.00 0.00 C ATOM 1344 C VAL A 88 -6.882 4.705 -1.961 1.00 0.00 C ATOM 1345 O VAL A 88 -7.335 5.833 -2.095 1.00 0.00 O ATOM 1346 CB VAL A 88 -5.191 5.047 -3.919 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -5.944 5.852 -4.999 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -4.378 6.020 -3.050 1.00 0.00 C ATOM 0 H VAL A 88 -7.829 3.920 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.349 3.416 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.521 4.366 -4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.243 6.499 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.407 5.165 -5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.715 6.461 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.789 6.676 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.056 6.619 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.711 5.456 -2.398 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.130 3.977 -0.875 1.00 0.00 N ATOM 1359 CA ILE A 89 -7.909 4.463 0.262 1.00 0.00 C ATOM 1360 C ILE A 89 -7.094 5.534 0.995 1.00 0.00 C ATOM 1361 O ILE A 89 -5.917 5.322 1.281 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.320 3.262 1.149 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.530 2.587 0.464 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.651 3.703 2.585 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.928 1.210 0.998 1.00 0.00 C ATOM 0 H ILE A 89 -6.792 3.022 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.837 4.938 -0.055 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.494 2.557 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.389 3.251 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.312 2.492 -0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.935 2.833 3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.776 4.175 3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.477 4.414 2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.788 0.838 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.093 0.519 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.187 1.290 2.054 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.710 6.682 1.295 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.060 7.856 1.874 1.00 0.00 C ATOM 1379 C LYS A 90 -7.574 8.142 3.285 1.00 0.00 C ATOM 1380 O LYS A 90 -8.531 7.520 3.749 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.296 9.030 0.914 1.00 0.00 C ATOM 1382 CG LYS A 90 -6.533 8.829 -0.413 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.282 9.267 -1.679 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.556 8.454 -1.823 1.00 0.00 C ATOM 1385 NZ LYS A 90 -8.805 7.821 -3.136 1.00 0.00 N ATOM 0 H LYS A 90 -8.708 6.821 1.135 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.989 7.686 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.363 9.129 0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.973 9.959 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.594 9.380 -0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.279 7.773 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.521 10.329 -1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.649 9.128 -2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.545 7.670 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.400 9.105 -1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.806 7.548 -3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.576 8.494 -3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.208 6.975 -3.232 1.00 0.00 H new ATOM 1399 N GLY A 91 -6.922 9.090 3.960 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.252 9.533 5.308 1.00 0.00 C ATOM 1401 C GLY A 91 -6.978 8.495 6.403 1.00 0.00 C ATOM 1402 O GLY A 91 -7.296 8.751 7.567 1.00 0.00 O ATOM 0 H GLY A 91 -6.122 9.585 3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.683 10.436 5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.307 9.806 5.339 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.399 7.335 6.065 1.00 0.00 N ATOM 1407 CA ALA A 92 -6.127 6.262 7.011 1.00 0.00 C ATOM 1408 C ALA A 92 -5.015 6.673 7.974 1.00 0.00 C ATOM 1409 O ALA A 92 -4.275 7.620 7.713 1.00 0.00 O ATOM 1410 CB ALA A 92 -5.736 4.998 6.248 1.00 0.00 C ATOM 0 H ALA A 92 -6.105 7.120 5.112 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.025 6.061 7.595 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.532 4.194 6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.553 4.703 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.843 5.193 5.654 1.00 0.00 H new ATOM 1416 N SER A 93 -4.876 5.941 9.077 1.00 0.00 N ATOM 1417 CA SER A 93 -4.201 6.422 10.263 1.00 0.00 C ATOM 1418 C SER A 93 -3.841 5.223 11.127 1.00 0.00 C ATOM 1419 O SER A 93 -4.737 4.452 11.472 1.00 0.00 O ATOM 1420 CB SER A 93 -5.167 7.363 11.001 1.00 0.00 C ATOM 1421 OG SER A 93 -6.455 6.792 11.202 1.00 0.00 O ATOM 0 H SER A 93 -5.235 4.990 9.166 1.00 0.00 H new ATOM 0 HA SER A 93 -3.287 6.964 10.020 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.739 7.629 11.967 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.270 8.287 10.433 1.00 0.00 H new ATOM 0 HG SER A 93 -6.366 5.826 11.344 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.567 5.071 11.481 1.00 0.00 N ATOM 1428 CA GLY A 94 -2.127 3.981 12.349 1.00 0.00 C ATOM 1429 C GLY A 94 -0.772 3.419 11.942 1.00 0.00 C ATOM 1430 O GLY A 94 -0.075 4.020 11.125 1.00 0.00 O ATOM 0 H GLY A 94 -1.817 5.693 11.178 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.074 4.339 13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.869 3.183 12.328 1.00 0.00 H new ATOM 1434 N THR A 95 -0.364 2.292 12.523 1.00 0.00 N ATOM 1435 CA THR A 95 0.772 1.532 12.009 1.00 0.00 C ATOM 1436 C THR A 95 0.329 0.687 10.811 1.00 0.00 C ATOM 1437 O THR A 95 -0.867 0.580 10.537 1.00 0.00 O ATOM 1438 CB THR A 95 1.394 0.679 13.132 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.412 -0.143 13.729 1.00 0.00 O ATOM 1440 CG2 THR A 95 2.004 1.554 14.230 1.00 0.00 C ATOM 0 H THR A 95 -0.803 1.886 13.349 1.00 0.00 H new ATOM 0 HA THR A 95 1.547 2.215 11.661 1.00 0.00 H new ATOM 0 HB THR A 95 2.175 0.073 12.673 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.822 -0.680 14.439 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.433 0.919 15.005 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.785 2.183 13.802 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.229 2.184 14.666 1.00 0.00 H new ATOM 1448 N VAL A 96 1.281 0.078 10.099 1.00 0.00 N ATOM 1449 CA VAL A 96 1.006 -0.789 8.960 1.00 0.00 C ATOM 1450 C VAL A 96 0.020 -1.873 9.375 1.00 0.00 C ATOM 1451 O VAL A 96 -1.060 -1.961 8.798 1.00 0.00 O ATOM 1452 CB VAL A 96 2.329 -1.355 8.394 1.00 0.00 C ATOM 1453 CG1 VAL A 96 2.179 -2.621 7.542 1.00 0.00 C ATOM 1454 CG2 VAL A 96 2.980 -0.278 7.533 1.00 0.00 C ATOM 0 H VAL A 96 2.275 0.177 10.303 1.00 0.00 H new ATOM 0 HA VAL A 96 0.541 -0.223 8.153 1.00 0.00 H new ATOM 0 HB VAL A 96 2.932 -1.637 9.257 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.160 -2.941 7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.732 -3.413 8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.538 -2.410 6.686 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.916 -0.657 7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.309 -0.009 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.181 0.603 8.143 1.00 0.00 H new ATOM 1464 N GLU A 97 0.376 -2.693 10.363 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.427 -3.862 10.703 1.00 0.00 C ATOM 1466 C GLU A 97 -1.826 -3.488 11.214 1.00 0.00 C ATOM 1467 O GLU A 97 -2.773 -4.259 11.043 1.00 0.00 O ATOM 1468 CB GLU A 97 0.321 -4.743 11.702 1.00 0.00 C ATOM 1469 CG GLU A 97 0.632 -4.049 13.034 1.00 0.00 C ATOM 1470 CD GLU A 97 1.140 -5.059 14.052 1.00 0.00 C ATOM 1471 OE1 GLU A 97 2.299 -5.508 13.944 1.00 0.00 O ATOM 1472 OE2 GLU A 97 0.362 -5.408 14.969 1.00 0.00 O ATOM 0 H GLU A 97 1.210 -2.569 10.937 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.584 -4.431 9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.272 -5.636 11.899 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.256 -5.075 11.250 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.380 -3.271 12.880 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.264 -3.559 13.414 1.00 0.00 H new ATOM 1479 N GLU A 98 -1.948 -2.305 11.811 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.172 -1.753 12.358 1.00 0.00 C ATOM 1481 C GLU A 98 -4.077 -1.298 11.217 1.00 0.00 C ATOM 1482 O GLU A 98 -5.211 -1.757 11.126 1.00 0.00 O ATOM 1483 CB GLU A 98 -2.760 -0.615 13.293 1.00 0.00 C ATOM 1484 CG GLU A 98 -3.896 0.191 13.917 1.00 0.00 C ATOM 1485 CD GLU A 98 -3.287 1.151 14.936 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -2.504 2.053 14.556 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -3.471 0.952 16.157 1.00 0.00 O ATOM 0 H GLU A 98 -1.152 -1.678 11.929 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.747 -2.484 12.926 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.156 -1.035 14.097 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.119 0.070 12.737 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.438 0.743 13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.614 -0.472 14.400 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.578 -0.449 10.315 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.282 0.026 9.136 1.00 0.00 C ATOM 1496 C VAL A 99 -4.738 -1.166 8.287 1.00 0.00 C ATOM 1497 O VAL A 99 -5.881 -1.192 7.821 1.00 0.00 O ATOM 1498 CB VAL A 99 -3.311 0.972 8.391 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.696 1.238 6.948 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -3.245 2.347 9.070 1.00 0.00 C ATOM 0 H VAL A 99 -2.637 -0.063 10.395 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.190 0.575 9.386 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.356 0.448 8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.967 1.909 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.715 0.298 6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.683 1.698 6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.555 2.990 8.524 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.237 2.799 9.073 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.897 2.230 10.096 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.859 -2.156 8.112 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.141 -3.419 7.451 1.00 0.00 C ATOM 1512 C VAL A 100 -5.374 -4.031 8.110 1.00 0.00 C ATOM 1513 O VAL A 100 -6.365 -4.283 7.425 1.00 0.00 O ATOM 1514 CB VAL A 100 -2.880 -4.315 7.521 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.126 -5.817 7.328 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -1.837 -3.875 6.484 1.00 0.00 C ATOM 0 H VAL A 100 -2.896 -2.091 8.442 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.369 -3.294 6.392 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.524 -4.178 8.542 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.179 -6.352 7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.802 -6.177 8.103 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.572 -5.990 6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.961 -4.520 6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.264 -3.949 5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.544 -2.843 6.678 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.332 -4.275 9.420 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.409 -4.960 10.115 1.00 0.00 C ATOM 1528 C ASN A 101 -7.714 -4.164 10.072 1.00 0.00 C ATOM 1529 O ASN A 101 -8.748 -4.766 9.794 1.00 0.00 O ATOM 1530 CB ASN A 101 -5.997 -5.227 11.565 1.00 0.00 C ATOM 1531 CG ASN A 101 -7.145 -5.849 12.344 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -7.949 -5.147 12.944 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -7.278 -7.163 12.321 1.00 0.00 N ATOM 0 H ASN A 101 -4.554 -4.003 10.021 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.590 -5.906 9.605 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.134 -5.892 11.586 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.692 -4.294 12.039 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.058 -7.605 12.807 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.601 -7.735 11.817 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.686 -2.845 10.301 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.883 -2.005 10.256 1.00 0.00 C ATOM 1542 C GLN A 102 -9.574 -2.152 8.901 1.00 0.00 C ATOM 1543 O GLN A 102 -10.798 -2.293 8.812 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.548 -0.520 10.466 1.00 0.00 C ATOM 1545 CG GLN A 102 -7.935 -0.149 11.825 1.00 0.00 C ATOM 1546 CD GLN A 102 -8.618 1.079 12.428 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -8.810 2.090 11.755 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -9.034 1.015 13.683 1.00 0.00 N ATOM 0 H GLN A 102 -6.832 -2.333 10.522 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.537 -2.337 11.062 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.857 -0.211 9.682 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.461 0.060 10.332 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -8.028 -0.992 12.510 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.870 0.048 11.704 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.870 0.171 14.232 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.519 1.809 14.101 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.787 -2.094 7.827 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.277 -2.281 6.480 1.00 0.00 C ATOM 1559 C TYR A 103 -9.849 -3.674 6.266 1.00 0.00 C ATOM 1560 O TYR A 103 -10.983 -3.805 5.804 1.00 0.00 O ATOM 1561 CB TYR A 103 -8.155 -1.994 5.492 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.608 -2.255 4.077 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -9.710 -1.533 3.580 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -8.056 -3.317 3.334 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -10.267 -1.869 2.344 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -8.667 -3.718 2.137 1.00 0.00 C ATOM 1567 CZ TYR A 103 -9.775 -2.985 1.639 1.00 0.00 C ATOM 1568 OH TYR A 103 -10.418 -3.328 0.500 1.00 0.00 O ATOM 0 H TYR A 103 -7.784 -1.914 7.878 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.096 -1.581 6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -7.834 -0.957 5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.292 -2.618 5.723 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.125 -0.719 4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.167 -3.820 3.684 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.070 -1.277 1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.297 -4.578 1.599 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.985 -4.113 0.103 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.089 -4.718 6.591 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.491 -6.096 6.432 1.00 0.00 C ATOM 1580 C LEU A 104 -10.768 -6.381 7.213 1.00 0.00 C ATOM 1581 O LEU A 104 -11.598 -7.162 6.743 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.354 -7.019 6.916 1.00 0.00 C ATOM 1583 CG LEU A 104 -7.446 -7.396 5.746 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.597 -6.283 5.152 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -6.508 -8.551 6.071 1.00 0.00 C ATOM 0 H LEU A 104 -8.153 -4.616 6.982 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.691 -6.286 5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.773 -6.517 7.690 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.773 -7.919 7.365 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.185 -7.677 4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.999 -6.680 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.246 -5.490 4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.937 -5.880 5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.889 -8.772 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.870 -8.276 6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.093 -9.432 6.334 1.00 0.00 H new ATOM 1597 N SER A 105 -10.965 -5.714 8.350 1.00 0.00 N ATOM 1598 CA SER A 105 -12.180 -5.855 9.127 1.00 0.00 C ATOM 1599 C SER A 105 -13.325 -5.118 8.431 1.00 0.00 C ATOM 1600 O SER A 105 -14.416 -5.670 8.314 1.00 0.00 O ATOM 1601 CB SER A 105 -11.934 -5.362 10.546 1.00 0.00 C ATOM 1602 OG SER A 105 -11.006 -6.218 11.198 1.00 0.00 O ATOM 0 H SER A 105 -10.287 -5.066 8.750 1.00 0.00 H new ATOM 0 HA SER A 105 -12.472 -6.903 9.196 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.550 -4.342 10.525 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.872 -5.338 11.100 1.00 0.00 H new ATOM 0 HG SER A 105 -10.095 -5.982 10.925 1.00 0.00 H new ATOM 1608 N GLY A 106 -13.060 -3.943 7.861 1.00 0.00 N ATOM 1609 CA GLY A 106 -13.996 -3.237 7.000 1.00 0.00 C ATOM 1610 C GLY A 106 -14.399 -1.891 7.575 1.00 0.00 C ATOM 1611 O GLY A 106 -15.557 -1.501 7.425 1.00 0.00 O ATOM 0 H GLY A 106 -12.175 -3.452 7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.545 -3.091 6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -14.886 -3.849 6.854 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.480 -1.196 8.253 1.00 0.00 N ATOM 1616 CA GLN A 107 -13.746 0.139 8.796 1.00 0.00 C ATOM 1617 C GLN A 107 -13.218 1.248 7.889 1.00 0.00 C ATOM 1618 O GLN A 107 -13.813 2.322 7.800 1.00 0.00 O ATOM 1619 CB GLN A 107 -13.096 0.243 10.181 1.00 0.00 C ATOM 1620 CG GLN A 107 -13.690 -0.768 11.168 1.00 0.00 C ATOM 1621 CD GLN A 107 -15.119 -0.402 11.580 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -16.076 -0.594 10.829 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -15.287 0.190 12.754 1.00 0.00 N ATOM 0 H GLN A 107 -12.538 -1.540 8.440 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.826 0.272 8.866 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.023 0.076 10.092 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.230 1.252 10.570 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.687 -1.760 10.716 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.060 -0.820 12.056 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.486 0.343 13.367 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.217 0.492 13.044 1.00 0.00 H new ATOM 1632 N LEU A 108 -12.083 0.986 7.244 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.380 1.923 6.373 1.00 0.00 C ATOM 1634 C LEU A 108 -12.055 1.925 5.002 1.00 0.00 C ATOM 1635 O LEU A 108 -12.594 0.901 4.569 1.00 0.00 O ATOM 1636 CB LEU A 108 -9.898 1.516 6.294 1.00 0.00 C ATOM 1637 CG LEU A 108 -8.917 2.458 7.014 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -9.316 2.827 8.447 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -7.548 1.780 7.063 1.00 0.00 C ATOM 0 H LEU A 108 -11.612 0.084 7.317 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.425 2.938 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.790 0.516 6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.611 1.453 5.244 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.915 3.387 6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.566 3.493 8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.284 3.329 8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.383 1.922 9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.837 2.432 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.628 0.838 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.202 1.586 6.048 1.00 0.00 H new ATOM 1651 N LYS A 109 -12.071 3.078 4.327 1.00 0.00 N ATOM 1652 CA LYS A 109 -13.013 3.367 3.260 1.00 0.00 C ATOM 1653 C LYS A 109 -12.446 4.446 2.326 1.00 0.00 C ATOM 1654 O LYS A 109 -11.550 5.186 2.718 1.00 0.00 O ATOM 1655 CB LYS A 109 -14.310 3.807 3.968 1.00 0.00 C ATOM 1656 CG LYS A 109 -15.506 3.781 3.033 1.00 0.00 C ATOM 1657 CD LYS A 109 -15.934 2.369 2.624 1.00 0.00 C ATOM 1658 CE LYS A 109 -16.532 2.431 1.224 1.00 0.00 C ATOM 1659 NZ LYS A 109 -17.672 3.370 1.127 1.00 0.00 N ATOM 0 H LYS A 109 -11.420 3.841 4.514 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.206 2.506 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.500 3.151 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.182 4.814 4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.346 4.280 3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.268 4.354 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.078 1.694 2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.664 1.975 3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.759 2.731 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.862 1.435 0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.185 3.202 0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.314 3.220 1.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -17.319 4.348 1.144 1.00 0.00 H new ATOM 1673 N ASP A 110 -12.937 4.549 1.088 1.00 0.00 N ATOM 1674 CA ASP A 110 -12.308 5.299 -0.007 1.00 0.00 C ATOM 1675 C ASP A 110 -13.052 6.617 -0.206 1.00 0.00 C ATOM 1676 O ASP A 110 -13.482 6.951 -1.306 1.00 0.00 O ATOM 1677 CB ASP A 110 -12.287 4.452 -1.296 1.00 0.00 C ATOM 1678 CG ASP A 110 -11.532 5.111 -2.462 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -10.848 6.145 -2.290 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -11.616 4.557 -3.587 1.00 0.00 O ATOM 0 H ASP A 110 -13.810 4.100 0.810 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.272 5.524 0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -11.828 3.488 -1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -13.313 4.254 -1.606 1.00 0.00 H new ATOM 1685 N SER A 111 -13.302 7.340 0.883 1.00 0.00 N ATOM 1686 CA SER A 111 -14.278 8.431 0.903 1.00 0.00 C ATOM 1687 C SER A 111 -13.639 9.818 0.867 1.00 0.00 C ATOM 1688 O SER A 111 -14.330 10.832 0.823 1.00 0.00 O ATOM 1689 CB SER A 111 -15.180 8.288 2.135 1.00 0.00 C ATOM 1690 OG SER A 111 -15.130 6.990 2.711 1.00 0.00 O ATOM 0 H SER A 111 -12.835 7.188 1.777 1.00 0.00 H new ATOM 0 HA SER A 111 -14.869 8.348 -0.009 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.884 9.023 2.883 1.00 0.00 H new ATOM 0 HB3 SER A 111 -16.208 8.516 1.854 1.00 0.00 H new ATOM 0 HG SER A 111 -15.721 6.956 3.492 1.00 0.00 H new ATOM 1696 N ASP A 112 -12.312 9.857 0.907 1.00 0.00 N ATOM 1697 CA ASP A 112 -11.546 11.041 1.253 1.00 0.00 C ATOM 1698 C ASP A 112 -10.769 11.447 0.019 1.00 0.00 C ATOM 1699 O ASP A 112 -9.647 10.991 -0.199 1.00 0.00 O ATOM 1700 CB ASP A 112 -10.645 10.784 2.476 1.00 0.00 C ATOM 1701 CG ASP A 112 -11.392 10.844 3.809 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -12.385 11.601 3.921 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -10.950 10.185 4.774 1.00 0.00 O ATOM 0 H ASP A 112 -11.729 9.047 0.695 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.201 11.860 1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.179 9.804 2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.841 11.520 2.486 1.00 0.00 H new ATOM 1708 N TYR A 113 -11.388 12.265 -0.827 1.00 0.00 N ATOM 1709 CA TYR A 113 -10.790 12.723 -2.073 1.00 0.00 C ATOM 1710 C TYR A 113 -10.710 14.248 -2.105 1.00 0.00 C ATOM 1711 O TYR A 113 -11.555 14.917 -1.509 1.00 0.00 O ATOM 1712 CB TYR A 113 -11.599 12.172 -3.250 1.00 0.00 C ATOM 1713 CG TYR A 113 -10.850 12.309 -4.553 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -9.900 11.342 -4.920 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -11.017 13.461 -5.334 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -9.143 11.510 -6.093 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -10.204 13.673 -6.455 1.00 0.00 C ATOM 1718 CZ TYR A 113 -9.262 12.698 -6.847 1.00 0.00 C ATOM 1719 OH TYR A 113 -8.447 12.920 -7.911 1.00 0.00 O ATOM 0 H TYR A 113 -12.326 12.631 -0.664 1.00 0.00 H new ATOM 0 HA TYR A 113 -9.769 12.350 -2.149 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -11.832 11.122 -3.072 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -12.549 12.702 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -9.751 10.469 -4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -11.773 14.186 -5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -8.470 10.730 -6.417 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.299 14.587 -7.022 1.00 0.00 H new ATOM 0 HH TYR A 113 -8.666 13.785 -8.316 1.00 0.00 H new ATOM 1729 N GLU A 114 -9.759 14.803 -2.866 1.00 0.00 N ATOM 1730 CA GLU A 114 -9.647 16.228 -3.159 1.00 0.00 C ATOM 1731 C GLU A 114 -10.772 16.694 -4.105 1.00 0.00 C ATOM 1732 O GLU A 114 -10.543 17.107 -5.244 1.00 0.00 O ATOM 1733 CB GLU A 114 -8.214 16.600 -3.594 1.00 0.00 C ATOM 1734 CG GLU A 114 -7.619 15.814 -4.773 1.00 0.00 C ATOM 1735 CD GLU A 114 -6.197 16.308 -5.091 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -6.021 17.296 -5.843 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -5.199 15.810 -4.514 1.00 0.00 O ATOM 0 H GLU A 114 -9.024 14.250 -3.307 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.808 16.799 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.202 17.659 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.555 16.473 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.595 14.751 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.254 15.929 -5.651 1.00 0.00 H new ATOM 1744 N VAL A 115 -12.002 16.675 -3.592 1.00 0.00 N ATOM 1745 CA VAL A 115 -13.278 17.029 -4.196 1.00 0.00 C ATOM 1746 C VAL A 115 -13.625 16.140 -5.394 1.00 0.00 C ATOM 1747 O VAL A 115 -14.524 15.308 -5.273 1.00 0.00 O ATOM 1748 CB VAL A 115 -13.338 18.543 -4.471 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -14.694 18.965 -5.055 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -13.090 19.348 -3.185 1.00 0.00 C ATOM 0 H VAL A 115 -12.139 16.374 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 115 -14.076 16.821 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 115 -12.555 18.755 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -14.694 20.040 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -14.864 18.440 -5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -15.487 18.714 -4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.138 20.414 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.851 19.097 -2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -12.105 19.104 -2.788 1.00 0.00 H new ATOM 1760 N HIS A 116 -12.987 16.312 -6.555 1.00 0.00 N ATOM 1761 CA HIS A 116 -13.260 15.521 -7.755 1.00 0.00 C ATOM 1762 C HIS A 116 -12.087 15.666 -8.726 1.00 0.00 C ATOM 1763 O HIS A 116 -11.161 16.431 -8.436 1.00 0.00 O ATOM 1764 CB HIS A 116 -14.596 15.971 -8.380 1.00 0.00 C ATOM 1765 CG HIS A 116 -15.218 14.948 -9.296 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -15.809 15.204 -10.520 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -15.324 13.609 -9.040 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -16.244 14.026 -11.013 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -15.963 13.051 -10.127 1.00 0.00 N ATOM 0 H HIS A 116 -12.258 17.013 -6.688 1.00 0.00 H new ATOM 0 HA HIS A 116 -13.359 14.465 -7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -15.299 16.204 -7.581 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -14.432 16.892 -8.939 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -14.976 13.090 -8.159 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -16.737 13.887 -11.964 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -16.186 12.062 -10.241 1.00 0.00 H new ATOM 1778 N ASP A 117 -12.124 14.970 -9.869 1.00 0.00 N ATOM 1779 CA ASP A 117 -11.029 14.847 -10.847 1.00 0.00 C ATOM 1780 C ASP A 117 -10.294 16.165 -11.113 1.00 0.00 C ATOM 1781 O ASP A 117 -9.072 16.189 -11.010 1.00 0.00 O ATOM 1782 CB ASP A 117 -11.543 14.249 -12.163 1.00 0.00 C ATOM 1783 CG ASP A 117 -10.405 14.007 -13.158 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -9.509 13.197 -12.849 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -10.400 14.611 -14.260 1.00 0.00 O ATOM 0 H ASP A 117 -12.956 14.452 -10.153 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.300 14.172 -10.399 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.055 13.308 -11.960 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -12.277 14.922 -12.606 1.00 0.00 H new ATOM 1790 N HIS A 118 -11.031 17.263 -11.332 1.00 0.00 N ATOM 1791 CA HIS A 118 -10.561 18.653 -11.396 1.00 0.00 C ATOM 1792 C HIS A 118 -9.205 18.742 -12.114 1.00 0.00 C ATOM 1793 O HIS A 118 -8.188 19.099 -11.510 1.00 0.00 O ATOM 1794 CB HIS A 118 -10.581 19.265 -9.975 1.00 0.00 C ATOM 1795 CG HIS A 118 -10.202 20.730 -9.914 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -8.908 21.200 -9.833 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -11.044 21.811 -9.934 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -8.955 22.544 -9.827 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -10.241 22.943 -9.901 1.00 0.00 N ATOM 0 H HIS A 118 -12.038 17.199 -11.479 1.00 0.00 H new ATOM 0 HA HIS A 118 -11.235 19.258 -12.003 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -11.580 19.144 -9.556 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -9.898 18.700 -9.341 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -8.064 20.629 -9.786 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -12.123 21.787 -9.969 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -8.099 23.200 -9.772 1.00 0.00 H new ATOM 1808 N HIS A 119 -9.207 18.399 -13.404 1.00 0.00 N ATOM 1809 CA HIS A 119 -8.027 18.282 -14.249 1.00 0.00 C ATOM 1810 C HIS A 119 -7.254 19.602 -14.250 1.00 0.00 C ATOM 1811 O HIS A 119 -7.604 20.546 -14.966 1.00 0.00 O ATOM 1812 CB HIS A 119 -8.454 17.851 -15.660 1.00 0.00 C ATOM 1813 CG HIS A 119 -7.336 17.353 -16.544 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -7.374 16.180 -17.276 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -6.143 17.979 -16.795 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -6.213 16.105 -17.963 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -5.445 17.179 -17.675 1.00 0.00 N ATOM 0 H HIS A 119 -10.070 18.187 -13.905 1.00 0.00 H new ATOM 0 HA HIS A 119 -7.355 17.518 -13.858 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -9.204 17.065 -15.571 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -8.935 18.697 -16.151 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.812 18.920 -16.382 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -5.940 15.308 -18.639 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -4.512 17.365 -18.044 1.00 0.00 H new ATOM 1826 N HIS A 120 -6.190 19.662 -13.457 1.00 0.00 N ATOM 1827 CA HIS A 120 -5.232 20.751 -13.357 1.00 0.00 C ATOM 1828 C HIS A 120 -3.937 20.102 -12.884 1.00 0.00 C ATOM 1829 O HIS A 120 -4.004 19.177 -12.072 1.00 0.00 O ATOM 1830 CB HIS A 120 -5.752 21.787 -12.345 1.00 0.00 C ATOM 1831 CG HIS A 120 -4.812 22.941 -12.082 1.00 0.00 C ATOM 1832 ND1 HIS A 120 -4.468 23.931 -12.987 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -4.236 23.248 -10.877 1.00 0.00 C ATOM 1834 CE1 HIS A 120 -3.690 24.818 -12.337 1.00 0.00 C ATOM 1835 NE2 HIS A 120 -3.526 24.420 -11.059 1.00 0.00 N ATOM 0 H HIS A 120 -5.960 18.896 -12.824 1.00 0.00 H new ATOM 0 HA HIS A 120 -5.078 21.277 -14.299 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -6.700 22.184 -12.707 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -5.958 21.281 -11.401 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -4.321 22.683 -9.961 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -3.264 25.710 -12.772 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -2.973 24.901 -10.349 1.00 0.00 H new ATOM 1844 N HIS A 121 -2.796 20.615 -13.345 1.00 0.00 N ATOM 1845 CA HIS A 121 -1.477 19.981 -13.330 1.00 0.00 C ATOM 1846 C HIS A 121 -1.403 18.955 -14.457 1.00 0.00 C ATOM 1847 O HIS A 121 -2.427 18.501 -14.967 1.00 0.00 O ATOM 1848 CB HIS A 121 -1.080 19.406 -11.960 1.00 0.00 C ATOM 1849 CG HIS A 121 -1.208 20.414 -10.842 1.00 0.00 C ATOM 1850 ND1 HIS A 121 -1.813 20.205 -9.618 1.00 0.00 N ATOM 1851 CD2 HIS A 121 -0.682 21.674 -10.842 1.00 0.00 C ATOM 1852 CE1 HIS A 121 -1.630 21.316 -8.876 1.00 0.00 C ATOM 1853 NE2 HIS A 121 -0.957 22.226 -9.607 1.00 0.00 N ATOM 0 H HIS A 121 -2.766 21.544 -13.766 1.00 0.00 H new ATOM 0 HA HIS A 121 -0.728 20.753 -13.509 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.707 18.543 -11.738 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.051 19.049 -12.005 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -0.151 22.149 -11.654 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -1.968 21.454 -7.860 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -0.695 23.163 -9.300 1.00 0.00 H new ATOM 1862 N GLU A 122 -0.182 18.663 -14.891 1.00 0.00 N ATOM 1863 CA GLU A 122 0.119 18.018 -16.160 1.00 0.00 C ATOM 1864 C GLU A 122 1.419 17.202 -16.013 1.00 0.00 C ATOM 1865 O GLU A 122 1.802 16.843 -14.893 1.00 0.00 O ATOM 1866 CB GLU A 122 0.198 19.111 -17.254 1.00 0.00 C ATOM 1867 CG GLU A 122 -0.625 18.748 -18.497 1.00 0.00 C ATOM 1868 CD GLU A 122 -2.137 18.843 -18.254 1.00 0.00 C ATOM 1869 OE1 GLU A 122 -2.624 19.981 -18.030 1.00 0.00 O ATOM 1870 OE2 GLU A 122 -2.818 17.794 -18.312 1.00 0.00 O ATOM 0 H GLU A 122 0.654 18.877 -14.348 1.00 0.00 H new ATOM 0 HA GLU A 122 -0.660 17.315 -16.456 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -0.160 20.057 -16.847 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.239 19.261 -17.541 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.350 19.412 -19.316 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -0.374 17.735 -18.811 1.00 0.00 H new ATOM 1877 N HIS A 123 2.069 16.875 -17.138 1.00 0.00 N ATOM 1878 CA HIS A 123 3.303 16.086 -17.223 1.00 0.00 C ATOM 1879 C HIS A 123 4.521 16.957 -17.548 1.00 0.00 C ATOM 1880 O HIS A 123 5.557 16.818 -16.902 1.00 0.00 O ATOM 1881 CB HIS A 123 3.136 14.946 -18.244 1.00 0.00 C ATOM 1882 CG HIS A 123 2.618 15.382 -19.599 1.00 0.00 C ATOM 1883 ND1 HIS A 123 3.374 15.628 -20.736 1.00 0.00 N ATOM 1884 CD2 HIS A 123 1.306 15.630 -19.901 1.00 0.00 C ATOM 1885 CE1 HIS A 123 2.528 16.033 -21.704 1.00 0.00 C ATOM 1886 NE2 HIS A 123 1.277 16.060 -21.211 1.00 0.00 N ATOM 0 H HIS A 123 1.732 17.167 -18.055 1.00 0.00 H new ATOM 0 HA HIS A 123 3.489 15.647 -16.243 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.099 14.454 -18.379 1.00 0.00 H new ATOM 0 HB3 HIS A 123 2.453 14.203 -17.831 1.00 0.00 H new ATOM 0 HD2 HIS A 123 0.459 15.512 -19.242 1.00 0.00 H new ATOM 0 HE1 HIS A 123 2.810 16.294 -22.713 1.00 0.00 H new ATOM 0 HE2 HIS A 123 0.444 16.351 -21.722 1.00 0.00 H new ATOM 1895 N HIS A 124 4.435 17.845 -18.537 1.00 0.00 N ATOM 1896 CA HIS A 124 5.367 18.941 -18.738 1.00 0.00 C ATOM 1897 C HIS A 124 4.486 20.101 -19.137 1.00 0.00 C ATOM 1898 O HIS A 124 4.733 21.227 -18.666 1.00 0.00 O ATOM 1899 CB HIS A 124 6.494 18.622 -19.742 1.00 0.00 C ATOM 1900 CG HIS A 124 6.266 18.914 -21.212 1.00 0.00 C ATOM 1901 ND1 HIS A 124 7.181 19.534 -22.046 1.00 0.00 N ATOM 1902 CD2 HIS A 124 5.152 18.629 -21.955 1.00 0.00 C ATOM 1903 CE1 HIS A 124 6.622 19.636 -23.264 1.00 0.00 C ATOM 1904 NE2 HIS A 124 5.399 19.078 -23.237 1.00 0.00 N ATOM 0 H HIS A 124 3.693 17.817 -19.237 1.00 0.00 H new ATOM 0 HA HIS A 124 5.940 19.165 -17.838 1.00 0.00 H new ATOM 0 HB2 HIS A 124 7.381 19.174 -19.429 1.00 0.00 H new ATOM 0 HB3 HIS A 124 6.729 17.562 -19.649 1.00 0.00 H new ATOM 0 HD2 HIS A 124 4.252 18.145 -21.605 1.00 0.00 H new ATOM 0 HE1 HIS A 124 7.082 20.094 -24.127 1.00 0.00 H new ATOM 0 HE2 HIS A 124 4.762 19.000 -24.029 1.00 0.00 H new TER 1913 HIS A 124