USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 MET CE :methyl -151:sc= -1.11 (180deg=-1.03) USER MOD Set 1.2: A 70 HIS : no HE2:sc= -1.26 K(o=-2.4,f=-3.3!) USER MOD Set 2.1: A 20 CYS SG : rot 180:sc= 0.115 USER MOD Set 2.2: A 42 CYS SG : rot 123:sc= -1.99 USER MOD Set 3.1: A 15 SER OG : rot -114:sc= 1.35 USER MOD Set 3.2: A 17 SER OG : rot 150:sc= 0.978 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= -0.424 (180deg=-1.79!) USER MOD Single : A 2 SER OG : rot 130:sc= 1.13 USER MOD Single : A 5 ASN : amide:sc= -13.4! C(o=-13!,f=-12!) USER MOD Single : A 9 ASN : amide:sc= -3.18! C(o=-3.2!,f=-7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= -2.99! (180deg=-3.17!) USER MOD Single : A 23 CYS SG : rot 25:sc= -1.89! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -12.5! C(o=-12!,f=-14!) USER MOD Single : A 43 CYS SG : rot 180:sc= -1.21 USER MOD Single : A 46 CYS SG : rot -172:sc= -1.35 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.1!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= -1.56 (180deg=-1.73) USER MOD Single : A 60 HIS : no HD1:sc= -0.592 X(o=-0.59,f=-1.1) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.195 K(o=-0.19,f=-0.73) USER MOD Single : A 65 ASN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.248 K(o=-0.25,f=-2.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.1!) USER MOD Single : A 84 LYS NZ :NH3+ -144:sc= -0.18 (180deg=-0.883) USER MOD Single : A 85 ASN : amide:sc= -5.45! C(o=-5.4!,f=-16!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -142:sc= -0.655 (180deg=-2.83!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.651 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.068 15.089 -5.614 1.00 0.00 N ATOM 2 CA MET A 1 6.716 15.047 -5.086 1.00 0.00 C ATOM 3 C MET A 1 6.518 13.828 -4.182 1.00 0.00 C ATOM 4 O MET A 1 7.366 12.938 -4.140 1.00 0.00 O ATOM 5 CB MET A 1 5.717 14.992 -6.244 1.00 0.00 C ATOM 6 CG MET A 1 6.194 14.031 -7.335 1.00 0.00 C ATOM 7 SD MET A 1 5.386 14.411 -8.880 1.00 0.00 S ATOM 8 CE MET A 1 6.806 14.834 -9.876 1.00 0.00 C ATOM 0 H1 MET A 1 8.079 15.638 -6.497 1.00 0.00 H new ATOM 0 H2 MET A 1 8.698 15.538 -4.919 1.00 0.00 H new ATOM 0 H3 MET A 1 8.396 14.121 -5.805 1.00 0.00 H new ATOM 0 HA MET A 1 6.549 15.946 -4.493 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.743 14.673 -5.874 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.587 15.989 -6.664 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.275 14.108 -7.452 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.978 13.003 -7.045 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.479 15.100 -10.881 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.326 15.681 -9.428 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.481 13.980 -9.928 1.00 0.00 H new ATOM 16 N SER A 2 5.393 13.827 -3.482 1.00 0.00 N ATOM 17 CA SER A 2 5.074 12.733 -2.582 1.00 0.00 C ATOM 18 C SER A 2 3.745 12.092 -2.988 1.00 0.00 C ATOM 19 O SER A 2 2.719 12.768 -3.047 1.00 0.00 O ATOM 20 CB SER A 2 5.009 13.214 -1.130 1.00 0.00 C ATOM 21 OG SER A 2 5.490 14.547 -0.989 1.00 0.00 O ATOM 0 H SER A 2 4.692 14.567 -3.520 1.00 0.00 H new ATOM 0 HA SER A 2 5.867 11.989 -2.655 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.980 13.160 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.598 12.547 -0.500 1.00 0.00 H new ATOM 0 HG SER A 2 4.841 15.077 -0.481 1.00 0.00 H new ATOM 26 N GLU A 3 3.806 10.796 -3.257 1.00 0.00 N ATOM 27 CA GLU A 3 2.621 10.057 -3.656 1.00 0.00 C ATOM 28 C GLU A 3 2.655 8.643 -3.074 1.00 0.00 C ATOM 29 O GLU A 3 3.645 7.929 -3.230 1.00 0.00 O ATOM 30 CB GLU A 3 2.483 10.022 -5.178 1.00 0.00 C ATOM 31 CG GLU A 3 2.288 11.429 -5.745 1.00 0.00 C ATOM 32 CD GLU A 3 1.328 11.412 -6.938 1.00 0.00 C ATOM 33 OE1 GLU A 3 1.620 10.772 -7.958 1.00 0.00 O ATOM 34 OE2 GLU A 3 0.246 12.095 -6.776 1.00 0.00 O ATOM 0 H GLU A 3 4.659 10.239 -3.206 1.00 0.00 H new ATOM 0 HA GLU A 3 1.746 10.570 -3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.372 9.570 -5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.636 9.394 -5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.897 12.087 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.250 11.837 -6.054 1.00 0.00 H new ATOM 40 N VAL A 4 1.564 8.279 -2.417 1.00 0.00 N ATOM 41 CA VAL A 4 1.459 6.963 -1.812 1.00 0.00 C ATOM 42 C VAL A 4 0.350 6.173 -2.510 1.00 0.00 C ATOM 43 O VAL A 4 -0.703 6.723 -2.829 1.00 0.00 O ATOM 44 CB VAL A 4 1.239 7.097 -0.304 1.00 0.00 C ATOM 45 CG1 VAL A 4 -0.221 7.430 0.011 1.00 0.00 C ATOM 46 CG2 VAL A 4 1.682 5.828 0.429 1.00 0.00 C ATOM 0 H VAL A 4 0.745 8.873 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 4 2.387 6.407 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 4 1.855 7.923 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.349 7.520 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.490 8.372 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.865 6.636 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.515 5.949 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.105 4.978 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.742 5.653 0.245 1.00 0.00 H new ATOM 56 N ASN A 5 0.624 4.895 -2.728 1.00 0.00 N ATOM 57 CA ASN A 5 -0.337 4.025 -3.382 1.00 0.00 C ATOM 58 C ASN A 5 -0.274 2.634 -2.746 1.00 0.00 C ATOM 59 O ASN A 5 0.793 2.026 -2.679 1.00 0.00 O ATOM 60 CB ASN A 5 -0.023 3.878 -4.872 1.00 0.00 C ATOM 61 CG ASN A 5 -1.287 4.038 -5.718 1.00 0.00 C ATOM 62 OD1 ASN A 5 -2.401 3.848 -5.257 1.00 0.00 O ATOM 63 ND2 ASN A 5 -1.054 4.397 -6.977 1.00 0.00 N ATOM 0 H ASN A 5 1.498 4.442 -2.463 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.326 4.467 -3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.713 4.625 -5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.422 2.901 -5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.833 4.530 -7.622 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -0.096 4.540 -7.298 1.00 0.00 H new ATOM 69 N ILE A 6 -1.431 2.170 -2.297 1.00 0.00 N ATOM 70 CA ILE A 6 -1.522 0.863 -1.670 1.00 0.00 C ATOM 71 C ILE A 6 -2.798 0.163 -2.141 1.00 0.00 C ATOM 72 O ILE A 6 -3.883 0.737 -2.080 1.00 0.00 O ATOM 73 CB ILE A 6 -1.415 0.990 -0.149 1.00 0.00 C ATOM 74 CG1 ILE A 6 -1.279 -0.385 0.508 1.00 0.00 C ATOM 75 CG2 ILE A 6 -2.595 1.782 0.418 1.00 0.00 C ATOM 76 CD1 ILE A 6 -0.375 -0.317 1.741 1.00 0.00 C ATOM 0 H ILE A 6 -2.314 2.677 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.684 0.236 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.509 1.549 0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.264 -0.754 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.869 -1.096 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.495 1.858 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.605 2.782 -0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.527 1.271 0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.295 -1.308 2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.616 0.029 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.801 0.376 2.467 1.00 0.00 H new ATOM 87 N VAL A 7 -2.625 -1.068 -2.599 1.00 0.00 N ATOM 88 CA VAL A 7 -3.749 -1.853 -3.081 1.00 0.00 C ATOM 89 C VAL A 7 -3.564 -3.312 -2.660 1.00 0.00 C ATOM 90 O VAL A 7 -2.477 -3.870 -2.800 1.00 0.00 O ATOM 91 CB VAL A 7 -3.897 -1.682 -4.594 1.00 0.00 C ATOM 92 CG1 VAL A 7 -2.677 -2.239 -5.330 1.00 0.00 C ATOM 93 CG2 VAL A 7 -5.187 -2.334 -5.095 1.00 0.00 C ATOM 0 H VAL A 7 -1.723 -1.542 -2.647 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.679 -1.501 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.957 -0.615 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.807 -2.105 -6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.782 -1.709 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.571 -3.301 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.268 -2.198 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.170 -3.399 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.043 -1.870 -4.605 1.00 0.00 H new ATOM 103 N VAL A 8 -4.643 -3.889 -2.151 1.00 0.00 N ATOM 104 CA VAL A 8 -4.614 -5.273 -1.708 1.00 0.00 C ATOM 105 C VAL A 8 -5.950 -5.938 -2.042 1.00 0.00 C ATOM 106 O VAL A 8 -6.983 -5.583 -1.478 1.00 0.00 O ATOM 107 CB VAL A 8 -4.269 -5.338 -0.219 1.00 0.00 C ATOM 108 CG1 VAL A 8 -3.883 -6.760 0.192 1.00 0.00 C ATOM 109 CG2 VAL A 8 -3.158 -4.345 0.131 1.00 0.00 C ATOM 0 H VAL A 8 -5.543 -3.423 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.835 -5.827 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.159 -5.056 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.642 -6.779 1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.717 -7.434 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.014 -7.082 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.932 -4.412 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.264 -4.582 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.486 -3.333 -0.107 1.00 0.00 H new ATOM 119 N ASN A 9 -5.886 -6.894 -2.959 1.00 0.00 N ATOM 120 CA ASN A 9 -7.078 -7.612 -3.375 1.00 0.00 C ATOM 121 C ASN A 9 -6.923 -9.094 -3.025 1.00 0.00 C ATOM 122 O ASN A 9 -6.085 -9.787 -3.600 1.00 0.00 O ATOM 123 CB ASN A 9 -7.288 -7.503 -4.886 1.00 0.00 C ATOM 124 CG ASN A 9 -8.358 -8.486 -5.364 1.00 0.00 C ATOM 125 OD1 ASN A 9 -8.123 -9.674 -5.515 1.00 0.00 O ATOM 126 ND2 ASN A 9 -9.544 -7.928 -5.592 1.00 0.00 N ATOM 0 H ASN A 9 -5.027 -7.187 -3.425 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.933 -7.173 -2.860 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.583 -6.486 -5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.349 -7.703 -5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.324 -8.501 -5.913 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.673 -6.927 -5.446 1.00 0.00 H new ATOM 132 N GLY A 10 -7.744 -9.536 -2.084 1.00 0.00 N ATOM 133 CA GLY A 10 -7.709 -10.922 -1.651 1.00 0.00 C ATOM 134 C GLY A 10 -6.519 -11.177 -0.724 1.00 0.00 C ATOM 135 O GLY A 10 -5.857 -12.209 -0.826 1.00 0.00 O ATOM 0 H GLY A 10 -8.438 -8.958 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.636 -11.169 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.644 -11.577 -2.520 1.00 0.00 H new ATOM 139 N ARG A 11 -6.282 -10.218 0.159 1.00 0.00 N ATOM 140 CA ARG A 11 -5.182 -10.325 1.104 1.00 0.00 C ATOM 141 C ARG A 11 -3.993 -11.036 0.455 1.00 0.00 C ATOM 142 O ARG A 11 -3.448 -11.984 1.020 1.00 0.00 O ATOM 143 CB ARG A 11 -5.606 -11.093 2.357 1.00 0.00 C ATOM 144 CG ARG A 11 -6.784 -12.023 2.059 1.00 0.00 C ATOM 145 CD ARG A 11 -8.070 -11.224 1.839 1.00 0.00 C ATOM 146 NE ARG A 11 -9.110 -11.663 2.796 1.00 0.00 N ATOM 147 CZ ARG A 11 -9.884 -12.755 2.625 1.00 0.00 C ATOM 148 NH1 ARG A 11 -9.745 -13.528 1.528 1.00 0.00 N ATOM 149 NH2 ARG A 11 -10.782 -13.053 3.546 1.00 0.00 N ATOM 0 H ARG A 11 -6.833 -9.363 0.240 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.892 -9.315 1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.765 -11.675 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.883 -10.390 3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.566 -12.620 1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.921 -12.719 2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.873 -10.160 1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.423 -11.362 0.817 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.251 -11.105 3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.051 -13.289 0.820 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.334 -14.352 1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.882 -12.461 4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.375 -13.875 3.433 1.00 0.00 H new ATOM 159 N GLU A 12 -3.625 -10.552 -0.721 1.00 0.00 N ATOM 160 CA GLU A 12 -2.510 -11.130 -1.452 1.00 0.00 C ATOM 161 C GLU A 12 -1.218 -10.375 -1.134 1.00 0.00 C ATOM 162 O GLU A 12 -1.198 -9.145 -1.133 1.00 0.00 O ATOM 163 CB GLU A 12 -2.785 -11.135 -2.957 1.00 0.00 C ATOM 164 CG GLU A 12 -1.530 -11.522 -3.743 1.00 0.00 C ATOM 165 CD GLU A 12 -1.789 -12.748 -4.621 1.00 0.00 C ATOM 166 OE1 GLU A 12 -1.737 -12.648 -5.856 1.00 0.00 O ATOM 167 OE2 GLU A 12 -2.054 -13.834 -3.977 1.00 0.00 O ATOM 0 H GLU A 12 -4.079 -9.766 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.390 -12.166 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.589 -11.836 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.125 -10.148 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.214 -10.685 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.714 -11.731 -3.052 1.00 0.00 H new ATOM 173 N ALA A 13 -0.171 -11.143 -0.872 1.00 0.00 N ATOM 174 CA ALA A 13 1.122 -10.562 -0.552 1.00 0.00 C ATOM 175 C ALA A 13 2.123 -10.916 -1.654 1.00 0.00 C ATOM 176 O ALA A 13 2.139 -12.045 -2.143 1.00 0.00 O ATOM 177 CB ALA A 13 1.575 -11.050 0.826 1.00 0.00 C ATOM 0 H ALA A 13 -0.191 -12.163 -0.875 1.00 0.00 H new ATOM 0 HA ALA A 13 1.053 -9.475 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.545 -10.614 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.845 -10.747 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.658 -12.137 0.818 1.00 0.00 H new ATOM 183 N GLY A 14 2.932 -9.931 -2.014 1.00 0.00 N ATOM 184 CA GLY A 14 3.932 -10.125 -3.049 1.00 0.00 C ATOM 185 C GLY A 14 4.959 -8.990 -3.041 1.00 0.00 C ATOM 186 O GLY A 14 5.539 -8.665 -4.075 1.00 0.00 O ATOM 0 H GLY A 14 2.915 -8.996 -1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.438 -11.079 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.447 -10.174 -4.024 1.00 0.00 H new ATOM 190 N SER A 15 5.150 -8.418 -1.860 1.00 0.00 N ATOM 191 CA SER A 15 6.096 -7.327 -1.703 1.00 0.00 C ATOM 192 C SER A 15 6.975 -7.569 -0.475 1.00 0.00 C ATOM 193 O SER A 15 6.710 -8.475 0.314 1.00 0.00 O ATOM 194 CB SER A 15 5.372 -5.984 -1.582 1.00 0.00 C ATOM 195 OG SER A 15 5.778 -5.262 -0.423 1.00 0.00 O ATOM 0 H SER A 15 4.666 -8.690 -1.004 1.00 0.00 H new ATOM 0 HA SER A 15 6.727 -7.290 -2.591 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.569 -5.384 -2.470 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.296 -6.154 -1.545 1.00 0.00 H new ATOM 0 HG SER A 15 5.024 -5.190 0.199 1.00 0.00 H new ATOM 200 N LYS A 16 8.003 -6.742 -0.349 1.00 0.00 N ATOM 201 CA LYS A 16 8.921 -6.855 0.771 1.00 0.00 C ATOM 202 C LYS A 16 8.323 -6.150 1.989 1.00 0.00 C ATOM 203 O LYS A 16 9.011 -5.933 2.986 1.00 0.00 O ATOM 204 CB LYS A 16 10.308 -6.338 0.380 1.00 0.00 C ATOM 205 CG LYS A 16 10.834 -7.063 -0.860 1.00 0.00 C ATOM 206 CD LYS A 16 11.134 -8.531 -0.551 1.00 0.00 C ATOM 207 CE LYS A 16 11.900 -9.187 -1.701 1.00 0.00 C ATOM 208 NZ LYS A 16 13.342 -8.869 -1.611 1.00 0.00 N ATOM 0 H LYS A 16 8.220 -5.991 -1.004 1.00 0.00 H new ATOM 0 HA LYS A 16 9.061 -7.901 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.259 -5.267 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.000 -6.480 1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.099 -6.999 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.739 -6.571 -1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.718 -8.601 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.201 -9.068 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.757 -10.267 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.504 -8.839 -2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.847 -9.322 -2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.474 -7.839 -1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.720 -9.222 -0.709 1.00 0.00 H new ATOM 217 N SER A 17 7.048 -5.811 1.871 1.00 0.00 N ATOM 218 CA SER A 17 6.348 -5.135 2.950 1.00 0.00 C ATOM 219 C SER A 17 5.877 -6.156 3.988 1.00 0.00 C ATOM 220 O SER A 17 5.483 -5.786 5.093 1.00 0.00 O ATOM 221 CB SER A 17 5.160 -4.331 2.418 1.00 0.00 C ATOM 222 OG SER A 17 4.393 -5.073 1.474 1.00 0.00 O ATOM 0 H SER A 17 6.480 -5.992 1.043 1.00 0.00 H new ATOM 0 HA SER A 17 7.040 -4.438 3.423 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.522 -4.034 3.250 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.522 -3.415 1.951 1.00 0.00 H new ATOM 0 HG SER A 17 3.457 -4.785 1.515 1.00 0.00 H new ATOM 227 N LYS A 18 5.931 -7.420 3.595 1.00 0.00 N ATOM 228 CA LYS A 18 5.515 -8.496 4.478 1.00 0.00 C ATOM 229 C LYS A 18 6.269 -8.382 5.805 1.00 0.00 C ATOM 230 O LYS A 18 5.701 -8.627 6.868 1.00 0.00 O ATOM 231 CB LYS A 18 5.685 -9.851 3.788 1.00 0.00 C ATOM 232 CG LYS A 18 4.415 -10.244 3.031 1.00 0.00 C ATOM 233 CD LYS A 18 3.543 -11.180 3.872 1.00 0.00 C ATOM 234 CE LYS A 18 2.432 -10.402 4.581 1.00 0.00 C ATOM 235 NZ LYS A 18 1.352 -10.058 3.630 1.00 0.00 N ATOM 0 H LYS A 18 6.256 -7.723 2.677 1.00 0.00 H new ATOM 0 HA LYS A 18 4.453 -8.412 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.526 -9.808 3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.921 -10.614 4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.850 -9.349 2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.682 -10.734 2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.105 -11.947 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.160 -11.694 4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.028 -10.998 5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.841 -9.492 5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.639 -9.473 4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.751 -9.529 2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.906 -10.930 3.281 1.00 0.00 H new ATOM 244 N GLY A 19 7.537 -8.012 5.698 1.00 0.00 N ATOM 245 CA GLY A 19 8.374 -7.862 6.877 1.00 0.00 C ATOM 246 C GLY A 19 8.057 -6.559 7.613 1.00 0.00 C ATOM 247 O GLY A 19 6.896 -6.165 7.713 1.00 0.00 O ATOM 0 H GLY A 19 8.005 -7.812 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.220 -8.708 7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.424 -7.873 6.585 1.00 0.00 H new ATOM 251 N CYS A 20 9.110 -5.927 8.110 1.00 0.00 N ATOM 252 CA CYS A 20 8.958 -4.676 8.833 1.00 0.00 C ATOM 253 C CYS A 20 9.392 -3.533 7.914 1.00 0.00 C ATOM 254 O CYS A 20 10.140 -3.748 6.962 1.00 0.00 O ATOM 255 CB CYS A 20 9.746 -4.684 10.145 1.00 0.00 C ATOM 256 SG CYS A 20 10.312 -6.382 10.527 1.00 0.00 S ATOM 0 H CYS A 20 10.071 -6.258 8.026 1.00 0.00 H new ATOM 0 HA CYS A 20 7.913 -4.538 9.112 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.603 -4.015 10.068 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.121 -4.309 10.956 1.00 0.00 H new ATOM 0 HG CYS A 20 10.981 -6.376 11.641 1.00 0.00 H new ATOM 261 N ALA A 21 8.904 -2.343 8.231 1.00 0.00 N ATOM 262 CA ALA A 21 9.231 -1.166 7.446 1.00 0.00 C ATOM 263 C ALA A 21 10.749 -1.075 7.279 1.00 0.00 C ATOM 264 O ALA A 21 11.238 -0.469 6.327 1.00 0.00 O ATOM 265 CB ALA A 21 8.643 0.077 8.118 1.00 0.00 C ATOM 0 H ALA A 21 8.284 -2.169 9.022 1.00 0.00 H new ATOM 0 HA ALA A 21 8.793 -1.236 6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.889 0.960 7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.560 -0.024 8.186 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.061 0.181 9.119 1.00 0.00 H new ATOM 271 N LEU A 22 11.453 -1.686 8.221 1.00 0.00 N ATOM 272 CA LEU A 22 12.906 -1.682 8.190 1.00 0.00 C ATOM 273 C LEU A 22 13.390 -2.557 7.032 1.00 0.00 C ATOM 274 O LEU A 22 14.078 -2.077 6.132 1.00 0.00 O ATOM 275 CB LEU A 22 13.471 -2.096 9.551 1.00 0.00 C ATOM 276 CG LEU A 22 14.995 -2.069 9.680 1.00 0.00 C ATOM 277 CD1 LEU A 22 15.628 -3.270 8.974 1.00 0.00 C ATOM 278 CD2 LEU A 22 15.565 -0.742 9.174 1.00 0.00 C ATOM 0 H LEU A 22 11.044 -2.187 9.010 1.00 0.00 H new ATOM 0 HA LEU A 22 13.281 -0.675 8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.050 -1.439 10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.125 -3.105 9.774 1.00 0.00 H new ATOM 0 HG LEU A 22 15.249 -2.147 10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.712 -3.226 9.082 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.256 -4.192 9.421 1.00 0.00 H new ATOM 0 HD13 LEU A 22 15.367 -3.249 7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.650 -0.749 9.277 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.301 -0.609 8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.150 0.079 9.759 1.00 0.00 H new ATOM 289 N CYS A 23 13.012 -3.825 7.091 1.00 0.00 N ATOM 290 CA CYS A 23 13.399 -4.771 6.058 1.00 0.00 C ATOM 291 C CYS A 23 12.229 -5.730 5.822 1.00 0.00 C ATOM 292 O CYS A 23 11.298 -5.786 6.622 1.00 0.00 O ATOM 293 CB CYS A 23 14.682 -5.517 6.427 1.00 0.00 C ATOM 294 SG CYS A 23 16.143 -4.534 5.929 1.00 0.00 S ATOM 0 H CYS A 23 12.441 -4.220 7.839 1.00 0.00 H new ATOM 0 HA CYS A 23 13.621 -4.235 5.135 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.708 -5.704 7.501 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.702 -6.489 5.934 1.00 0.00 H new ATOM 0 HG CYS A 23 15.819 -3.276 5.867 1.00 0.00 H new ATOM 299 N GLY A 24 12.317 -6.457 4.719 1.00 0.00 N ATOM 300 CA GLY A 24 11.277 -7.410 4.366 1.00 0.00 C ATOM 301 C GLY A 24 11.803 -8.845 4.438 1.00 0.00 C ATOM 302 O GLY A 24 11.961 -9.504 3.411 1.00 0.00 O ATOM 0 H GLY A 24 13.092 -6.406 4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.429 -7.295 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.914 -7.202 3.360 1.00 0.00 H new ATOM 306 N ALA A 25 12.057 -9.288 5.660 1.00 0.00 N ATOM 307 CA ALA A 25 12.560 -10.634 5.879 1.00 0.00 C ATOM 308 C ALA A 25 11.467 -11.483 6.530 1.00 0.00 C ATOM 309 O ALA A 25 11.381 -12.685 6.284 1.00 0.00 O ATOM 310 CB ALA A 25 13.832 -10.571 6.728 1.00 0.00 C ATOM 0 H ALA A 25 11.924 -8.739 6.509 1.00 0.00 H new ATOM 0 HA ALA A 25 12.822 -11.105 4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.210 -11.580 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.587 -9.981 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.606 -10.107 7.688 1.00 0.00 H new ATOM 316 N THR A 26 10.657 -10.824 7.347 1.00 0.00 N ATOM 317 CA THR A 26 9.573 -11.504 8.034 1.00 0.00 C ATOM 318 C THR A 26 8.298 -11.464 7.190 1.00 0.00 C ATOM 319 O THR A 26 8.147 -10.600 6.328 1.00 0.00 O ATOM 320 CB THR A 26 9.409 -10.860 9.413 1.00 0.00 C ATOM 321 OG1 THR A 26 10.745 -10.720 9.891 1.00 0.00 O ATOM 322 CG2 THR A 26 8.748 -11.799 10.422 1.00 0.00 C ATOM 0 H THR A 26 10.730 -9.827 7.548 1.00 0.00 H new ATOM 0 HA THR A 26 9.797 -12.561 8.177 1.00 0.00 H new ATOM 0 HB THR A 26 8.815 -9.951 9.321 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.733 -10.308 10.780 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.655 -11.293 11.383 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.758 -12.080 10.063 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.359 -12.694 10.540 1.00 0.00 H new ATOM 330 N TRP A 27 7.413 -12.411 7.466 1.00 0.00 N ATOM 331 CA TRP A 27 6.156 -12.494 6.743 1.00 0.00 C ATOM 332 C TRP A 27 5.056 -12.850 7.745 1.00 0.00 C ATOM 333 O TRP A 27 5.290 -13.607 8.686 1.00 0.00 O ATOM 334 CB TRP A 27 6.255 -13.490 5.586 1.00 0.00 C ATOM 335 CG TRP A 27 7.689 -13.883 5.222 1.00 0.00 C ATOM 336 CD1 TRP A 27 8.552 -13.221 4.439 1.00 0.00 C ATOM 337 CD2 TRP A 27 8.397 -15.060 5.663 1.00 0.00 C ATOM 338 NE1 TRP A 27 9.758 -13.883 4.342 1.00 0.00 N ATOM 339 CE2 TRP A 27 9.661 -15.038 5.112 1.00 0.00 C ATOM 340 CE3 TRP A 27 7.981 -16.110 6.502 1.00 0.00 C ATOM 341 CZ2 TRP A 27 10.614 -16.038 5.337 1.00 0.00 C ATOM 342 CZ3 TRP A 27 8.945 -17.102 6.718 1.00 0.00 C ATOM 343 CH2 TRP A 27 10.223 -17.094 6.168 1.00 0.00 C ATOM 0 H TRP A 27 7.542 -13.127 8.181 1.00 0.00 H new ATOM 0 HA TRP A 27 5.911 -11.536 6.284 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.698 -14.390 5.846 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.773 -13.060 4.708 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.331 -12.286 3.946 1.00 0.00 H new ATOM 0 HE1 TRP A 27 10.571 -13.582 3.805 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.996 -16.148 6.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 11.598 -15.997 4.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 8.678 -17.931 7.356 1.00 0.00 H new ATOM 0 HH2 TRP A 27 10.910 -17.899 6.381 1.00 0.00 H new ATOM 353 N GLY A 28 3.880 -12.287 7.509 1.00 0.00 N ATOM 354 CA GLY A 28 2.744 -12.535 8.380 1.00 0.00 C ATOM 355 C GLY A 28 1.443 -12.057 7.733 1.00 0.00 C ATOM 356 O GLY A 28 1.276 -10.866 7.472 1.00 0.00 O ATOM 0 H GLY A 28 3.689 -11.660 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.675 -13.600 8.599 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.891 -12.023 9.331 1.00 0.00 H new ATOM 360 N ASP A 29 0.553 -13.009 7.492 1.00 0.00 N ATOM 361 CA ASP A 29 -0.728 -12.700 6.881 1.00 0.00 C ATOM 362 C ASP A 29 -1.771 -12.476 7.977 1.00 0.00 C ATOM 363 O ASP A 29 -2.623 -11.596 7.859 1.00 0.00 O ATOM 364 CB ASP A 29 -1.209 -13.853 5.999 1.00 0.00 C ATOM 365 CG ASP A 29 -0.306 -14.176 4.807 1.00 0.00 C ATOM 366 OD1 ASP A 29 0.896 -14.430 4.968 1.00 0.00 O ATOM 367 OD2 ASP A 29 -0.892 -14.161 3.658 1.00 0.00 O ATOM 0 H ASP A 29 0.694 -13.995 7.709 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.603 -11.806 6.270 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.305 -14.747 6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.205 -13.614 5.627 1.00 0.00 H new ATOM 372 N TYR A 30 -1.670 -13.288 9.020 1.00 0.00 N ATOM 373 CA TYR A 30 -2.594 -13.189 10.137 1.00 0.00 C ATOM 374 C TYR A 30 -2.704 -11.746 10.632 1.00 0.00 C ATOM 375 O TYR A 30 -3.684 -11.380 11.281 1.00 0.00 O ATOM 376 CB TYR A 30 -2.003 -14.055 11.251 1.00 0.00 C ATOM 377 CG TYR A 30 -2.725 -15.388 11.455 1.00 0.00 C ATOM 378 CD1 TYR A 30 -3.015 -16.188 10.367 1.00 0.00 C ATOM 379 CD2 TYR A 30 -3.088 -15.789 12.723 1.00 0.00 C ATOM 380 CE1 TYR A 30 -3.695 -17.443 10.559 1.00 0.00 C ATOM 381 CE2 TYR A 30 -3.769 -17.044 12.914 1.00 0.00 C ATOM 382 CZ TYR A 30 -4.038 -17.809 11.822 1.00 0.00 C ATOM 383 OH TYR A 30 -4.680 -18.994 12.003 1.00 0.00 O ATOM 0 H TYR A 30 -0.963 -14.017 9.115 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.591 -13.513 9.840 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.955 -14.252 11.026 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.028 -13.494 12.185 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.732 -15.873 9.373 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.862 -15.162 13.573 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.927 -18.079 9.718 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.059 -17.370 13.902 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.862 -19.125 12.957 1.00 0.00 H new ATOM 392 N HIS A 31 -1.686 -10.964 10.307 1.00 0.00 N ATOM 393 CA HIS A 31 -1.655 -9.568 10.711 1.00 0.00 C ATOM 394 C HIS A 31 -2.282 -8.703 9.617 1.00 0.00 C ATOM 395 O HIS A 31 -2.567 -9.189 8.522 1.00 0.00 O ATOM 396 CB HIS A 31 -0.231 -9.135 11.066 1.00 0.00 C ATOM 397 CG HIS A 31 0.021 -7.656 10.897 1.00 0.00 C ATOM 398 ND1 HIS A 31 -0.154 -6.744 11.923 1.00 0.00 N ATOM 399 CD2 HIS A 31 0.438 -6.941 9.812 1.00 0.00 C ATOM 400 CE1 HIS A 31 0.147 -5.537 11.466 1.00 0.00 C ATOM 401 NE2 HIS A 31 0.512 -5.662 10.157 1.00 0.00 N ATOM 0 H HIS A 31 -0.876 -11.270 9.768 1.00 0.00 H new ATOM 0 HA HIS A 31 -2.248 -9.435 11.616 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.025 -9.412 12.100 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.472 -9.687 10.442 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.669 -7.347 8.838 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.110 -4.617 12.030 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.795 -4.897 9.544 1.00 0.00 H new ATOM 408 N ALA A 32 -2.479 -7.435 9.948 1.00 0.00 N ATOM 409 CA ALA A 32 -3.068 -6.498 9.007 1.00 0.00 C ATOM 410 C ALA A 32 -2.044 -5.413 8.668 1.00 0.00 C ATOM 411 O ALA A 32 -1.581 -4.694 9.551 1.00 0.00 O ATOM 412 CB ALA A 32 -4.356 -5.922 9.597 1.00 0.00 C ATOM 0 H ALA A 32 -2.241 -7.035 10.855 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.334 -7.002 8.078 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.797 -5.219 8.890 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.060 -6.731 9.792 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.130 -5.405 10.530 1.00 0.00 H new ATOM 418 N ASP A 33 -1.722 -5.328 7.385 1.00 0.00 N ATOM 419 CA ASP A 33 -0.761 -4.342 6.918 1.00 0.00 C ATOM 420 C ASP A 33 -1.485 -3.023 6.643 1.00 0.00 C ATOM 421 O ASP A 33 -2.548 -3.012 6.024 1.00 0.00 O ATOM 422 CB ASP A 33 -0.093 -4.797 5.619 1.00 0.00 C ATOM 423 CG ASP A 33 -1.028 -4.901 4.413 1.00 0.00 C ATOM 424 OD1 ASP A 33 -1.811 -5.856 4.293 1.00 0.00 O ATOM 425 OD2 ASP A 33 -0.932 -3.937 3.562 1.00 0.00 O ATOM 0 H ASP A 33 -2.109 -5.925 6.655 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.001 -4.219 7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.710 -4.101 5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.368 -5.770 5.787 1.00 0.00 H new ATOM 430 N PHE A 34 -0.879 -1.943 7.114 1.00 0.00 N ATOM 431 CA PHE A 34 -1.452 -0.621 6.925 1.00 0.00 C ATOM 432 C PHE A 34 -0.807 0.092 5.735 1.00 0.00 C ATOM 433 O PHE A 34 0.075 -0.461 5.080 1.00 0.00 O ATOM 434 CB PHE A 34 -1.166 0.177 8.198 1.00 0.00 C ATOM 435 CG PHE A 34 -1.751 -0.446 9.468 1.00 0.00 C ATOM 436 CD1 PHE A 34 -3.066 -0.793 9.511 1.00 0.00 C ATOM 437 CD2 PHE A 34 -0.958 -0.653 10.552 1.00 0.00 C ATOM 438 CE1 PHE A 34 -3.609 -1.370 10.689 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.501 -1.230 11.730 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.816 -1.577 11.774 1.00 0.00 C ATOM 0 H PHE A 34 0.003 -1.956 7.626 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.521 -0.704 6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.087 0.276 8.318 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.567 1.184 8.081 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.696 -0.630 8.649 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.086 -0.378 10.517 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.653 -1.645 10.723 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.870 -1.394 12.591 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.229 -2.016 12.670 1.00 0.00 H new ATOM 449 N LEU A 35 -1.273 1.308 5.491 1.00 0.00 N ATOM 450 CA LEU A 35 -0.753 2.102 4.391 1.00 0.00 C ATOM 451 C LEU A 35 0.776 2.116 4.457 1.00 0.00 C ATOM 452 O LEU A 35 1.444 2.257 3.434 1.00 0.00 O ATOM 453 CB LEU A 35 -1.381 3.497 4.393 1.00 0.00 C ATOM 454 CG LEU A 35 -2.178 3.874 3.143 1.00 0.00 C ATOM 455 CD1 LEU A 35 -3.131 5.036 3.429 1.00 0.00 C ATOM 456 CD2 LEU A 35 -1.246 4.174 1.967 1.00 0.00 C ATOM 0 H LEU A 35 -2.005 1.763 6.036 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.028 1.656 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.040 3.576 5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.587 4.231 4.529 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.790 3.018 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.685 5.283 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.830 4.749 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.558 5.905 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.839 4.439 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.589 5.005 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.645 3.292 1.745 1.00 0.00 H new ATOM 467 N GLY A 36 1.286 1.969 5.672 1.00 0.00 N ATOM 468 CA GLY A 36 2.723 1.964 5.885 1.00 0.00 C ATOM 469 C GLY A 36 3.400 0.892 5.028 1.00 0.00 C ATOM 470 O GLY A 36 4.543 1.061 4.606 1.00 0.00 O ATOM 0 H GLY A 36 0.729 1.853 6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.134 2.943 5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.938 1.782 6.938 1.00 0.00 H new ATOM 474 N GLU A 37 2.666 -0.186 4.796 1.00 0.00 N ATOM 475 CA GLU A 37 3.182 -1.285 3.998 1.00 0.00 C ATOM 476 C GLU A 37 4.244 -2.058 4.781 1.00 0.00 C ATOM 477 O GLU A 37 5.331 -2.319 4.269 1.00 0.00 O ATOM 478 CB GLU A 37 3.741 -0.780 2.666 1.00 0.00 C ATOM 479 CG GLU A 37 3.249 -1.642 1.501 1.00 0.00 C ATOM 480 CD GLU A 37 3.491 -0.943 0.162 1.00 0.00 C ATOM 481 OE1 GLU A 37 4.373 -1.359 -0.603 1.00 0.00 O ATOM 482 OE2 GLU A 37 2.724 0.066 -0.073 1.00 0.00 O ATOM 0 H GLU A 37 1.718 -0.322 5.147 1.00 0.00 H new ATOM 0 HA GLU A 37 2.359 -1.964 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.438 0.255 2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.830 -0.792 2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.764 -2.603 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.185 -1.849 1.621 1.00 0.00 H new ATOM 488 N ASP A 38 3.892 -2.403 6.011 1.00 0.00 N ATOM 489 CA ASP A 38 4.802 -3.142 6.871 1.00 0.00 C ATOM 490 C ASP A 38 3.992 -4.017 7.830 1.00 0.00 C ATOM 491 O ASP A 38 2.767 -3.928 7.873 1.00 0.00 O ATOM 492 CB ASP A 38 5.661 -2.193 7.708 1.00 0.00 C ATOM 493 CG ASP A 38 5.748 -0.760 7.177 1.00 0.00 C ATOM 494 OD1 ASP A 38 5.231 0.183 7.794 1.00 0.00 O ATOM 495 OD2 ASP A 38 6.387 -0.630 6.064 1.00 0.00 O ATOM 0 H ASP A 38 2.989 -2.185 6.433 1.00 0.00 H new ATOM 0 HA ASP A 38 5.448 -3.749 6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.262 -2.165 8.722 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.669 -2.602 7.773 1.00 0.00 H new ATOM 500 N LEU A 39 4.712 -4.845 8.574 1.00 0.00 N ATOM 501 CA LEU A 39 4.076 -5.736 9.529 1.00 0.00 C ATOM 502 C LEU A 39 4.394 -5.264 10.950 1.00 0.00 C ATOM 503 O LEU A 39 5.558 -5.207 11.343 1.00 0.00 O ATOM 504 CB LEU A 39 4.479 -7.187 9.258 1.00 0.00 C ATOM 505 CG LEU A 39 3.344 -8.136 8.869 1.00 0.00 C ATOM 506 CD1 LEU A 39 2.913 -7.909 7.419 1.00 0.00 C ATOM 507 CD2 LEU A 39 3.734 -9.593 9.129 1.00 0.00 C ATOM 0 H LEU A 39 5.729 -4.917 8.534 1.00 0.00 H new ATOM 0 HA LEU A 39 2.992 -5.704 9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.222 -7.194 8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.966 -7.581 10.150 1.00 0.00 H new ATOM 0 HG LEU A 39 2.483 -7.915 9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.105 -8.596 7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.567 -6.882 7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.760 -8.086 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.910 -10.247 8.844 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.616 -9.844 8.540 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.954 -9.727 10.188 1.00 0.00 H new ATOM 518 N PHE A 40 3.338 -4.939 11.681 1.00 0.00 N ATOM 519 CA PHE A 40 3.490 -4.473 13.049 1.00 0.00 C ATOM 520 C PHE A 40 3.157 -5.585 14.046 1.00 0.00 C ATOM 521 O PHE A 40 3.071 -5.340 15.249 1.00 0.00 O ATOM 522 CB PHE A 40 2.505 -3.319 13.242 1.00 0.00 C ATOM 523 CG PHE A 40 1.632 -3.448 14.492 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.776 -4.498 14.619 1.00 0.00 C ATOM 525 CD2 PHE A 40 1.711 -2.514 15.476 1.00 0.00 C ATOM 526 CE1 PHE A 40 -0.033 -4.618 15.779 1.00 0.00 C ATOM 527 CE2 PHE A 40 0.902 -2.633 16.637 1.00 0.00 C ATOM 528 CZ PHE A 40 0.047 -3.682 16.764 1.00 0.00 C ATOM 0 H PHE A 40 2.374 -4.989 11.352 1.00 0.00 H new ATOM 0 HA PHE A 40 4.520 -4.161 13.223 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.063 -2.384 13.296 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.860 -3.255 12.366 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.712 -5.240 13.837 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.390 -1.680 15.375 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.712 -5.452 15.880 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.966 -1.890 17.419 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.569 -3.773 17.647 1.00 0.00 H new ATOM 537 N PHE A 41 2.978 -6.783 13.510 1.00 0.00 N ATOM 538 CA PHE A 41 2.655 -7.933 14.338 1.00 0.00 C ATOM 539 C PHE A 41 3.903 -8.772 14.620 1.00 0.00 C ATOM 540 O PHE A 41 3.831 -9.783 15.318 1.00 0.00 O ATOM 541 CB PHE A 41 1.652 -8.781 13.553 1.00 0.00 C ATOM 542 CG PHE A 41 1.553 -10.230 14.033 1.00 0.00 C ATOM 543 CD1 PHE A 41 2.470 -11.147 13.624 1.00 0.00 C ATOM 544 CD2 PHE A 41 0.547 -10.603 14.870 1.00 0.00 C ATOM 545 CE1 PHE A 41 2.379 -12.493 14.070 1.00 0.00 C ATOM 546 CE2 PHE A 41 0.455 -11.948 15.315 1.00 0.00 C ATOM 547 CZ PHE A 41 1.373 -12.864 14.906 1.00 0.00 C ATOM 0 H PHE A 41 3.050 -6.983 12.512 1.00 0.00 H new ATOM 0 HA PHE A 41 2.248 -7.602 15.294 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.668 -8.318 13.622 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.933 -8.776 12.500 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.268 -10.852 12.959 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.182 -9.876 15.196 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.108 -13.221 13.745 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.344 -12.244 15.978 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.303 -13.887 15.245 1.00 0.00 H new ATOM 556 N CYS A 42 5.018 -8.323 14.064 1.00 0.00 N ATOM 557 CA CYS A 42 6.281 -9.019 14.247 1.00 0.00 C ATOM 558 C CYS A 42 7.155 -8.190 15.189 1.00 0.00 C ATOM 559 O CYS A 42 7.617 -8.688 16.213 1.00 0.00 O ATOM 560 CB CYS A 42 6.976 -9.291 12.912 1.00 0.00 C ATOM 561 SG CYS A 42 6.884 -7.806 11.845 1.00 0.00 S ATOM 0 H CYS A 42 5.074 -7.485 13.486 1.00 0.00 H new ATOM 0 HA CYS A 42 6.099 -9.998 14.691 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.018 -9.562 13.083 1.00 0.00 H new ATOM 0 HB3 CYS A 42 6.504 -10.138 12.413 1.00 0.00 H new ATOM 0 HG CYS A 42 8.085 -7.439 11.507 1.00 0.00 H new ATOM 566 N CYS A 43 7.355 -6.936 14.807 1.00 0.00 N ATOM 567 CA CYS A 43 8.167 -6.032 15.605 1.00 0.00 C ATOM 568 C CYS A 43 7.243 -4.987 16.234 1.00 0.00 C ATOM 569 O CYS A 43 7.168 -4.875 17.456 1.00 0.00 O ATOM 570 CB CYS A 43 9.277 -5.386 14.774 1.00 0.00 C ATOM 571 SG CYS A 43 10.701 -4.971 15.847 1.00 0.00 S ATOM 0 H CYS A 43 6.969 -6.525 13.957 1.00 0.00 H new ATOM 0 HA CYS A 43 8.672 -6.591 16.393 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.593 -6.066 13.983 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.902 -4.485 14.289 1.00 0.00 H new ATOM 0 HG CYS A 43 11.639 -4.425 15.131 1.00 0.00 H new ATOM 576 N ASP A 44 6.564 -4.247 15.370 1.00 0.00 N ATOM 577 CA ASP A 44 5.649 -3.215 15.825 1.00 0.00 C ATOM 578 C ASP A 44 6.432 -2.145 16.587 1.00 0.00 C ATOM 579 O ASP A 44 5.846 -1.325 17.292 1.00 0.00 O ATOM 580 CB ASP A 44 4.594 -3.792 16.771 1.00 0.00 C ATOM 581 CG ASP A 44 4.780 -3.428 18.246 1.00 0.00 C ATOM 582 OD1 ASP A 44 5.489 -4.121 18.990 1.00 0.00 O ATOM 583 OD2 ASP A 44 4.151 -2.369 18.629 1.00 0.00 O ATOM 0 H ASP A 44 6.630 -4.342 14.357 1.00 0.00 H new ATOM 0 HA ASP A 44 5.156 -2.792 14.950 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.611 -3.448 16.448 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.598 -4.878 16.677 1.00 0.00 H new ATOM 588 N ILE A 45 7.746 -2.188 16.420 1.00 0.00 N ATOM 589 CA ILE A 45 8.617 -1.233 17.084 1.00 0.00 C ATOM 590 C ILE A 45 9.088 -0.189 16.069 1.00 0.00 C ATOM 591 O ILE A 45 8.786 0.995 16.206 1.00 0.00 O ATOM 592 CB ILE A 45 9.760 -1.955 17.800 1.00 0.00 C ATOM 593 CG1 ILE A 45 9.226 -2.851 18.920 1.00 0.00 C ATOM 594 CG2 ILE A 45 10.803 -0.960 18.311 1.00 0.00 C ATOM 595 CD1 ILE A 45 10.293 -3.846 19.381 1.00 0.00 C ATOM 0 H ILE A 45 8.229 -2.870 15.834 1.00 0.00 H new ATOM 0 HA ILE A 45 8.073 -0.699 17.863 1.00 0.00 H new ATOM 0 HB ILE A 45 10.259 -2.603 17.079 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.909 -2.236 19.762 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.346 -3.391 18.570 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.604 -1.500 18.816 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.215 -0.401 17.471 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.334 -0.269 19.011 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.888 -4.471 20.177 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.591 -4.475 18.542 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.161 -3.302 19.753 1.00 0.00 H new ATOM 606 N CYS A 46 9.822 -0.667 15.076 1.00 0.00 N ATOM 607 CA CYS A 46 10.340 0.210 14.038 1.00 0.00 C ATOM 608 C CYS A 46 9.349 0.211 12.872 1.00 0.00 C ATOM 609 O CYS A 46 9.471 1.016 11.951 1.00 0.00 O ATOM 610 CB CYS A 46 11.744 -0.205 13.594 1.00 0.00 C ATOM 611 SG CYS A 46 11.645 -1.655 12.481 1.00 0.00 S ATOM 0 H CYS A 46 10.071 -1.650 14.967 1.00 0.00 H new ATOM 0 HA CYS A 46 10.440 1.222 14.430 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.232 0.624 13.082 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.354 -0.446 14.465 1.00 0.00 H new ATOM 0 HG CYS A 46 12.842 -2.102 12.243 1.00 0.00 H new ATOM 616 N ALA A 47 8.391 -0.700 12.951 1.00 0.00 N ATOM 617 CA ALA A 47 7.380 -0.815 11.913 1.00 0.00 C ATOM 618 C ALA A 47 6.099 -0.117 12.377 1.00 0.00 C ATOM 619 O ALA A 47 5.969 0.236 13.547 1.00 0.00 O ATOM 620 CB ALA A 47 7.153 -2.291 11.582 1.00 0.00 C ATOM 0 H ALA A 47 8.293 -1.366 13.718 1.00 0.00 H new ATOM 0 HA ALA A 47 7.711 -0.324 10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.395 -2.377 10.804 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.085 -2.733 11.231 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.817 -2.817 12.476 1.00 0.00 H new ATOM 626 N ALA A 48 5.185 0.058 11.433 1.00 0.00 N ATOM 627 CA ALA A 48 3.919 0.706 11.730 1.00 0.00 C ATOM 628 C ALA A 48 4.170 2.180 12.056 1.00 0.00 C ATOM 629 O ALA A 48 3.919 2.622 13.176 1.00 0.00 O ATOM 630 CB ALA A 48 3.222 -0.034 12.873 1.00 0.00 C ATOM 0 H ALA A 48 5.296 -0.238 10.463 1.00 0.00 H new ATOM 0 HA ALA A 48 3.256 0.668 10.866 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.272 0.452 13.096 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.040 -1.068 12.580 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.856 -0.014 13.759 1.00 0.00 H new ATOM 636 N GLU A 49 4.663 2.898 11.058 1.00 0.00 N ATOM 637 CA GLU A 49 4.950 4.313 11.225 1.00 0.00 C ATOM 638 C GLU A 49 3.684 5.142 10.999 1.00 0.00 C ATOM 639 O GLU A 49 2.994 4.967 9.996 1.00 0.00 O ATOM 640 CB GLU A 49 6.073 4.759 10.287 1.00 0.00 C ATOM 641 CG GLU A 49 7.303 5.209 11.079 1.00 0.00 C ATOM 642 CD GLU A 49 7.769 4.112 12.037 1.00 0.00 C ATOM 643 OE1 GLU A 49 7.967 2.963 11.616 1.00 0.00 O ATOM 644 OE2 GLU A 49 7.928 4.488 13.261 1.00 0.00 O ATOM 0 H GLU A 49 4.871 2.527 10.131 1.00 0.00 H new ATOM 0 HA GLU A 49 5.290 4.477 12.248 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.344 3.939 9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.722 5.577 9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.110 5.463 10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.067 6.112 11.642 1.00 0.00 H new ATOM 650 N PHE A 50 3.417 6.028 11.947 1.00 0.00 N ATOM 651 CA PHE A 50 2.247 6.885 11.864 1.00 0.00 C ATOM 652 C PHE A 50 2.467 8.017 10.859 1.00 0.00 C ATOM 653 O PHE A 50 1.589 8.855 10.661 1.00 0.00 O ATOM 654 CB PHE A 50 2.033 7.486 13.254 1.00 0.00 C ATOM 655 CG PHE A 50 2.057 9.016 13.280 1.00 0.00 C ATOM 656 CD1 PHE A 50 3.245 9.678 13.306 1.00 0.00 C ATOM 657 CD2 PHE A 50 0.890 9.715 13.278 1.00 0.00 C ATOM 658 CE1 PHE A 50 3.267 11.097 13.331 1.00 0.00 C ATOM 659 CE2 PHE A 50 0.912 11.135 13.302 1.00 0.00 C ATOM 660 CZ PHE A 50 2.101 11.796 13.328 1.00 0.00 C ATOM 0 H PHE A 50 3.992 6.171 12.777 1.00 0.00 H new ATOM 0 HA PHE A 50 1.384 6.306 11.535 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.076 7.141 13.644 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.805 7.109 13.925 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.172 9.124 13.308 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.054 9.190 13.258 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.211 11.622 13.352 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.015 11.690 13.300 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.118 12.876 13.346 1.00 0.00 H new ATOM 669 N MET A 51 3.645 8.006 10.252 1.00 0.00 N ATOM 670 CA MET A 51 3.991 9.022 9.273 1.00 0.00 C ATOM 671 C MET A 51 2.948 9.086 8.155 1.00 0.00 C ATOM 672 O MET A 51 2.875 10.073 7.425 1.00 0.00 O ATOM 673 CB MET A 51 5.363 8.706 8.673 1.00 0.00 C ATOM 674 CG MET A 51 6.087 9.988 8.256 1.00 0.00 C ATOM 675 SD MET A 51 7.408 9.600 7.119 1.00 0.00 S ATOM 676 CE MET A 51 8.788 9.557 8.249 1.00 0.00 C ATOM 0 H MET A 51 4.371 7.310 10.419 1.00 0.00 H new ATOM 0 HA MET A 51 4.017 9.989 9.775 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.966 8.164 9.401 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.244 8.053 7.808 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.384 10.677 7.788 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.489 10.491 9.135 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.701 9.326 7.700 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.892 10.528 8.733 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.616 8.791 9.005 1.00 0.00 H new ATOM 684 N ASN A 52 2.169 8.018 8.057 1.00 0.00 N ATOM 685 CA ASN A 52 1.133 7.941 7.040 1.00 0.00 C ATOM 686 C ASN A 52 -0.152 8.574 7.577 1.00 0.00 C ATOM 687 O ASN A 52 -0.165 9.118 8.680 1.00 0.00 O ATOM 688 CB ASN A 52 0.827 6.487 6.677 1.00 0.00 C ATOM 689 CG ASN A 52 1.520 6.090 5.371 1.00 0.00 C ATOM 690 OD1 ASN A 52 0.892 5.811 4.364 1.00 0.00 O ATOM 691 ND2 ASN A 52 2.849 6.080 5.446 1.00 0.00 N ATOM 0 H ASN A 52 2.234 7.201 8.664 1.00 0.00 H new ATOM 0 HA ASN A 52 1.489 8.468 6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.157 5.830 7.482 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.250 6.352 6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.404 5.828 4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.312 6.324 6.321 1.00 0.00 H new ATOM 697 N MET A 53 -1.201 8.482 6.774 1.00 0.00 N ATOM 698 CA MET A 53 -2.488 9.039 7.154 1.00 0.00 C ATOM 699 C MET A 53 -3.285 8.046 8.003 1.00 0.00 C ATOM 700 O MET A 53 -3.030 6.844 7.962 1.00 0.00 O ATOM 701 CB MET A 53 -3.284 9.391 5.897 1.00 0.00 C ATOM 702 CG MET A 53 -3.310 8.216 4.917 1.00 0.00 C ATOM 703 SD MET A 53 -2.162 8.509 3.582 1.00 0.00 S ATOM 704 CE MET A 53 -2.954 9.902 2.793 1.00 0.00 C ATOM 0 H MET A 53 -1.186 8.029 5.860 1.00 0.00 H new ATOM 0 HA MET A 53 -2.314 9.937 7.746 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.303 9.662 6.172 1.00 0.00 H new ATOM 0 HB3 MET A 53 -2.841 10.262 5.414 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.050 7.293 5.436 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.317 8.085 4.520 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.717 9.901 1.729 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.034 9.829 2.924 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.596 10.828 3.244 1.00 0.00 H new ATOM 712 N MET A 54 -4.234 8.588 8.753 1.00 0.00 N ATOM 713 CA MET A 54 -5.071 7.765 9.610 1.00 0.00 C ATOM 714 C MET A 54 -5.732 6.639 8.813 1.00 0.00 C ATOM 715 O MET A 54 -5.902 5.531 9.320 1.00 0.00 O ATOM 716 CB MET A 54 -6.150 8.635 10.257 1.00 0.00 C ATOM 717 CG MET A 54 -5.642 9.262 11.557 1.00 0.00 C ATOM 718 SD MET A 54 -6.317 8.390 12.960 1.00 0.00 S ATOM 719 CE MET A 54 -7.034 9.756 13.859 1.00 0.00 C ATOM 0 H MET A 54 -4.442 9.586 8.785 1.00 0.00 H new ATOM 0 HA MET A 54 -4.442 7.318 10.380 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.453 9.420 9.564 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.035 8.032 10.461 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.553 9.227 11.586 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.928 10.313 11.600 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.502 9.386 14.771 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.253 10.472 14.116 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.785 10.245 13.239 1.00 0.00 H new ATOM 727 N ASP A 55 -6.088 6.961 7.578 1.00 0.00 N ATOM 728 CA ASP A 55 -6.728 5.990 6.705 1.00 0.00 C ATOM 729 C ASP A 55 -5.985 4.656 6.804 1.00 0.00 C ATOM 730 O ASP A 55 -6.598 3.593 6.727 1.00 0.00 O ATOM 731 CB ASP A 55 -6.685 6.449 5.246 1.00 0.00 C ATOM 732 CG ASP A 55 -7.502 7.707 4.941 1.00 0.00 C ATOM 733 OD1 ASP A 55 -6.974 8.829 4.949 1.00 0.00 O ATOM 734 OD2 ASP A 55 -8.748 7.498 4.681 1.00 0.00 O ATOM 0 H ASP A 55 -5.946 7.881 7.161 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.767 5.886 7.019 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.647 6.632 4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.046 5.637 4.614 1.00 0.00 H new ATOM 739 N GLU A 56 -4.674 4.757 6.970 1.00 0.00 N ATOM 740 CA GLU A 56 -3.841 3.571 7.079 1.00 0.00 C ATOM 741 C GLU A 56 -4.487 2.553 8.021 1.00 0.00 C ATOM 742 O GLU A 56 -4.459 1.352 7.757 1.00 0.00 O ATOM 743 CB GLU A 56 -2.430 3.933 7.547 1.00 0.00 C ATOM 744 CG GLU A 56 -2.442 4.417 8.998 1.00 0.00 C ATOM 745 CD GLU A 56 -1.233 5.311 9.287 1.00 0.00 C ATOM 746 OE1 GLU A 56 -1.401 6.449 9.753 1.00 0.00 O ATOM 747 OE2 GLU A 56 -0.088 4.785 9.013 1.00 0.00 O ATOM 0 H GLU A 56 -4.169 5.641 7.032 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.756 3.119 6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.778 3.064 7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.018 4.710 6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.362 4.968 9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.435 3.560 9.671 1.00 0.00 H new ATOM 753 N ALA A 57 -5.054 3.071 9.101 1.00 0.00 N ATOM 754 CA ALA A 57 -5.705 2.222 10.085 1.00 0.00 C ATOM 755 C ALA A 57 -6.917 1.544 9.442 1.00 0.00 C ATOM 756 O ALA A 57 -7.051 0.322 9.499 1.00 0.00 O ATOM 757 CB ALA A 57 -6.086 3.058 11.308 1.00 0.00 C ATOM 0 H ALA A 57 -5.076 4.068 9.316 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.028 1.438 10.424 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.574 2.422 12.046 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.188 3.496 11.744 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.768 3.853 11.007 1.00 0.00 H new ATOM 763 N PHE A 58 -7.769 2.365 8.846 1.00 0.00 N ATOM 764 CA PHE A 58 -8.964 1.859 8.194 1.00 0.00 C ATOM 765 C PHE A 58 -8.604 0.921 7.040 1.00 0.00 C ATOM 766 O PHE A 58 -9.308 -0.057 6.787 1.00 0.00 O ATOM 767 CB PHE A 58 -9.716 3.069 7.635 1.00 0.00 C ATOM 768 CG PHE A 58 -10.397 3.926 8.705 1.00 0.00 C ATOM 769 CD1 PHE A 58 -11.041 3.330 9.745 1.00 0.00 C ATOM 770 CD2 PHE A 58 -10.360 5.283 8.615 1.00 0.00 C ATOM 771 CE1 PHE A 58 -11.672 4.126 10.737 1.00 0.00 C ATOM 772 CE2 PHE A 58 -10.992 6.077 9.607 1.00 0.00 C ATOM 773 CZ PHE A 58 -11.635 5.482 10.648 1.00 0.00 C ATOM 0 H PHE A 58 -7.655 3.378 8.801 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.568 1.299 8.908 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.018 3.691 7.075 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.470 2.721 6.928 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -11.072 2.253 9.816 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.850 5.756 7.789 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -12.182 3.654 11.563 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -10.963 7.154 9.536 1.00 0.00 H new ATOM 0 HZ PHE A 58 -12.116 6.086 11.403 1.00 0.00 H new ATOM 782 N LYS A 59 -7.510 1.251 6.370 1.00 0.00 N ATOM 783 CA LYS A 59 -7.049 0.450 5.249 1.00 0.00 C ATOM 784 C LYS A 59 -7.117 -1.032 5.625 1.00 0.00 C ATOM 785 O LYS A 59 -7.414 -1.877 4.780 1.00 0.00 O ATOM 786 CB LYS A 59 -5.660 0.908 4.800 1.00 0.00 C ATOM 787 CG LYS A 59 -4.898 -0.235 4.124 1.00 0.00 C ATOM 788 CD LYS A 59 -5.539 -0.605 2.785 1.00 0.00 C ATOM 789 CE LYS A 59 -4.711 -1.665 2.056 1.00 0.00 C ATOM 790 NZ LYS A 59 -3.376 -1.801 2.681 1.00 0.00 N ATOM 0 H LYS A 59 -6.929 2.062 6.582 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.700 0.590 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.755 1.745 4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.096 1.267 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.860 0.059 3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.886 -1.106 4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.549 -0.979 2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.627 0.285 2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.231 -2.623 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.602 -1.391 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.803 -2.475 2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.903 -0.875 2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.483 -2.149 3.655 1.00 0.00 H new ATOM 799 N HIS A 60 -6.837 -1.302 6.891 1.00 0.00 N ATOM 800 CA HIS A 60 -6.863 -2.668 7.388 1.00 0.00 C ATOM 801 C HIS A 60 -8.289 -3.215 7.310 1.00 0.00 C ATOM 802 O HIS A 60 -8.525 -4.262 6.710 1.00 0.00 O ATOM 803 CB HIS A 60 -6.274 -2.743 8.799 1.00 0.00 C ATOM 804 CG HIS A 60 -7.208 -3.341 9.823 1.00 0.00 C ATOM 805 ND1 HIS A 60 -7.484 -4.696 9.883 1.00 0.00 N ATOM 806 CD2 HIS A 60 -7.924 -2.756 10.824 1.00 0.00 C ATOM 807 CE1 HIS A 60 -8.331 -4.905 10.880 1.00 0.00 C ATOM 808 NE2 HIS A 60 -8.604 -3.702 11.462 1.00 0.00 N ATOM 0 H HIS A 60 -6.591 -0.599 7.588 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.235 -3.300 6.761 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -5.358 -3.334 8.769 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.995 -1.739 9.119 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.936 -1.702 11.059 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.735 -5.861 11.180 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.227 -3.553 12.256 1.00 0.00 H new ATOM 815 N THR A 61 -9.204 -2.481 7.928 1.00 0.00 N ATOM 816 CA THR A 61 -10.601 -2.881 7.937 1.00 0.00 C ATOM 817 C THR A 61 -11.149 -2.938 6.510 1.00 0.00 C ATOM 818 O THR A 61 -11.981 -3.787 6.194 1.00 0.00 O ATOM 819 CB THR A 61 -11.364 -1.911 8.843 1.00 0.00 C ATOM 820 OG1 THR A 61 -12.622 -2.548 9.051 1.00 0.00 O ATOM 821 CG2 THR A 61 -11.720 -0.604 8.131 1.00 0.00 C ATOM 0 H THR A 61 -9.005 -1.613 8.425 1.00 0.00 H new ATOM 0 HA THR A 61 -10.722 -3.887 8.338 1.00 0.00 H new ATOM 0 HB THR A 61 -10.765 -1.691 9.727 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.180 -1.988 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.260 0.049 8.817 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.807 -0.108 7.802 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.347 -0.820 7.266 1.00 0.00 H new ATOM 829 N ALA A 62 -10.659 -2.023 5.685 1.00 0.00 N ATOM 830 CA ALA A 62 -11.088 -1.959 4.299 1.00 0.00 C ATOM 831 C ALA A 62 -10.829 -3.308 3.626 1.00 0.00 C ATOM 832 O ALA A 62 -11.743 -3.913 3.066 1.00 0.00 O ATOM 833 CB ALA A 62 -10.369 -0.808 3.594 1.00 0.00 C ATOM 0 H ALA A 62 -9.969 -1.320 5.951 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.158 -1.761 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.691 -0.760 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.610 0.131 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.292 -0.973 3.633 1.00 0.00 H new ATOM 839 N ARG A 63 -9.579 -3.741 3.703 1.00 0.00 N ATOM 840 CA ARG A 63 -9.188 -5.008 3.108 1.00 0.00 C ATOM 841 C ARG A 63 -9.426 -6.153 4.094 1.00 0.00 C ATOM 842 O ARG A 63 -9.019 -7.287 3.843 1.00 0.00 O ATOM 843 CB ARG A 63 -7.713 -4.993 2.700 1.00 0.00 C ATOM 844 CG ARG A 63 -6.908 -6.007 3.515 1.00 0.00 C ATOM 845 CD ARG A 63 -5.409 -5.718 3.424 1.00 0.00 C ATOM 846 NE ARG A 63 -4.639 -6.866 3.953 1.00 0.00 N ATOM 847 CZ ARG A 63 -4.575 -7.195 5.261 1.00 0.00 C ATOM 848 NH1 ARG A 63 -5.236 -6.465 6.185 1.00 0.00 N ATOM 849 NH2 ARG A 63 -3.856 -8.242 5.623 1.00 0.00 N ATOM 0 H ARG A 63 -8.824 -3.237 4.168 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.798 -5.159 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.623 -5.222 1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.302 -3.994 2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.225 -5.975 4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.110 -7.014 3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.129 -5.528 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.169 -4.817 3.989 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.125 -7.444 3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.789 -5.658 5.897 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.182 -6.721 7.171 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.360 -8.788 4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.797 -8.504 6.607 1.00 0.00 H new ATOM 859 N HIS A 64 -10.083 -5.818 5.194 1.00 0.00 N ATOM 860 CA HIS A 64 -10.380 -6.804 6.219 1.00 0.00 C ATOM 861 C HIS A 64 -11.521 -7.707 5.747 1.00 0.00 C ATOM 862 O HIS A 64 -11.376 -8.927 5.705 1.00 0.00 O ATOM 863 CB HIS A 64 -10.675 -6.125 7.558 1.00 0.00 C ATOM 864 CG HIS A 64 -11.044 -7.083 8.665 1.00 0.00 C ATOM 865 ND1 HIS A 64 -10.746 -8.434 8.617 1.00 0.00 N ATOM 866 CD2 HIS A 64 -11.689 -6.873 9.848 1.00 0.00 C ATOM 867 CE1 HIS A 64 -11.196 -9.001 9.727 1.00 0.00 C ATOM 868 NE2 HIS A 64 -11.781 -8.032 10.489 1.00 0.00 N ATOM 0 H HIS A 64 -10.418 -4.877 5.398 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.508 -7.436 6.384 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -9.799 -5.553 7.864 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.489 -5.413 7.421 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -12.062 -5.924 10.204 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.114 -10.047 9.984 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -12.217 -8.174 11.400 1.00 0.00 H new ATOM 875 N ASN A 65 -12.632 -7.071 5.404 1.00 0.00 N ATOM 876 CA ASN A 65 -13.798 -7.802 4.937 1.00 0.00 C ATOM 877 C ASN A 65 -14.060 -7.452 3.470 1.00 0.00 C ATOM 878 O ASN A 65 -14.142 -8.339 2.622 1.00 0.00 O ATOM 879 CB ASN A 65 -15.042 -7.427 5.742 1.00 0.00 C ATOM 880 CG ASN A 65 -14.666 -6.968 7.152 1.00 0.00 C ATOM 881 OD1 ASN A 65 -14.621 -7.742 8.094 1.00 0.00 O ATOM 882 ND2 ASN A 65 -14.397 -5.668 7.245 1.00 0.00 N ATOM 0 H ASN A 65 -12.749 -6.058 5.440 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.599 -8.867 5.057 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.585 -6.632 5.230 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.713 -8.284 5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.134 -5.265 8.144 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.453 -5.075 6.417 1.00 0.00 H new ATOM 888 N VAL A 66 -14.186 -6.157 3.218 1.00 0.00 N ATOM 889 CA VAL A 66 -14.436 -5.679 1.869 1.00 0.00 C ATOM 890 C VAL A 66 -13.108 -5.302 1.210 1.00 0.00 C ATOM 891 O VAL A 66 -12.048 -5.752 1.642 1.00 0.00 O ATOM 892 CB VAL A 66 -15.436 -4.521 1.903 1.00 0.00 C ATOM 893 CG1 VAL A 66 -16.819 -5.003 2.347 1.00 0.00 C ATOM 894 CG2 VAL A 66 -14.934 -3.389 2.802 1.00 0.00 C ATOM 0 H VAL A 66 -14.120 -5.425 3.925 1.00 0.00 H new ATOM 0 HA VAL A 66 -14.887 -6.465 1.263 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.528 -4.128 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -17.510 -4.160 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.182 -5.758 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.751 -5.435 3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.663 -2.579 2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.798 -3.763 3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -13.982 -3.017 2.422 1.00 0.00 H new ATOM 904 N ASP A 67 -13.209 -4.481 0.176 1.00 0.00 N ATOM 905 CA ASP A 67 -12.029 -4.040 -0.548 1.00 0.00 C ATOM 906 C ASP A 67 -12.122 -2.533 -0.796 1.00 0.00 C ATOM 907 O ASP A 67 -13.141 -2.042 -1.281 1.00 0.00 O ATOM 908 CB ASP A 67 -11.921 -4.738 -1.905 1.00 0.00 C ATOM 909 CG ASP A 67 -11.017 -5.972 -1.926 1.00 0.00 C ATOM 910 OD1 ASP A 67 -11.374 -7.014 -2.496 1.00 0.00 O ATOM 911 OD2 ASP A 67 -9.888 -5.832 -1.319 1.00 0.00 O ATOM 0 H ASP A 67 -14.090 -4.109 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.154 -4.286 0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.920 -5.032 -2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.549 -4.021 -2.637 1.00 0.00 H new ATOM 916 N GLU A 68 -11.047 -1.841 -0.454 1.00 0.00 N ATOM 917 CA GLU A 68 -10.995 -0.400 -0.634 1.00 0.00 C ATOM 918 C GLU A 68 -9.577 0.037 -1.013 1.00 0.00 C ATOM 919 O GLU A 68 -8.600 -0.481 -0.474 1.00 0.00 O ATOM 920 CB GLU A 68 -11.475 0.328 0.623 1.00 0.00 C ATOM 921 CG GLU A 68 -12.948 0.722 0.500 1.00 0.00 C ATOM 922 CD GLU A 68 -13.095 2.225 0.253 1.00 0.00 C ATOM 923 OE1 GLU A 68 -13.174 3.005 1.213 1.00 0.00 O ATOM 924 OE2 GLU A 68 -13.125 2.574 -0.988 1.00 0.00 O ATOM 0 H GLU A 68 -10.204 -2.251 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.668 -0.131 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.338 -0.313 1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.869 1.219 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.409 0.169 -0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.479 0.446 1.411 1.00 0.00 H new ATOM 930 N LEU A 69 -9.512 0.985 -1.935 1.00 0.00 N ATOM 931 CA LEU A 69 -8.231 1.497 -2.393 1.00 0.00 C ATOM 932 C LEU A 69 -8.292 3.025 -2.458 1.00 0.00 C ATOM 933 O LEU A 69 -9.230 3.588 -3.021 1.00 0.00 O ATOM 934 CB LEU A 69 -7.833 0.840 -3.716 1.00 0.00 C ATOM 935 CG LEU A 69 -8.707 1.182 -4.924 1.00 0.00 C ATOM 936 CD1 LEU A 69 -8.092 0.640 -6.216 1.00 0.00 C ATOM 937 CD2 LEU A 69 -10.140 0.687 -4.721 1.00 0.00 C ATOM 0 H LEU A 69 -10.325 1.413 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.442 1.239 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.805 1.123 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.843 -0.241 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.751 2.267 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.733 0.897 -7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.106 1.081 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.999 -0.444 -6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.740 0.943 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.136 -0.395 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.566 1.160 -3.836 1.00 0.00 H new ATOM 948 N HIS A 70 -7.280 3.650 -1.875 1.00 0.00 N ATOM 949 CA HIS A 70 -7.207 5.101 -1.860 1.00 0.00 C ATOM 950 C HIS A 70 -5.767 5.545 -2.127 1.00 0.00 C ATOM 951 O HIS A 70 -4.823 4.937 -1.625 1.00 0.00 O ATOM 952 CB HIS A 70 -7.767 5.661 -0.550 1.00 0.00 C ATOM 953 CG HIS A 70 -7.184 6.996 -0.153 1.00 0.00 C ATOM 954 ND1 HIS A 70 -6.569 7.211 1.068 1.00 0.00 N ATOM 955 CD2 HIS A 70 -7.125 8.180 -0.828 1.00 0.00 C ATOM 956 CE1 HIS A 70 -6.165 8.472 1.116 1.00 0.00 C ATOM 957 NE2 HIS A 70 -6.511 9.071 -0.060 1.00 0.00 N ATOM 0 H HIS A 70 -6.504 3.179 -1.410 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.830 5.508 -2.656 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.848 5.762 -0.643 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.581 4.943 0.249 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.447 6.517 1.805 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.512 8.361 -1.820 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.652 8.943 1.941 1.00 0.00 H new ATOM 964 N ILE A 71 -5.644 6.603 -2.915 1.00 0.00 N ATOM 965 CA ILE A 71 -4.335 7.136 -3.254 1.00 0.00 C ATOM 966 C ILE A 71 -4.360 8.661 -3.121 1.00 0.00 C ATOM 967 O ILE A 71 -5.251 9.319 -3.655 1.00 0.00 O ATOM 968 CB ILE A 71 -3.899 6.646 -4.635 1.00 0.00 C ATOM 969 CG1 ILE A 71 -2.735 7.482 -5.171 1.00 0.00 C ATOM 970 CG2 ILE A 71 -5.081 6.620 -5.607 1.00 0.00 C ATOM 971 CD1 ILE A 71 -2.180 6.882 -6.465 1.00 0.00 C ATOM 0 H ILE A 71 -6.429 7.106 -3.329 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.581 6.767 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.541 5.621 -4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.070 8.503 -5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.945 7.535 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.743 6.268 -6.582 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.851 5.949 -5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.492 7.625 -5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.354 7.495 -6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.824 5.870 -6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.966 6.853 -7.219 1.00 0.00 H new ATOM 982 N ASP A 72 -3.370 9.176 -2.406 1.00 0.00 N ATOM 983 CA ASP A 72 -3.267 10.610 -2.197 1.00 0.00 C ATOM 984 C ASP A 72 -1.791 11.011 -2.168 1.00 0.00 C ATOM 985 O ASP A 72 -0.962 10.302 -1.601 1.00 0.00 O ATOM 986 CB ASP A 72 -3.895 11.018 -0.863 1.00 0.00 C ATOM 987 CG ASP A 72 -3.683 12.481 -0.470 1.00 0.00 C ATOM 988 OD1 ASP A 72 -2.771 12.811 0.302 1.00 0.00 O ATOM 989 OD2 ASP A 72 -4.516 13.314 -1.000 1.00 0.00 O ATOM 0 H ASP A 72 -2.633 8.626 -1.965 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.793 11.109 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.966 10.821 -0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.486 10.383 -0.077 1.00 0.00 H new ATOM 994 N GLY A 73 -1.508 12.148 -2.786 1.00 0.00 N ATOM 995 CA GLY A 73 -0.146 12.653 -2.837 1.00 0.00 C ATOM 996 C GLY A 73 -0.105 14.151 -2.528 1.00 0.00 C ATOM 997 O GLY A 73 -0.855 14.930 -3.112 1.00 0.00 O ATOM 0 H GLY A 73 -2.198 12.734 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.473 12.113 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.277 12.470 -3.825 1.00 0.00 H new ATOM 1001 N ASN A 74 0.782 14.509 -1.610 1.00 0.00 N ATOM 1002 CA ASN A 74 0.931 15.899 -1.215 1.00 0.00 C ATOM 1003 C ASN A 74 2.403 16.181 -0.907 1.00 0.00 C ATOM 1004 O ASN A 74 3.083 15.357 -0.297 1.00 0.00 O ATOM 1005 CB ASN A 74 0.117 16.205 0.044 1.00 0.00 C ATOM 1006 CG ASN A 74 -1.280 16.714 -0.317 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -1.581 17.022 -1.459 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -2.113 16.785 0.717 1.00 0.00 N ATOM 0 H ASN A 74 1.404 13.860 -1.129 1.00 0.00 H new ATOM 0 HA ASN A 74 0.574 16.523 -2.035 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.034 15.306 0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.636 16.952 0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.069 17.113 0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.796 16.511 1.647 1.00 0.00 H new ATOM 1014 N TYR A 75 2.852 17.350 -1.343 1.00 0.00 N ATOM 1015 CA TYR A 75 4.231 17.751 -1.121 1.00 0.00 C ATOM 1016 C TYR A 75 4.477 18.076 0.354 1.00 0.00 C ATOM 1017 O TYR A 75 5.603 18.378 0.747 1.00 0.00 O ATOM 1018 CB TYR A 75 4.439 19.019 -1.951 1.00 0.00 C ATOM 1019 CG TYR A 75 3.357 20.082 -1.748 1.00 0.00 C ATOM 1020 CD1 TYR A 75 3.398 20.905 -0.641 1.00 0.00 C ATOM 1021 CD2 TYR A 75 2.341 20.217 -2.671 1.00 0.00 C ATOM 1022 CE1 TYR A 75 2.380 21.904 -0.449 1.00 0.00 C ATOM 1023 CE2 TYR A 75 1.322 21.217 -2.479 1.00 0.00 C ATOM 1024 CZ TYR A 75 1.391 22.012 -1.378 1.00 0.00 C ATOM 1025 OH TYR A 75 0.430 22.956 -1.197 1.00 0.00 O ATOM 0 H TYR A 75 2.285 18.031 -1.848 1.00 0.00 H new ATOM 0 HA TYR A 75 4.914 16.949 -1.402 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.408 19.450 -1.700 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.474 18.748 -3.006 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.194 20.799 0.081 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.309 19.573 -3.538 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.400 22.554 0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.521 21.333 -3.194 1.00 0.00 H new ATOM 0 HH TYR A 75 -0.209 22.918 -1.939 1.00 0.00 H new ATOM 1034 N GLN A 76 3.405 18.004 1.130 1.00 0.00 N ATOM 1035 CA GLN A 76 3.490 18.286 2.552 1.00 0.00 C ATOM 1036 C GLN A 76 3.273 17.006 3.362 1.00 0.00 C ATOM 1037 O GLN A 76 3.403 17.011 4.584 1.00 0.00 O ATOM 1038 CB GLN A 76 2.487 19.368 2.958 1.00 0.00 C ATOM 1039 CG GLN A 76 2.965 20.120 4.202 1.00 0.00 C ATOM 1040 CD GLN A 76 2.450 21.561 4.202 1.00 0.00 C ATOM 1041 OE1 GLN A 76 1.429 21.883 4.787 1.00 0.00 O ATOM 1042 NE2 GLN A 76 3.213 22.408 3.517 1.00 0.00 N ATOM 0 H GLN A 76 2.473 17.754 0.800 1.00 0.00 H new ATOM 0 HA GLN A 76 4.489 18.664 2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.350 20.069 2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.516 18.914 3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.618 19.606 5.098 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.054 20.119 4.236 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.056 22.072 3.050 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.956 23.393 3.458 1.00 0.00 H new ATOM 1049 N LEU A 77 2.946 15.940 2.646 1.00 0.00 N ATOM 1050 CA LEU A 77 2.709 14.656 3.282 1.00 0.00 C ATOM 1051 C LEU A 77 3.890 14.318 4.195 1.00 0.00 C ATOM 1052 O LEU A 77 3.734 14.237 5.412 1.00 0.00 O ATOM 1053 CB LEU A 77 2.419 13.583 2.231 1.00 0.00 C ATOM 1054 CG LEU A 77 1.308 12.589 2.577 1.00 0.00 C ATOM 1055 CD1 LEU A 77 -0.058 13.279 2.601 1.00 0.00 C ATOM 1056 CD2 LEU A 77 1.327 11.392 1.625 1.00 0.00 C ATOM 0 H LEU A 77 2.840 15.940 1.632 1.00 0.00 H new ATOM 0 HA LEU A 77 1.821 14.702 3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.157 14.079 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.336 13.023 2.049 1.00 0.00 H new ATOM 0 HG LEU A 77 1.494 12.206 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.829 12.550 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.052 14.071 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.266 13.708 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.528 10.701 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.180 11.738 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.287 10.882 1.701 1.00 0.00 H new ATOM 1067 N GLY A 78 5.044 14.132 3.572 1.00 0.00 N ATOM 1068 CA GLY A 78 6.250 13.806 4.313 1.00 0.00 C ATOM 1069 C GLY A 78 7.270 13.100 3.417 1.00 0.00 C ATOM 1070 O GLY A 78 8.020 12.242 3.879 1.00 0.00 O ATOM 0 H GLY A 78 5.169 14.201 2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.688 14.717 4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.999 13.166 5.159 1.00 0.00 H new ATOM 1074 N ARG A 79 7.266 13.487 2.149 1.00 0.00 N ATOM 1075 CA ARG A 79 8.180 12.903 1.184 1.00 0.00 C ATOM 1076 C ARG A 79 8.162 11.376 1.292 1.00 0.00 C ATOM 1077 O ARG A 79 9.210 10.748 1.429 1.00 0.00 O ATOM 1078 CB ARG A 79 9.609 13.405 1.406 1.00 0.00 C ATOM 1079 CG ARG A 79 9.620 14.901 1.731 1.00 0.00 C ATOM 1080 CD ARG A 79 10.525 15.666 0.763 1.00 0.00 C ATOM 1081 NE ARG A 79 9.899 15.723 -0.577 1.00 0.00 N ATOM 1082 CZ ARG A 79 10.455 16.332 -1.646 1.00 0.00 C ATOM 1083 NH1 ARG A 79 11.654 16.942 -1.540 1.00 0.00 N ATOM 1084 NH2 ARG A 79 9.807 16.323 -2.796 1.00 0.00 N ATOM 0 H ARG A 79 6.643 14.199 1.768 1.00 0.00 H new ATOM 0 HA ARG A 79 7.850 13.205 0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.071 12.849 2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.207 13.219 0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.606 15.296 1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.965 15.052 2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.699 16.676 1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.498 15.178 0.699 1.00 0.00 H new ATOM 0 HE ARG A 79 8.991 15.274 -0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.147 16.945 -0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.067 17.400 -2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.901 15.861 -2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.213 16.778 -3.614 1.00 0.00 H new ATOM 1094 N ASN A 80 6.959 10.825 1.227 1.00 0.00 N ATOM 1095 CA ASN A 80 6.790 9.385 1.315 1.00 0.00 C ATOM 1096 C ASN A 80 6.188 8.865 0.009 1.00 0.00 C ATOM 1097 O ASN A 80 5.072 9.235 -0.356 1.00 0.00 O ATOM 1098 CB ASN A 80 5.840 9.010 2.455 1.00 0.00 C ATOM 1099 CG ASN A 80 6.525 8.076 3.455 1.00 0.00 C ATOM 1100 OD1 ASN A 80 6.919 8.468 4.541 1.00 0.00 O ATOM 1101 ND2 ASN A 80 6.644 6.821 3.028 1.00 0.00 N ATOM 0 H ASN A 80 6.092 11.350 1.114 1.00 0.00 H new ATOM 0 HA ASN A 80 7.769 8.942 1.500 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.505 9.913 2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.952 8.525 2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.087 6.120 3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.292 6.560 2.107 1.00 0.00 H new ATOM 1107 N VAL A 81 6.953 8.016 -0.662 1.00 0.00 N ATOM 1108 CA VAL A 81 6.508 7.441 -1.921 1.00 0.00 C ATOM 1109 C VAL A 81 6.516 5.915 -1.811 1.00 0.00 C ATOM 1110 O VAL A 81 7.580 5.300 -1.745 1.00 0.00 O ATOM 1111 CB VAL A 81 7.375 7.962 -3.068 1.00 0.00 C ATOM 1112 CG1 VAL A 81 8.857 7.687 -2.805 1.00 0.00 C ATOM 1113 CG2 VAL A 81 6.934 7.363 -4.405 1.00 0.00 C ATOM 0 H VAL A 81 7.878 7.712 -0.358 1.00 0.00 H new ATOM 0 HA VAL A 81 5.485 7.745 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 81 7.241 9.042 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.451 8.068 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.161 8.184 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.016 6.613 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.567 7.750 -5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.024 6.277 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.897 7.634 -4.601 1.00 0.00 H new ATOM 1123 N LEU A 82 5.319 5.348 -1.793 1.00 0.00 N ATOM 1124 CA LEU A 82 5.174 3.906 -1.693 1.00 0.00 C ATOM 1125 C LEU A 82 4.323 3.401 -2.859 1.00 0.00 C ATOM 1126 O LEU A 82 3.170 3.802 -3.010 1.00 0.00 O ATOM 1127 CB LEU A 82 4.627 3.517 -0.318 1.00 0.00 C ATOM 1128 CG LEU A 82 5.313 4.168 0.885 1.00 0.00 C ATOM 1129 CD1 LEU A 82 4.613 3.780 2.190 1.00 0.00 C ATOM 1130 CD2 LEU A 82 6.805 3.834 0.913 1.00 0.00 C ATOM 0 H LEU A 82 4.440 5.862 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 82 6.146 3.419 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.567 3.768 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.702 2.435 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 82 5.228 5.250 0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.120 4.255 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.575 4.110 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.646 2.697 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.268 4.309 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.935 2.754 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.277 4.201 0.002 1.00 0.00 H new ATOM 1141 N LEU A 83 4.924 2.528 -3.654 1.00 0.00 N ATOM 1142 CA LEU A 83 4.236 1.962 -4.802 1.00 0.00 C ATOM 1143 C LEU A 83 4.071 0.455 -4.601 1.00 0.00 C ATOM 1144 O LEU A 83 5.047 -0.291 -4.648 1.00 0.00 O ATOM 1145 CB LEU A 83 4.960 2.335 -6.097 1.00 0.00 C ATOM 1146 CG LEU A 83 4.652 1.460 -7.314 1.00 0.00 C ATOM 1147 CD1 LEU A 83 5.438 0.149 -7.260 1.00 0.00 C ATOM 1148 CD2 LEU A 83 3.147 1.220 -7.449 1.00 0.00 C ATOM 0 H LEU A 83 5.881 2.198 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 83 3.234 2.382 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.712 3.367 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.034 2.301 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 83 4.975 1.993 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.201 -0.454 -8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.506 0.365 -7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.168 -0.400 -6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.955 0.596 -8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.777 0.718 -6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.635 2.175 -7.567 1.00 0.00 H new ATOM 1159 N LYS A 84 2.828 0.052 -4.383 1.00 0.00 N ATOM 1160 CA LYS A 84 2.522 -1.353 -4.175 1.00 0.00 C ATOM 1161 C LYS A 84 1.453 -1.792 -5.179 1.00 0.00 C ATOM 1162 O LYS A 84 0.349 -1.250 -5.192 1.00 0.00 O ATOM 1163 CB LYS A 84 2.136 -1.607 -2.716 1.00 0.00 C ATOM 1164 CG LYS A 84 2.454 -3.047 -2.308 1.00 0.00 C ATOM 1165 CD LYS A 84 1.252 -3.964 -2.549 1.00 0.00 C ATOM 1166 CE LYS A 84 0.130 -3.667 -1.553 1.00 0.00 C ATOM 1167 NZ LYS A 84 0.638 -3.731 -0.164 1.00 0.00 N ATOM 0 H LYS A 84 2.021 0.674 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 84 3.404 -1.966 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.673 -0.914 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.072 -1.413 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.311 -3.409 -2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.733 -3.077 -1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.885 -3.829 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.560 -5.006 -2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.286 -2.679 -1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.680 -4.385 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.096 -4.130 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.484 -4.334 -0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.883 -2.774 0.161 1.00 0.00 H new ATOM 1176 N ASN A 85 1.820 -2.770 -5.995 1.00 0.00 N ATOM 1177 CA ASN A 85 0.906 -3.287 -6.999 1.00 0.00 C ATOM 1178 C ASN A 85 0.572 -4.745 -6.676 1.00 0.00 C ATOM 1179 O ASN A 85 1.443 -5.612 -6.725 1.00 0.00 O ATOM 1180 CB ASN A 85 1.539 -3.246 -8.391 1.00 0.00 C ATOM 1181 CG ASN A 85 2.233 -1.905 -8.638 1.00 0.00 C ATOM 1182 OD1 ASN A 85 2.959 -1.389 -7.806 1.00 0.00 O ATOM 1183 ND2 ASN A 85 1.970 -1.371 -9.828 1.00 0.00 N ATOM 0 H ASN A 85 2.737 -3.217 -5.981 1.00 0.00 H new ATOM 0 HA ASN A 85 0.009 -2.667 -6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.261 -4.057 -8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.772 -3.408 -9.148 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.386 -0.477 -10.089 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.352 -1.856 -10.479 1.00 0.00 H new ATOM 1189 N GLY A 86 -0.692 -4.970 -6.350 1.00 0.00 N ATOM 1190 CA GLY A 86 -1.152 -6.308 -6.017 1.00 0.00 C ATOM 1191 C GLY A 86 -2.176 -6.805 -7.041 1.00 0.00 C ATOM 1192 O GLY A 86 -3.262 -6.242 -7.162 1.00 0.00 O ATOM 0 H GLY A 86 -1.412 -4.249 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.303 -6.991 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.598 -6.306 -5.022 1.00 0.00 H new ATOM 1196 N GLU A 87 -1.791 -7.856 -7.751 1.00 0.00 N ATOM 1197 CA GLU A 87 -2.661 -8.436 -8.760 1.00 0.00 C ATOM 1198 C GLU A 87 -2.871 -9.926 -8.486 1.00 0.00 C ATOM 1199 O GLU A 87 -1.916 -10.701 -8.480 1.00 0.00 O ATOM 1200 CB GLU A 87 -2.099 -8.210 -10.165 1.00 0.00 C ATOM 1201 CG GLU A 87 -0.589 -8.459 -10.197 1.00 0.00 C ATOM 1202 CD GLU A 87 0.186 -7.142 -10.124 1.00 0.00 C ATOM 1203 OE1 GLU A 87 0.850 -6.869 -9.114 1.00 0.00 O ATOM 1204 OE2 GLU A 87 0.080 -6.388 -11.166 1.00 0.00 O ATOM 0 H GLU A 87 -0.889 -8.320 -7.647 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.629 -7.937 -8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.596 -8.875 -10.871 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.310 -7.190 -10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.305 -9.099 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.324 -8.991 -11.111 1.00 0.00 H new ATOM 1210 N ASP A 88 -4.128 -10.284 -8.268 1.00 0.00 N ATOM 1211 CA ASP A 88 -4.476 -11.668 -7.995 1.00 0.00 C ATOM 1212 C ASP A 88 -5.355 -12.202 -9.128 1.00 0.00 C ATOM 1213 O ASP A 88 -6.243 -11.502 -9.611 1.00 0.00 O ATOM 1214 CB ASP A 88 -5.262 -11.790 -6.688 1.00 0.00 C ATOM 1215 CG ASP A 88 -6.767 -11.539 -6.812 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -7.207 -10.669 -7.579 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -7.508 -12.290 -6.071 1.00 0.00 O ATOM 0 H ASP A 88 -4.918 -9.639 -8.275 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.551 -12.239 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.108 -12.789 -6.281 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.850 -11.085 -5.966 1.00 0.00 H new ATOM 1222 N ARG A 89 -5.076 -13.437 -9.518 1.00 0.00 N ATOM 1223 CA ARG A 89 -5.831 -14.073 -10.585 1.00 0.00 C ATOM 1224 C ARG A 89 -6.277 -15.472 -10.158 1.00 0.00 C ATOM 1225 O ARG A 89 -5.461 -16.281 -9.717 1.00 0.00 O ATOM 1226 CB ARG A 89 -4.996 -14.178 -11.862 1.00 0.00 C ATOM 1227 CG ARG A 89 -3.716 -14.981 -11.616 1.00 0.00 C ATOM 1228 CD ARG A 89 -3.783 -16.344 -12.307 1.00 0.00 C ATOM 1229 NE ARG A 89 -3.204 -16.251 -13.666 1.00 0.00 N ATOM 1230 CZ ARG A 89 -1.890 -16.078 -13.918 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -1.005 -15.976 -12.904 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -1.483 -16.009 -15.172 1.00 0.00 N ATOM 0 H ARG A 89 -4.338 -14.014 -9.115 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.706 -13.455 -10.787 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.583 -14.655 -12.647 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.741 -13.180 -12.217 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.856 -14.423 -11.986 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.569 -15.119 -10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.239 -17.085 -11.721 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.818 -16.681 -12.366 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.838 -16.322 -14.462 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.328 -16.030 -11.938 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.013 -15.845 -13.104 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.158 -16.086 -15.932 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.493 -15.878 -15.380 1.00 0.00 H new ATOM 1242 N LEU A 90 -7.571 -15.717 -10.304 1.00 0.00 N ATOM 1243 CA LEU A 90 -8.135 -17.005 -9.940 1.00 0.00 C ATOM 1244 C LEU A 90 -9.079 -17.476 -11.048 1.00 0.00 C ATOM 1245 O LEU A 90 -9.305 -16.759 -12.022 1.00 0.00 O ATOM 1246 CB LEU A 90 -8.794 -16.931 -8.560 1.00 0.00 C ATOM 1247 CG LEU A 90 -8.564 -15.638 -7.776 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -9.531 -14.542 -8.230 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -8.647 -15.888 -6.269 1.00 0.00 C ATOM 0 H LEU A 90 -8.245 -15.045 -10.670 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.348 -17.754 -9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.868 -17.071 -8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.431 -17.766 -7.960 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.555 -15.285 -7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.346 -13.633 -7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.379 -14.339 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -10.557 -14.872 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.480 -14.952 -5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.634 -16.277 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.887 -16.613 -5.978 1.00 0.00 H new ATOM 1260 N ARG A 91 -9.607 -18.677 -10.861 1.00 0.00 N ATOM 1261 CA ARG A 91 -10.522 -19.251 -11.833 1.00 0.00 C ATOM 1262 C ARG A 91 -11.772 -18.379 -11.965 1.00 0.00 C ATOM 1263 O ARG A 91 -12.364 -18.294 -13.041 1.00 0.00 O ATOM 1264 CB ARG A 91 -10.938 -20.667 -11.428 1.00 0.00 C ATOM 1265 CG ARG A 91 -10.810 -21.634 -12.608 1.00 0.00 C ATOM 1266 CD ARG A 91 -10.981 -23.084 -12.149 1.00 0.00 C ATOM 1267 NE ARG A 91 -12.184 -23.675 -12.776 1.00 0.00 N ATOM 1268 CZ ARG A 91 -12.175 -24.343 -13.949 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -11.024 -24.509 -14.633 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -13.310 -24.830 -14.416 1.00 0.00 N ATOM 0 H ARG A 91 -9.419 -19.268 -10.051 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.003 -19.296 -12.790 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.315 -21.011 -10.602 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.967 -20.659 -11.069 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.561 -21.396 -13.361 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.835 -21.511 -13.080 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.099 -23.665 -12.417 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.071 -23.122 -11.063 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.076 -23.571 -12.292 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.152 -24.129 -14.264 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.025 -25.015 -15.519 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.175 -24.699 -13.892 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.322 -25.337 -15.301 1.00 0.00 H new ATOM 1280 N PHE A 92 -12.137 -17.751 -10.857 1.00 0.00 N ATOM 1281 CA PHE A 92 -13.306 -16.889 -10.836 1.00 0.00 C ATOM 1282 C PHE A 92 -13.128 -15.700 -11.784 1.00 0.00 C ATOM 1283 O PHE A 92 -14.094 -15.226 -12.379 1.00 0.00 O ATOM 1284 CB PHE A 92 -13.451 -16.366 -9.405 1.00 0.00 C ATOM 1285 CG PHE A 92 -14.336 -17.237 -8.511 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -15.570 -17.616 -8.938 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -13.888 -17.633 -7.289 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -16.391 -18.425 -8.109 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -14.709 -18.442 -6.460 1.00 0.00 C ATOM 1290 CZ PHE A 92 -15.944 -18.820 -6.887 1.00 0.00 C ATOM 0 H PHE A 92 -11.643 -17.822 -9.967 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.185 -17.448 -11.157 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.461 -16.289 -8.955 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.865 -15.358 -9.438 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.926 -17.302 -9.908 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.908 -17.332 -6.950 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.371 -18.727 -8.449 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -14.353 -18.757 -5.490 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.569 -19.434 -6.256 1.00 0.00 H new ATOM 1299 N TYR A 93 -11.885 -15.253 -11.894 1.00 0.00 N ATOM 1300 CA TYR A 93 -11.568 -14.131 -12.760 1.00 0.00 C ATOM 1301 C TYR A 93 -11.049 -14.612 -14.116 1.00 0.00 C ATOM 1302 O TYR A 93 -10.100 -15.392 -14.180 1.00 0.00 O ATOM 1303 CB TYR A 93 -10.458 -13.352 -12.051 1.00 0.00 C ATOM 1304 CG TYR A 93 -10.659 -11.836 -12.058 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -11.122 -11.206 -13.196 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -10.376 -11.097 -10.928 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -11.311 -9.779 -13.203 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -10.566 -9.669 -10.935 1.00 0.00 C ATOM 1309 CZ TYR A 93 -11.024 -9.080 -12.072 1.00 0.00 C ATOM 1310 OH TYR A 93 -11.202 -7.733 -12.080 1.00 0.00 O ATOM 0 H TYR A 93 -11.086 -15.648 -11.398 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.456 -13.525 -12.941 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.391 -13.694 -11.018 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.505 -13.584 -12.526 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.342 -11.784 -14.081 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.012 -11.589 -10.038 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.673 -9.275 -14.087 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.349 -9.079 -10.057 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.958 -7.366 -11.205 1.00 0.00 H new ATOM 1319 N VAL A 94 -11.697 -14.129 -15.166 1.00 0.00 N ATOM 1320 CA VAL A 94 -11.313 -14.501 -16.518 1.00 0.00 C ATOM 1321 C VAL A 94 -10.753 -13.274 -17.240 1.00 0.00 C ATOM 1322 O VAL A 94 -9.802 -13.384 -18.013 1.00 0.00 O ATOM 1323 CB VAL A 94 -12.502 -15.131 -17.245 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -12.957 -14.256 -18.414 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -12.168 -16.548 -17.718 1.00 0.00 C ATOM 0 H VAL A 94 -12.485 -13.484 -15.108 1.00 0.00 H new ATOM 0 HA VAL A 94 -10.525 -15.254 -16.498 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.328 -15.200 -16.537 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.803 -14.727 -18.913 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.255 -13.276 -18.041 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.137 -14.140 -19.122 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -13.030 -16.973 -18.232 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.320 -16.513 -18.401 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.916 -17.169 -16.858 1.00 0.00 H new ATOM 1335 N LYS A 95 -11.366 -12.132 -16.963 1.00 0.00 N ATOM 1336 CA LYS A 95 -10.940 -10.886 -17.577 1.00 0.00 C ATOM 1337 C LYS A 95 -9.481 -10.614 -17.209 1.00 0.00 C ATOM 1338 O LYS A 95 -8.750 -9.988 -17.975 1.00 0.00 O ATOM 1339 CB LYS A 95 -11.893 -9.750 -17.198 1.00 0.00 C ATOM 1340 CG LYS A 95 -11.453 -8.431 -17.836 1.00 0.00 C ATOM 1341 CD LYS A 95 -11.282 -7.340 -16.776 1.00 0.00 C ATOM 1342 CE LYS A 95 -10.324 -6.250 -17.262 1.00 0.00 C ATOM 1343 NZ LYS A 95 -9.070 -6.852 -17.767 1.00 0.00 N ATOM 0 H LYS A 95 -12.154 -12.044 -16.322 1.00 0.00 H new ATOM 0 HA LYS A 95 -10.986 -10.961 -18.663 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -12.904 -9.995 -17.522 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -11.923 -9.642 -16.114 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.513 -8.576 -18.369 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.192 -8.115 -18.573 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.251 -6.900 -16.542 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.901 -7.780 -15.854 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.798 -5.666 -18.051 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.102 -5.562 -16.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.264 -6.253 -17.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.950 -7.800 -17.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.113 -6.926 -18.803 1.00 0.00 H new ATOM 1352 N PHE A 96 -9.099 -11.097 -16.035 1.00 0.00 N ATOM 1353 CA PHE A 96 -7.740 -10.913 -15.556 1.00 0.00 C ATOM 1354 C PHE A 96 -7.402 -9.427 -15.423 1.00 0.00 C ATOM 1355 O PHE A 96 -6.425 -8.955 -16.003 1.00 0.00 O ATOM 1356 CB PHE A 96 -6.811 -11.545 -16.594 1.00 0.00 C ATOM 1357 CG PHE A 96 -7.172 -12.987 -16.958 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -7.488 -13.876 -15.978 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -7.177 -13.379 -18.260 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -7.824 -15.214 -16.316 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -7.513 -14.716 -18.597 1.00 0.00 C ATOM 1362 CZ PHE A 96 -7.829 -15.606 -17.618 1.00 0.00 C ATOM 0 H PHE A 96 -9.708 -11.616 -15.402 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.626 -11.373 -14.574 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.828 -10.938 -17.499 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.790 -11.522 -16.214 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -7.483 -13.565 -14.944 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -6.925 -12.673 -19.038 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -8.076 -15.920 -15.539 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.518 -15.027 -19.631 1.00 0.00 H new ATOM 0 HZ PHE A 96 -8.084 -16.624 -17.875 1.00 0.00 H new ATOM 1371 N GLY A 97 -8.229 -8.731 -14.657 1.00 0.00 N ATOM 1372 CA GLY A 97 -8.030 -7.308 -14.440 1.00 0.00 C ATOM 1373 C GLY A 97 -6.671 -7.037 -13.791 1.00 0.00 C ATOM 1374 O GLY A 97 -6.461 -7.364 -12.624 1.00 0.00 O ATOM 0 H GLY A 97 -9.039 -9.126 -14.179 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -8.095 -6.779 -15.391 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.825 -6.919 -13.804 1.00 0.00 H new ATOM 1378 N PRO A 98 -5.761 -6.427 -14.596 1.00 0.00 N ATOM 1379 CA PRO A 98 -4.428 -6.108 -14.111 1.00 0.00 C ATOM 1380 C PRO A 98 -4.459 -4.900 -13.173 1.00 0.00 C ATOM 1381 O PRO A 98 -4.935 -3.829 -13.550 1.00 0.00 O ATOM 1382 CB PRO A 98 -3.601 -5.866 -15.364 1.00 0.00 C ATOM 1383 CG PRO A 98 -4.601 -5.601 -16.478 1.00 0.00 C ATOM 1384 CD PRO A 98 -5.974 -6.026 -15.984 1.00 0.00 C ATOM 0 HA PRO A 98 -3.996 -6.910 -13.513 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.930 -5.017 -15.231 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -2.979 -6.731 -15.595 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -4.602 -4.545 -16.746 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -4.329 -6.157 -17.375 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -6.691 -5.208 -16.054 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -6.371 -6.849 -16.578 1.00 0.00 H new ATOM 1389 N GLY A 99 -3.949 -5.112 -11.970 1.00 0.00 N ATOM 1390 CA GLY A 99 -3.912 -4.053 -10.975 1.00 0.00 C ATOM 1391 C GLY A 99 -2.567 -3.324 -11.000 1.00 0.00 C ATOM 1392 O GLY A 99 -1.603 -3.771 -10.380 1.00 0.00 O ATOM 0 H GLY A 99 -3.558 -6.002 -11.661 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.718 -3.344 -11.164 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.083 -4.474 -9.984 1.00 0.00 H new ATOM 1396 N ALA A 100 -2.546 -2.214 -11.722 1.00 0.00 N ATOM 1397 CA ALA A 100 -1.336 -1.417 -11.835 1.00 0.00 C ATOM 1398 C ALA A 100 -1.580 -0.036 -11.225 1.00 0.00 C ATOM 1399 O ALA A 100 -2.714 0.439 -11.189 1.00 0.00 O ATOM 1400 CB ALA A 100 -0.912 -1.339 -13.304 1.00 0.00 C ATOM 0 H ALA A 100 -3.348 -1.847 -12.235 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.518 -1.881 -11.283 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.004 -0.741 -13.390 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.722 -2.344 -13.682 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.707 -0.876 -13.888 1.00 0.00 H new ATOM 1406 N VAL A 101 -0.498 0.569 -10.759 1.00 0.00 N ATOM 1407 CA VAL A 101 -0.580 1.887 -10.152 1.00 0.00 C ATOM 1408 C VAL A 101 -1.430 2.800 -11.037 1.00 0.00 C ATOM 1409 O VAL A 101 -2.195 3.622 -10.534 1.00 0.00 O ATOM 1410 CB VAL A 101 0.826 2.437 -9.901 1.00 0.00 C ATOM 1411 CG1 VAL A 101 1.699 2.297 -11.150 1.00 0.00 C ATOM 1412 CG2 VAL A 101 0.770 3.892 -9.432 1.00 0.00 C ATOM 0 H VAL A 101 0.441 0.171 -10.789 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.070 1.829 -9.180 1.00 0.00 H new ATOM 0 HB VAL A 101 1.280 1.846 -9.106 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.693 2.695 -10.946 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.778 1.245 -11.422 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.248 2.852 -11.973 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.782 4.258 -9.261 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.288 4.502 -10.196 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.200 3.954 -8.505 1.00 0.00 H new ATOM 1422 N ILE A 102 -1.270 2.624 -12.341 1.00 0.00 N ATOM 1423 CA ILE A 102 -2.013 3.422 -13.300 1.00 0.00 C ATOM 1424 C ILE A 102 -3.505 3.104 -13.175 1.00 0.00 C ATOM 1425 O ILE A 102 -4.341 4.004 -13.219 1.00 0.00 O ATOM 1426 CB ILE A 102 -1.457 3.217 -14.712 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -1.685 4.459 -15.575 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -2.043 1.958 -15.354 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -0.799 4.428 -16.823 1.00 0.00 C ATOM 0 H ILE A 102 -0.636 1.940 -12.755 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.894 4.484 -13.086 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.380 3.069 -14.638 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.733 4.515 -15.870 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.469 5.355 -14.993 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.632 1.836 -16.356 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.788 1.088 -14.748 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -3.127 2.052 -15.416 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.980 5.322 -17.420 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.249 4.397 -16.525 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.034 3.543 -17.414 1.00 0.00 H new ATOM 1440 N LYS A 103 -3.793 1.819 -13.020 1.00 0.00 N ATOM 1441 CA LYS A 103 -5.168 1.372 -12.888 1.00 0.00 C ATOM 1442 C LYS A 103 -5.760 1.931 -11.592 1.00 0.00 C ATOM 1443 O LYS A 103 -6.933 2.299 -11.550 1.00 0.00 O ATOM 1444 CB LYS A 103 -5.248 -0.153 -12.992 1.00 0.00 C ATOM 1445 CG LYS A 103 -4.545 -0.654 -14.255 1.00 0.00 C ATOM 1446 CD LYS A 103 -5.487 -0.613 -15.459 1.00 0.00 C ATOM 1447 CE LYS A 103 -4.921 -1.426 -16.626 1.00 0.00 C ATOM 1448 NZ LYS A 103 -5.647 -1.113 -17.877 1.00 0.00 N ATOM 0 H LYS A 103 -3.097 1.074 -12.983 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.774 1.757 -13.708 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.790 -0.606 -12.113 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.292 -0.466 -13.004 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.667 -0.040 -14.455 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.192 -1.674 -14.099 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.463 -1.008 -15.176 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.639 0.420 -15.771 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.861 -1.206 -16.749 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.002 -2.491 -16.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.250 -1.673 -18.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.654 -1.345 -17.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.548 -0.100 -18.092 1.00 0.00 H new ATOM 1457 N GLU A 104 -4.921 1.978 -10.568 1.00 0.00 N ATOM 1458 CA GLU A 104 -5.346 2.487 -9.275 1.00 0.00 C ATOM 1459 C GLU A 104 -6.141 3.783 -9.450 1.00 0.00 C ATOM 1460 O GLU A 104 -7.086 4.039 -8.706 1.00 0.00 O ATOM 1461 CB GLU A 104 -4.147 2.700 -8.349 1.00 0.00 C ATOM 1462 CG GLU A 104 -3.392 1.390 -8.117 1.00 0.00 C ATOM 1463 CD GLU A 104 -4.334 0.298 -7.603 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -4.926 0.448 -6.524 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -4.442 -0.734 -8.369 1.00 0.00 O ATOM 0 H GLU A 104 -3.949 1.672 -10.607 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.995 1.745 -8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.474 3.439 -8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.487 3.101 -7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.926 1.065 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.589 1.551 -7.397 1.00 0.00 H new ATOM 1471 N PHE A 105 -5.730 4.563 -10.438 1.00 0.00 N ATOM 1472 CA PHE A 105 -6.392 5.825 -10.720 1.00 0.00 C ATOM 1473 C PHE A 105 -7.913 5.659 -10.714 1.00 0.00 C ATOM 1474 O PHE A 105 -8.639 6.562 -10.298 1.00 0.00 O ATOM 1475 CB PHE A 105 -5.945 6.263 -12.116 1.00 0.00 C ATOM 1476 CG PHE A 105 -6.910 5.863 -13.233 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -7.057 4.553 -13.568 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -7.622 6.816 -13.892 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -7.953 4.181 -14.605 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -8.518 6.444 -14.928 1.00 0.00 C ATOM 1481 CZ PHE A 105 -8.664 5.134 -15.264 1.00 0.00 C ATOM 0 H PHE A 105 -4.946 4.346 -11.054 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.130 6.560 -9.959 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.825 7.346 -12.124 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.966 5.832 -12.324 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.492 3.795 -13.045 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -7.506 7.856 -13.627 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.070 3.141 -14.870 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -9.084 7.201 -15.450 1.00 0.00 H new ATOM 0 HZ PHE A 105 -9.344 4.851 -16.054 1.00 0.00 H new ATOM 1490 N LYS A 106 -8.352 4.499 -11.180 1.00 0.00 N ATOM 1491 CA LYS A 106 -9.774 4.204 -11.233 1.00 0.00 C ATOM 1492 C LYS A 106 -10.419 4.579 -9.898 1.00 0.00 C ATOM 1493 O LYS A 106 -11.612 4.872 -9.841 1.00 0.00 O ATOM 1494 CB LYS A 106 -10.003 2.746 -11.639 1.00 0.00 C ATOM 1495 CG LYS A 106 -10.749 2.660 -12.972 1.00 0.00 C ATOM 1496 CD LYS A 106 -10.765 1.223 -13.499 1.00 0.00 C ATOM 1497 CE LYS A 106 -11.507 0.294 -12.536 1.00 0.00 C ATOM 1498 NZ LYS A 106 -12.740 -0.228 -13.166 1.00 0.00 N ATOM 0 H LYS A 106 -7.748 3.752 -11.524 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.260 4.806 -12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.045 2.232 -11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.574 2.234 -10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.771 3.016 -12.844 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.273 3.314 -13.702 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.244 1.196 -14.478 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.743 0.870 -13.635 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.859 -0.534 -12.249 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.758 0.833 -11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.231 -0.857 -12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.364 0.565 -13.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.493 -0.760 -14.025 1.00 0.00 H new ATOM 1507 N ILE A 107 -9.602 4.556 -8.855 1.00 0.00 N ATOM 1508 CA ILE A 107 -10.078 4.891 -7.524 1.00 0.00 C ATOM 1509 C ILE A 107 -11.062 6.058 -7.617 1.00 0.00 C ATOM 1510 O ILE A 107 -12.050 6.101 -6.885 1.00 0.00 O ATOM 1511 CB ILE A 107 -8.899 5.155 -6.584 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -9.356 5.169 -5.124 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -8.169 6.442 -6.969 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -10.086 6.471 -4.790 1.00 0.00 C ATOM 0 H ILE A 107 -8.613 4.310 -8.905 1.00 0.00 H new ATOM 0 HA ILE A 107 -10.620 4.050 -7.091 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.186 4.337 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.014 4.321 -4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.493 5.053 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.336 6.606 -6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.791 6.355 -7.988 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -8.859 7.284 -6.909 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -10.400 6.455 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.417 7.316 -4.954 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.962 6.572 -5.431 1.00 0.00 H new ATOM 1525 N THR A 108 -10.759 6.976 -8.523 1.00 0.00 N ATOM 1526 CA THR A 108 -11.606 8.140 -8.722 1.00 0.00 C ATOM 1527 C THR A 108 -11.732 8.460 -10.213 1.00 0.00 C ATOM 1528 O THR A 108 -12.821 8.382 -10.779 1.00 0.00 O ATOM 1529 CB THR A 108 -11.026 9.292 -7.900 1.00 0.00 C ATOM 1530 OG1 THR A 108 -9.615 9.137 -8.032 1.00 0.00 O ATOM 1531 CG2 THR A 108 -11.280 9.127 -6.400 1.00 0.00 C ATOM 0 H THR A 108 -9.938 6.937 -9.128 1.00 0.00 H new ATOM 0 HA THR A 108 -12.622 7.954 -8.375 1.00 0.00 H new ATOM 0 HB THR A 108 -11.458 10.233 -8.240 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.160 9.845 -7.530 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.848 9.971 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.353 9.090 -6.215 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.820 8.202 -6.053 1.00 0.00 H new ATOM 1539 N ASP A 109 -10.602 8.814 -10.807 1.00 0.00 N ATOM 1540 CA ASP A 109 -10.571 9.147 -12.220 1.00 0.00 C ATOM 1541 C ASP A 109 -11.135 7.976 -13.027 1.00 0.00 C ATOM 1542 O ASP A 109 -12.279 8.023 -13.480 1.00 0.00 O ATOM 1543 CB ASP A 109 -9.139 9.401 -12.695 1.00 0.00 C ATOM 1544 CG ASP A 109 -8.662 10.849 -12.562 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -8.736 11.637 -13.516 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -8.190 11.162 -11.403 1.00 0.00 O ATOM 0 H ASP A 109 -9.700 8.877 -10.334 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.165 10.049 -12.367 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.465 8.758 -12.129 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -9.060 9.103 -13.740 1.00 0.00 H new TER 1551 ASP A 109