USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 677 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 86 ASN : amide:sc= -2.16 X(o=-6.9,f=-7.4!) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -4.74! C(o=-6.9!,f=-9.1!) USER MOD Set 2.1: A 32 THR OG1 : rot -150:sc= 0.707 USER MOD Set 2.2: A 89 GLN : amide:sc= -1.09 K(o=-0.38,f=-0.96) USER MOD Set 3.1: A 10 MET CE :methyl -159:sc= -4.56! (180deg=-6.92!) USER MOD Set 3.2: A 70 MET CE :methyl 148:sc= -1.81 (180deg=-3.38!) USER MOD Set 4.1: A 6 THR OG1 : rot 180:sc= -0.11 USER MOD Set 4.2: A 38 HIS : no HD1:sc= -1.69! X(o=-1.8!,f=-1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.363 (180deg=-0.493) USER MOD Single : A 2 THR OG1 : rot -6:sc= 1.8 USER MOD Single : A 4 ASN : amide:sc= -0.0837 K(o=-0.084,f=-1) USER MOD Single : A 7 SER OG : rot -160:sc= -2.19! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -3.13 K(o=-3.1,f=-4.3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 19 HIS : no HD1:sc= -11.5! C(o=-11!,f=-11!) USER MOD Single : A 26 LYS NZ :NH3+ -160:sc= -0.0466 (180deg=-0.327) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -2 F(o=-4!,f=-2) USER MOD Single : A 33 GLN : amide:sc= -4.25! C(o=-4.2!,f=-9.8!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -6.57 K(o=-6.6,f=-18!) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 0.977 (180deg=0.976) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0574 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0503 USER MOD Single : A 56 THR OG1 : rot -112:sc= 0.554 USER MOD Single : A 60 ASN : amide:sc= -0.843 K(o=-0.84,f=-3.8!) USER MOD Single : A 64 SER OG : rot -107:sc= 0.579 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= -1.51! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc=-0.00616 X(o=-0.0062,f=-0.15) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -125:sc= 0.189 (180deg=-2.2) USER MOD Single : A 92 SER OG : rot 180:sc= -0.158 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0316 X(o=-0.032,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.819 -4.982 -9.995 1.00 0.00 N ATOM 2 CA MET A 1 6.107 -5.482 -8.791 1.00 0.00 C ATOM 3 C MET A 1 4.611 -5.626 -9.055 1.00 0.00 C ATOM 4 O MET A 1 4.065 -6.727 -8.989 1.00 0.00 O ATOM 5 CB MET A 1 6.348 -4.504 -7.640 1.00 0.00 C ATOM 6 CG MET A 1 7.812 -4.142 -7.448 1.00 0.00 C ATOM 7 SD MET A 1 8.231 -2.536 -8.154 1.00 0.00 S ATOM 8 CE MET A 1 9.522 -2.000 -7.034 1.00 0.00 C ATOM 0 H1 MET A 1 7.577 -5.646 -10.251 1.00 0.00 H new ATOM 0 H2 MET A 1 6.149 -4.901 -10.786 1.00 0.00 H new ATOM 0 H3 MET A 1 7.230 -4.048 -9.792 1.00 0.00 H new ATOM 0 HA MET A 1 6.491 -6.469 -8.532 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.778 -3.593 -7.822 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.966 -4.940 -6.717 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.044 -4.138 -6.383 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.435 -4.910 -7.907 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.885 -1.019 -7.340 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.123 -1.940 -6.021 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.345 -2.715 -7.058 1.00 0.00 H new ATOM 20 N THR A 2 3.959 -4.507 -9.353 1.00 0.00 N ATOM 21 CA THR A 2 2.525 -4.495 -9.629 1.00 0.00 C ATOM 22 C THR A 2 1.732 -5.056 -8.454 1.00 0.00 C ATOM 23 O THR A 2 1.843 -6.235 -8.118 1.00 0.00 O ATOM 24 CB THR A 2 2.210 -5.291 -10.894 1.00 0.00 C ATOM 25 OG1 THR A 2 2.241 -6.683 -10.635 1.00 0.00 O ATOM 26 CG2 THR A 2 3.167 -5.012 -12.033 1.00 0.00 C ATOM 0 H THR A 2 4.403 -3.591 -9.410 1.00 0.00 H new ATOM 0 HA THR A 2 2.229 -3.457 -9.781 1.00 0.00 H new ATOM 0 HB THR A 2 1.213 -4.969 -11.194 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.556 -6.839 -9.720 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.885 -5.610 -12.900 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.125 -3.954 -12.293 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.181 -5.270 -11.728 1.00 0.00 H new ATOM 31 N LEU A 3 0.935 -4.198 -7.831 1.00 0.00 N ATOM 32 CA LEU A 3 0.124 -4.596 -6.688 1.00 0.00 C ATOM 33 C LEU A 3 -1.156 -5.298 -7.118 1.00 0.00 C ATOM 34 O LEU A 3 -1.910 -4.804 -7.954 1.00 0.00 O ATOM 35 CB LEU A 3 -0.189 -3.381 -5.808 1.00 0.00 C ATOM 36 CG LEU A 3 -1.299 -2.438 -6.302 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.135 -2.120 -7.780 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.680 -3.022 -6.034 1.00 0.00 C ATOM 0 H LEU A 3 0.833 -3.219 -8.099 1.00 0.00 H new ATOM 0 HA LEU A 3 0.703 -5.312 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.464 -3.741 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.726 -2.799 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.208 -1.508 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.935 -1.452 -8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.171 -1.637 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.181 -3.043 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.443 -2.332 -6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.779 -3.976 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.808 -3.177 -4.963 1.00 0.00 H new ATOM 44 N ASN A 4 -1.390 -6.465 -6.532 1.00 0.00 N ATOM 45 CA ASN A 4 -2.573 -7.251 -6.843 1.00 0.00 C ATOM 46 C ASN A 4 -3.736 -6.870 -5.936 1.00 0.00 C ATOM 47 O ASN A 4 -3.550 -6.254 -4.882 1.00 0.00 O ATOM 48 CB ASN A 4 -2.271 -8.738 -6.694 1.00 0.00 C ATOM 49 CG ASN A 4 -1.071 -9.173 -7.510 1.00 0.00 C ATOM 50 OD1 ASN A 4 0.065 -8.800 -7.214 1.00 0.00 O ATOM 51 ND2 ASN A 4 -1.316 -9.966 -8.547 1.00 0.00 N ATOM 0 H ASN A 4 -0.774 -6.887 -5.838 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.855 -7.041 -7.875 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.093 -8.965 -5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.143 -9.315 -7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.547 -10.290 -9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.273 -10.251 -8.756 1.00 0.00 H new ATOM 56 N ILE A 5 -4.938 -7.245 -6.351 1.00 0.00 N ATOM 57 CA ILE A 5 -6.134 -6.949 -5.582 1.00 0.00 C ATOM 58 C ILE A 5 -6.994 -8.195 -5.407 1.00 0.00 C ATOM 59 O ILE A 5 -6.961 -9.106 -6.236 1.00 0.00 O ATOM 60 CB ILE A 5 -6.982 -5.847 -6.248 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.123 -4.639 -6.623 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.088 -5.412 -5.304 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.170 -4.870 -7.766 1.00 0.00 C ATOM 0 H ILE A 5 -5.109 -7.755 -7.217 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.799 -6.596 -4.607 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.415 -6.256 -7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.781 -3.809 -6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.550 -4.333 -5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.685 -4.633 -5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.724 -6.266 -5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.650 -5.024 -4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.605 -3.958 -7.959 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.482 -5.676 -7.509 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.732 -5.144 -8.659 1.00 0.00 H new ATOM 67 N THR A 6 -7.764 -8.230 -4.325 1.00 0.00 N ATOM 68 CA THR A 6 -8.632 -9.367 -4.043 1.00 0.00 C ATOM 69 C THR A 6 -9.825 -8.946 -3.190 1.00 0.00 C ATOM 70 O THR A 6 -9.850 -9.177 -1.981 1.00 0.00 O ATOM 71 CB THR A 6 -7.845 -10.471 -3.335 1.00 0.00 C ATOM 72 OG1 THR A 6 -6.758 -10.902 -4.133 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.683 -11.688 -3.006 1.00 0.00 C ATOM 0 H THR A 6 -7.805 -7.485 -3.630 1.00 0.00 H new ATOM 0 HA THR A 6 -9.008 -9.750 -4.992 1.00 0.00 H new ATOM 0 HB THR A 6 -7.499 -10.025 -2.402 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.266 -11.607 -3.662 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.063 -12.432 -2.505 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.504 -11.398 -2.350 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.086 -12.112 -3.926 1.00 0.00 H new ATOM 78 N SER A 7 -10.815 -8.331 -3.830 1.00 0.00 N ATOM 79 CA SER A 7 -12.016 -7.883 -3.132 1.00 0.00 C ATOM 80 C SER A 7 -13.023 -9.023 -3.018 1.00 0.00 C ATOM 81 O SER A 7 -13.312 -9.708 -3.999 1.00 0.00 O ATOM 82 CB SER A 7 -12.647 -6.696 -3.860 1.00 0.00 C ATOM 83 OG SER A 7 -11.994 -6.438 -5.091 1.00 0.00 O ATOM 0 H SER A 7 -10.810 -8.131 -4.830 1.00 0.00 H new ATOM 0 HA SER A 7 -11.731 -7.566 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.703 -6.898 -4.042 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.596 -5.810 -3.227 1.00 0.00 H new ATOM 0 HG SER A 7 -12.187 -5.521 -5.378 1.00 0.00 H new ATOM 89 N LYS A 8 -13.545 -9.231 -1.814 1.00 0.00 N ATOM 90 CA LYS A 8 -14.510 -10.299 -1.574 1.00 0.00 C ATOM 91 C LYS A 8 -15.767 -10.134 -2.430 1.00 0.00 C ATOM 92 O LYS A 8 -16.322 -11.116 -2.923 1.00 0.00 O ATOM 93 CB LYS A 8 -14.882 -10.357 -0.086 1.00 0.00 C ATOM 94 CG LYS A 8 -16.022 -9.429 0.309 1.00 0.00 C ATOM 95 CD LYS A 8 -16.062 -9.205 1.813 1.00 0.00 C ATOM 96 CE LYS A 8 -16.784 -10.337 2.527 1.00 0.00 C ATOM 97 NZ LYS A 8 -17.735 -9.828 3.554 1.00 0.00 N ATOM 0 H LYS A 8 -13.317 -8.675 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.038 -11.239 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.157 -11.381 0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.002 -10.106 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.906 -8.472 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.970 -9.854 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.045 -9.122 2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.562 -8.261 2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.325 -10.940 1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.053 -10.992 3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.207 -10.630 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.215 -9.274 4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.448 -9.224 3.098 1.00 0.00 H new ATOM 111 N GLN A 9 -16.222 -8.895 -2.590 1.00 0.00 N ATOM 112 CA GLN A 9 -17.425 -8.622 -3.373 1.00 0.00 C ATOM 113 C GLN A 9 -17.148 -7.641 -4.516 1.00 0.00 C ATOM 114 O GLN A 9 -16.758 -8.057 -5.608 1.00 0.00 O ATOM 115 CB GLN A 9 -18.536 -8.090 -2.464 1.00 0.00 C ATOM 116 CG GLN A 9 -18.033 -7.184 -1.350 1.00 0.00 C ATOM 117 CD GLN A 9 -19.062 -6.146 -0.947 1.00 0.00 C ATOM 118 OE1 GLN A 9 -19.351 -5.218 -1.700 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.623 -6.303 0.246 1.00 0.00 N ATOM 0 H GLN A 9 -15.779 -8.067 -2.191 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.751 -9.560 -3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.257 -7.541 -3.069 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.067 -8.933 -2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.771 -7.789 -0.482 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.122 -6.682 -1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.352 -7.089 0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -20.325 -5.638 0.571 1.00 0.00 H new ATOM 126 N MET A 10 -17.360 -6.342 -4.269 1.00 0.00 N ATOM 127 CA MET A 10 -17.140 -5.312 -5.285 1.00 0.00 C ATOM 128 C MET A 10 -15.900 -5.611 -6.120 1.00 0.00 C ATOM 129 O MET A 10 -14.772 -5.473 -5.648 1.00 0.00 O ATOM 130 CB MET A 10 -17.005 -3.938 -4.630 1.00 0.00 C ATOM 131 CG MET A 10 -16.118 -3.936 -3.398 1.00 0.00 C ATOM 132 SD MET A 10 -16.375 -2.495 -2.348 1.00 0.00 S ATOM 133 CE MET A 10 -14.714 -2.246 -1.734 1.00 0.00 C ATOM 0 H MET A 10 -17.684 -5.982 -3.372 1.00 0.00 H new ATOM 0 HA MET A 10 -18.006 -5.311 -5.948 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.601 -3.235 -5.359 1.00 0.00 H new ATOM 0 HB3 MET A 10 -17.996 -3.577 -4.354 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.308 -4.839 -2.819 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.074 -3.971 -3.709 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.750 -1.661 -0.815 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.252 -3.212 -1.531 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.126 -1.713 -2.481 1.00 0.00 H new ATOM 143 N ASP A 11 -16.121 -6.036 -7.358 1.00 0.00 N ATOM 144 CA ASP A 11 -15.025 -6.372 -8.257 1.00 0.00 C ATOM 145 C ASP A 11 -14.063 -5.200 -8.427 1.00 0.00 C ATOM 146 O ASP A 11 -14.254 -4.135 -7.842 1.00 0.00 O ATOM 147 CB ASP A 11 -15.569 -6.804 -9.620 1.00 0.00 C ATOM 148 CG ASP A 11 -16.657 -7.853 -9.500 1.00 0.00 C ATOM 149 OD1 ASP A 11 -16.323 -9.056 -9.475 1.00 0.00 O ATOM 150 OD2 ASP A 11 -17.845 -7.471 -9.431 1.00 0.00 O ATOM 0 H ASP A 11 -17.050 -6.156 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.473 -7.200 -7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.963 -5.933 -10.144 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.753 -7.198 -10.226 1.00 0.00 H new ATOM 155 N ILE A 12 -13.026 -5.409 -9.235 1.00 0.00 N ATOM 156 CA ILE A 12 -12.029 -4.373 -9.486 1.00 0.00 C ATOM 157 C ILE A 12 -12.321 -3.642 -10.791 1.00 0.00 C ATOM 158 O ILE A 12 -12.643 -4.260 -11.805 1.00 0.00 O ATOM 159 CB ILE A 12 -10.588 -4.938 -9.551 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.530 -6.374 -9.016 1.00 0.00 C ATOM 161 CG2 ILE A 12 -9.627 -4.046 -8.773 1.00 0.00 C ATOM 162 CD1 ILE A 12 -11.023 -6.510 -7.591 1.00 0.00 C ATOM 0 H ILE A 12 -12.855 -6.286 -9.727 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.093 -3.684 -8.644 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.284 -4.954 -10.598 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.128 -7.018 -9.661 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.502 -6.732 -9.072 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.620 -4.459 -8.830 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.633 -3.044 -9.202 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.940 -3.996 -7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.953 -7.552 -7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.410 -5.893 -6.934 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.061 -6.183 -7.532 1.00 0.00 H new ATOM 166 N THR A 13 -12.198 -2.324 -10.754 1.00 0.00 N ATOM 167 CA THR A 13 -12.438 -1.494 -11.923 1.00 0.00 C ATOM 168 C THR A 13 -11.424 -0.350 -11.966 1.00 0.00 C ATOM 169 O THR A 13 -10.558 -0.252 -11.095 1.00 0.00 O ATOM 170 CB THR A 13 -13.873 -0.951 -11.909 1.00 0.00 C ATOM 171 OG1 THR A 13 -13.908 0.389 -11.452 1.00 0.00 O ATOM 172 CG2 THR A 13 -14.821 -1.754 -11.039 1.00 0.00 C ATOM 0 H THR A 13 -11.931 -1.803 -9.919 1.00 0.00 H new ATOM 0 HA THR A 13 -12.316 -2.101 -12.820 1.00 0.00 H new ATOM 0 HB THR A 13 -14.206 -1.024 -12.944 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.833 0.711 -11.454 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.816 -1.310 -11.079 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.867 -2.781 -11.402 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.463 -1.749 -10.010 1.00 0.00 H new ATOM 177 N PRO A 14 -11.506 0.531 -12.977 1.00 0.00 N ATOM 178 CA PRO A 14 -10.580 1.659 -13.115 1.00 0.00 C ATOM 179 C PRO A 14 -10.330 2.390 -11.798 1.00 0.00 C ATOM 180 O PRO A 14 -9.184 2.626 -11.419 1.00 0.00 O ATOM 181 CB PRO A 14 -11.298 2.571 -14.104 1.00 0.00 C ATOM 182 CG PRO A 14 -12.077 1.638 -14.966 1.00 0.00 C ATOM 183 CD PRO A 14 -12.498 0.501 -14.072 1.00 0.00 C ATOM 0 HA PRO A 14 -9.591 1.335 -13.440 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.951 3.278 -13.592 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.591 3.157 -14.690 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.945 2.137 -15.397 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.471 1.277 -15.797 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.512 0.640 -13.698 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.482 -0.452 -14.601 1.00 0.00 H new ATOM 191 N ALA A 15 -11.408 2.754 -11.106 1.00 0.00 N ATOM 192 CA ALA A 15 -11.295 3.464 -9.833 1.00 0.00 C ATOM 193 C ALA A 15 -10.314 2.767 -8.894 1.00 0.00 C ATOM 194 O ALA A 15 -9.146 3.146 -8.820 1.00 0.00 O ATOM 195 CB ALA A 15 -12.662 3.600 -9.178 1.00 0.00 C ATOM 0 H ALA A 15 -12.366 2.570 -11.404 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.906 4.461 -10.037 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.561 4.131 -8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.327 4.157 -9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.078 2.609 -8.996 1.00 0.00 H new ATOM 201 N ILE A 16 -10.787 1.743 -8.184 1.00 0.00 N ATOM 202 CA ILE A 16 -9.935 0.998 -7.262 1.00 0.00 C ATOM 203 C ILE A 16 -8.612 0.639 -7.928 1.00 0.00 C ATOM 204 O ILE A 16 -7.550 1.046 -7.468 1.00 0.00 O ATOM 205 CB ILE A 16 -10.609 -0.295 -6.754 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.530 -0.894 -7.826 1.00 0.00 C ATOM 207 CG2 ILE A 16 -11.366 -0.025 -5.463 1.00 0.00 C ATOM 208 CD1 ILE A 16 -12.984 -0.490 -7.704 1.00 0.00 C ATOM 0 H ILE A 16 -11.751 1.413 -8.230 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.759 1.649 -6.406 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.831 -1.030 -6.544 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.165 -0.595 -8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.463 -1.981 -7.778 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.836 -0.946 -5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.673 0.336 -4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.133 0.729 -5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.560 -0.959 -8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.372 -0.813 -6.738 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.069 0.594 -7.785 1.00 0.00 H new ATOM 212 N ARG A 17 -8.684 -0.107 -9.030 1.00 0.00 N ATOM 213 CA ARG A 17 -7.483 -0.502 -9.768 1.00 0.00 C ATOM 214 C ARG A 17 -6.494 0.665 -9.839 1.00 0.00 C ATOM 215 O ARG A 17 -5.375 0.581 -9.332 1.00 0.00 O ATOM 216 CB ARG A 17 -7.855 -0.955 -11.182 1.00 0.00 C ATOM 217 CG ARG A 17 -6.756 -1.741 -11.879 1.00 0.00 C ATOM 218 CD ARG A 17 -7.280 -2.457 -13.112 1.00 0.00 C ATOM 219 NE ARG A 17 -6.607 -3.735 -13.331 1.00 0.00 N ATOM 220 CZ ARG A 17 -6.894 -4.849 -12.661 1.00 0.00 C ATOM 221 NH1 ARG A 17 -7.841 -4.846 -11.731 1.00 0.00 N ATOM 222 NH2 ARG A 17 -6.233 -5.968 -12.922 1.00 0.00 N ATOM 0 H ARG A 17 -9.557 -0.449 -9.431 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.012 -1.332 -9.242 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.754 -1.569 -11.133 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.100 -0.079 -11.782 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.949 -1.066 -12.164 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.333 -2.469 -11.187 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.352 -2.625 -13.005 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.143 -1.821 -13.986 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.874 -3.776 -14.039 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.353 -3.988 -11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.057 -5.702 -11.220 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.505 -5.975 -13.636 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.453 -6.822 -12.409 1.00 0.00 H new ATOM 236 N GLU A 18 -6.933 1.761 -10.453 1.00 0.00 N ATOM 237 CA GLU A 18 -6.107 2.957 -10.579 1.00 0.00 C ATOM 238 C GLU A 18 -5.716 3.489 -9.205 1.00 0.00 C ATOM 239 O GLU A 18 -4.583 3.921 -8.994 1.00 0.00 O ATOM 240 CB GLU A 18 -6.856 4.036 -11.364 1.00 0.00 C ATOM 241 CG GLU A 18 -6.068 5.325 -11.535 1.00 0.00 C ATOM 242 CD GLU A 18 -4.939 5.190 -12.538 1.00 0.00 C ATOM 243 OE1 GLU A 18 -3.973 4.453 -12.249 1.00 0.00 O ATOM 244 OE2 GLU A 18 -5.022 5.819 -13.613 1.00 0.00 O ATOM 0 H GLU A 18 -7.859 1.845 -10.872 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.198 2.690 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.113 3.644 -12.348 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.794 4.259 -10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.742 6.119 -11.857 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.658 5.627 -10.571 1.00 0.00 H new ATOM 251 N HIS A 19 -6.659 3.442 -8.268 1.00 0.00 N ATOM 252 CA HIS A 19 -6.417 3.903 -6.912 1.00 0.00 C ATOM 253 C HIS A 19 -5.334 3.044 -6.271 1.00 0.00 C ATOM 254 O HIS A 19 -4.208 3.493 -6.064 1.00 0.00 O ATOM 255 CB HIS A 19 -7.712 3.815 -6.111 1.00 0.00 C ATOM 256 CG HIS A 19 -7.773 4.724 -4.938 1.00 0.00 C ATOM 257 ND1 HIS A 19 -7.255 6.002 -4.924 1.00 0.00 N ATOM 258 CD2 HIS A 19 -8.327 4.527 -3.735 1.00 0.00 C ATOM 259 CE1 HIS A 19 -7.494 6.553 -3.746 1.00 0.00 C ATOM 260 NE2 HIS A 19 -8.145 5.674 -3.004 1.00 0.00 N ATOM 0 H HIS A 19 -7.602 3.087 -8.428 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.080 4.940 -6.926 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.549 4.039 -6.772 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.843 2.789 -5.767 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.826 3.629 -3.401 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.207 7.549 -3.443 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.460 5.824 -2.046 1.00 0.00 H new ATOM 269 N LEU A 20 -5.686 1.792 -5.995 1.00 0.00 N ATOM 270 CA LEU A 20 -4.759 0.824 -5.414 1.00 0.00 C ATOM 271 C LEU A 20 -3.389 0.927 -6.084 1.00 0.00 C ATOM 272 O LEU A 20 -2.357 1.031 -5.411 1.00 0.00 O ATOM 273 CB LEU A 20 -5.333 -0.582 -5.581 1.00 0.00 C ATOM 274 CG LEU A 20 -6.826 -0.701 -5.229 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.361 -2.089 -5.525 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.061 -0.330 -3.776 1.00 0.00 C ATOM 0 H LEU A 20 -6.620 1.419 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.631 1.038 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.188 -0.901 -6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.767 -1.270 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.373 0.000 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.418 -2.135 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.240 -2.307 -6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.810 -2.824 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.122 -0.420 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.491 -1.000 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.738 0.697 -3.606 1.00 0.00 H new ATOM 282 N GLU A 21 -3.391 0.923 -7.415 1.00 0.00 N ATOM 283 CA GLU A 21 -2.154 1.038 -8.177 1.00 0.00 C ATOM 284 C GLU A 21 -1.474 2.368 -7.882 1.00 0.00 C ATOM 285 O GLU A 21 -0.303 2.408 -7.498 1.00 0.00 O ATOM 286 CB GLU A 21 -2.437 0.907 -9.675 1.00 0.00 C ATOM 287 CG GLU A 21 -2.960 -0.463 -10.075 1.00 0.00 C ATOM 288 CD GLU A 21 -3.523 -0.486 -11.484 1.00 0.00 C ATOM 289 OE1 GLU A 21 -4.256 0.459 -11.844 1.00 0.00 O ATOM 290 OE2 GLU A 21 -3.230 -1.448 -12.224 1.00 0.00 O ATOM 0 H GLU A 21 -4.233 0.842 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.485 0.231 -7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.164 1.664 -9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.522 1.114 -10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.153 -1.192 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.735 -0.771 -9.373 1.00 0.00 H new ATOM 297 N GLU A 22 -2.219 3.458 -8.047 1.00 0.00 N ATOM 298 CA GLU A 22 -1.687 4.791 -7.779 1.00 0.00 C ATOM 299 C GLU A 22 -1.112 4.852 -6.368 1.00 0.00 C ATOM 300 O GLU A 22 -0.009 5.359 -6.154 1.00 0.00 O ATOM 301 CB GLU A 22 -2.779 5.850 -7.946 1.00 0.00 C ATOM 302 CG GLU A 22 -2.282 7.272 -7.737 1.00 0.00 C ATOM 303 CD GLU A 22 -1.323 7.720 -8.821 1.00 0.00 C ATOM 304 OE1 GLU A 22 -0.114 7.434 -8.700 1.00 0.00 O ATOM 305 OE2 GLU A 22 -1.782 8.356 -9.794 1.00 0.00 O ATOM 0 H GLU A 22 -3.189 3.445 -8.364 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.892 4.996 -8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.206 5.766 -8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.583 5.647 -7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.135 7.950 -7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.787 7.341 -6.768 1.00 0.00 H new ATOM 312 N ARG A 23 -1.861 4.309 -5.410 1.00 0.00 N ATOM 313 CA ARG A 23 -1.422 4.279 -4.023 1.00 0.00 C ATOM 314 C ARG A 23 -0.090 3.552 -3.915 1.00 0.00 C ATOM 315 O ARG A 23 0.858 4.053 -3.307 1.00 0.00 O ATOM 316 CB ARG A 23 -2.470 3.597 -3.147 1.00 0.00 C ATOM 317 CG ARG A 23 -3.720 4.433 -2.928 1.00 0.00 C ATOM 318 CD ARG A 23 -3.384 5.861 -2.522 1.00 0.00 C ATOM 319 NE ARG A 23 -4.566 6.598 -2.081 1.00 0.00 N ATOM 320 CZ ARG A 23 -4.636 7.926 -2.029 1.00 0.00 C ATOM 321 NH1 ARG A 23 -3.592 8.667 -2.383 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.751 8.516 -1.620 1.00 0.00 N ATOM 0 H ARG A 23 -2.774 3.885 -5.572 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.294 5.304 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.753 2.649 -3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.026 3.363 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.313 4.446 -3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.335 3.971 -2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.646 5.846 -1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.927 6.379 -3.365 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.386 6.063 -1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.731 8.219 -2.697 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.651 9.684 -2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.555 7.952 -1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.804 9.534 -1.580 1.00 0.00 H new ATOM 336 N LEU A 24 -0.016 2.374 -4.534 1.00 0.00 N ATOM 337 CA LEU A 24 1.216 1.596 -4.526 1.00 0.00 C ATOM 338 C LEU A 24 2.346 2.424 -5.126 1.00 0.00 C ATOM 339 O LEU A 24 3.425 2.548 -4.542 1.00 0.00 O ATOM 340 CB LEU A 24 1.036 0.297 -5.322 1.00 0.00 C ATOM 341 CG LEU A 24 2.016 -0.834 -4.985 1.00 0.00 C ATOM 342 CD1 LEU A 24 3.449 -0.331 -4.945 1.00 0.00 C ATOM 343 CD2 LEU A 24 1.642 -1.495 -3.666 1.00 0.00 C ATOM 0 H LEU A 24 -0.788 1.943 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 24 1.464 1.338 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.021 -0.067 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.128 0.528 -6.383 1.00 0.00 H new ATOM 0 HG LEU A 24 1.947 -1.580 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.118 -1.157 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.717 0.081 -5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.541 0.445 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.350 -2.294 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.671 -0.754 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.637 -1.910 -3.739 1.00 0.00 H new ATOM 349 N ALA A 25 2.076 3.010 -6.291 1.00 0.00 N ATOM 350 CA ALA A 25 3.056 3.849 -6.965 1.00 0.00 C ATOM 351 C ALA A 25 3.491 4.981 -6.044 1.00 0.00 C ATOM 352 O ALA A 25 4.643 5.418 -6.076 1.00 0.00 O ATOM 353 CB ALA A 25 2.481 4.405 -8.259 1.00 0.00 C ATOM 0 H ALA A 25 1.188 2.918 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 25 3.928 3.243 -7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.227 5.030 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.207 3.582 -8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.597 5.002 -8.037 1.00 0.00 H new ATOM 359 N LYS A 26 2.561 5.438 -5.209 1.00 0.00 N ATOM 360 CA LYS A 26 2.845 6.502 -4.258 1.00 0.00 C ATOM 361 C LYS A 26 3.731 5.973 -3.137 1.00 0.00 C ATOM 362 O LYS A 26 4.652 6.651 -2.684 1.00 0.00 O ATOM 363 CB LYS A 26 1.546 7.068 -3.682 1.00 0.00 C ATOM 364 CG LYS A 26 1.700 8.458 -3.086 1.00 0.00 C ATOM 365 CD LYS A 26 0.995 9.509 -3.928 1.00 0.00 C ATOM 366 CE LYS A 26 0.755 10.787 -3.139 1.00 0.00 C ATOM 367 NZ LYS A 26 -0.252 10.592 -2.059 1.00 0.00 N ATOM 0 H LYS A 26 1.604 5.086 -5.174 1.00 0.00 H new ATOM 0 HA LYS A 26 3.369 7.304 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.793 7.101 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.174 6.391 -2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.293 8.468 -2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.759 8.705 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.595 9.732 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.043 9.114 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.694 11.126 -2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.416 11.572 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.638 11.515 -1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.023 9.987 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.201 10.138 -1.240 1.00 0.00 H new ATOM 381 N LEU A 27 3.452 4.744 -2.704 1.00 0.00 N ATOM 382 CA LEU A 27 4.235 4.112 -1.648 1.00 0.00 C ATOM 383 C LEU A 27 5.580 3.626 -2.190 1.00 0.00 C ATOM 384 O LEU A 27 6.456 3.221 -1.429 1.00 0.00 O ATOM 385 CB LEU A 27 3.461 2.945 -1.021 1.00 0.00 C ATOM 386 CG LEU A 27 2.711 3.284 0.271 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.118 2.028 0.888 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.634 3.983 1.261 1.00 0.00 C ATOM 0 H LEU A 27 2.692 4.169 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 27 4.422 4.857 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.744 2.570 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.160 2.134 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 27 1.896 3.965 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.589 2.288 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.422 1.571 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.917 1.323 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.082 4.215 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.472 3.329 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.009 4.906 0.819 1.00 0.00 H new ATOM 394 N GLY A 28 5.741 3.672 -3.512 1.00 0.00 N ATOM 395 CA GLY A 28 6.985 3.238 -4.121 1.00 0.00 C ATOM 396 C GLY A 28 8.177 4.048 -3.651 1.00 0.00 C ATOM 397 O GLY A 28 9.263 3.506 -3.445 1.00 0.00 O ATOM 0 H GLY A 28 5.033 4.001 -4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.151 2.186 -3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.902 3.316 -5.205 1.00 0.00 H new ATOM 401 N LYS A 29 7.974 5.350 -3.484 1.00 0.00 N ATOM 402 CA LYS A 29 9.045 6.240 -3.039 1.00 0.00 C ATOM 403 C LYS A 29 9.326 6.087 -1.545 1.00 0.00 C ATOM 404 O LYS A 29 10.274 6.675 -1.023 1.00 0.00 O ATOM 405 CB LYS A 29 8.692 7.697 -3.352 1.00 0.00 C ATOM 406 CG LYS A 29 7.587 8.278 -2.476 1.00 0.00 C ATOM 407 CD LYS A 29 7.978 9.633 -1.903 1.00 0.00 C ATOM 408 CE LYS A 29 7.702 9.708 -0.408 1.00 0.00 C ATOM 409 NZ LYS A 29 8.330 10.907 0.212 1.00 0.00 N ATOM 0 H LYS A 29 7.081 5.814 -3.649 1.00 0.00 H new ATOM 0 HA LYS A 29 9.947 5.959 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.588 8.308 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.387 7.768 -4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.674 8.380 -3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.367 7.588 -1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.037 9.816 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.424 10.419 -2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.626 9.733 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.080 8.808 0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.119 10.922 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.360 10.871 0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.950 11.767 -0.233 1.00 0.00 H new ATOM 423 N TRP A 30 8.495 5.312 -0.858 1.00 0.00 N ATOM 424 CA TRP A 30 8.658 5.106 0.575 1.00 0.00 C ATOM 425 C TRP A 30 9.769 4.100 0.874 1.00 0.00 C ATOM 426 O TRP A 30 9.507 3.005 1.372 1.00 0.00 O ATOM 427 CB TRP A 30 7.338 4.649 1.193 1.00 0.00 C ATOM 428 CG TRP A 30 6.539 5.775 1.769 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.599 6.532 1.131 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.618 6.275 3.104 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.088 7.473 1.993 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.699 7.334 3.213 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.378 5.924 4.219 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.523 8.046 4.397 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.205 6.630 5.391 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.283 7.680 5.474 1.00 0.00 C ATOM 0 H TRP A 30 7.704 4.817 -1.269 1.00 0.00 H new ATOM 0 HA TRP A 30 8.948 6.057 1.022 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.744 4.142 0.433 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.544 3.919 1.976 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.301 6.410 0.100 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.372 8.162 1.763 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.090 5.113 4.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.813 8.857 4.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.791 6.368 6.260 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.169 8.212 6.407 1.00 0.00 H new ATOM 447 N GLN A 31 11.009 4.499 0.565 1.00 0.00 N ATOM 448 CA GLN A 31 12.210 3.672 0.781 1.00 0.00 C ATOM 449 C GLN A 31 11.884 2.217 1.119 1.00 0.00 C ATOM 450 O GLN A 31 12.226 1.729 2.196 1.00 0.00 O ATOM 451 CB GLN A 31 13.090 4.269 1.887 1.00 0.00 C ATOM 452 CG GLN A 31 12.311 4.956 2.995 1.00 0.00 C ATOM 453 CD GLN A 31 11.880 6.354 2.610 1.00 0.00 C ATOM 454 OE1 GLN A 31 10.576 6.557 2.499 1.00 0.00 O flip ATOM 455 NE2 GLN A 31 12.710 7.242 2.413 1.00 0.00 N flip ATOM 0 H GLN A 31 11.212 5.411 0.155 1.00 0.00 H new ATOM 0 HA GLN A 31 12.751 3.674 -0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.697 3.475 2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.778 4.988 1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.431 4.361 3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.926 5.002 3.894 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.705 7.041 2.510 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.402 8.179 2.153 1.00 0.00 H new ATOM 462 N THR A 32 11.222 1.527 0.196 1.00 0.00 N ATOM 463 CA THR A 32 10.858 0.139 0.406 1.00 0.00 C ATOM 464 C THR A 32 10.652 -0.577 -0.928 1.00 0.00 C ATOM 465 O THR A 32 10.447 0.054 -1.965 1.00 0.00 O ATOM 466 CB THR A 32 9.589 0.064 1.265 1.00 0.00 C ATOM 467 OG1 THR A 32 9.908 0.204 2.637 1.00 0.00 O ATOM 468 CG2 THR A 32 8.812 -1.225 1.113 1.00 0.00 C ATOM 0 H THR A 32 10.929 1.910 -0.703 1.00 0.00 H new ATOM 0 HA THR A 32 11.671 -0.364 0.930 1.00 0.00 H new ATOM 0 HB THR A 32 8.964 0.882 0.906 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.257 -0.291 3.176 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.931 -1.196 1.754 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.502 -1.343 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.443 -2.066 1.401 1.00 0.00 H new ATOM 473 N GLN A 33 10.680 -1.901 -0.875 1.00 0.00 N ATOM 474 CA GLN A 33 10.470 -2.736 -2.045 1.00 0.00 C ATOM 475 C GLN A 33 9.335 -3.687 -1.741 1.00 0.00 C ATOM 476 O GLN A 33 9.524 -4.734 -1.122 1.00 0.00 O ATOM 477 CB GLN A 33 11.728 -3.517 -2.415 1.00 0.00 C ATOM 478 CG GLN A 33 12.543 -3.972 -1.216 1.00 0.00 C ATOM 479 CD GLN A 33 13.536 -2.915 -0.761 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.259 -1.719 -0.836 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.699 -3.349 -0.287 1.00 0.00 N ATOM 0 H GLN A 33 10.849 -2.426 -0.017 1.00 0.00 H new ATOM 0 HA GLN A 33 10.226 -2.104 -2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.443 -4.391 -3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.355 -2.896 -3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.871 -4.214 -0.393 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.079 -4.886 -1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.890 -4.350 -0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.401 -2.681 0.031 1.00 0.00 H new ATOM 488 N LEU A 34 8.149 -3.278 -2.134 1.00 0.00 N ATOM 489 CA LEU A 34 6.948 -4.043 -1.865 1.00 0.00 C ATOM 490 C LEU A 34 7.083 -5.499 -2.282 1.00 0.00 C ATOM 491 O LEU A 34 6.852 -5.856 -3.437 1.00 0.00 O ATOM 492 CB LEU A 34 5.737 -3.409 -2.555 1.00 0.00 C ATOM 493 CG LEU A 34 5.678 -1.877 -2.518 1.00 0.00 C ATOM 494 CD1 LEU A 34 6.327 -1.329 -1.249 1.00 0.00 C ATOM 495 CD2 LEU A 34 6.339 -1.296 -3.758 1.00 0.00 C ATOM 0 H LEU A 34 7.988 -2.411 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 34 6.798 -4.025 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.726 -3.730 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.831 -3.801 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 34 4.630 -1.576 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.270 -0.241 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.803 -1.718 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.372 -1.637 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.291 -0.208 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.382 -1.612 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.819 -1.651 -4.648 1.00 0.00 H new ATOM 501 N ILE A 35 7.434 -6.339 -1.317 1.00 0.00 N ATOM 502 CA ILE A 35 7.572 -7.762 -1.558 1.00 0.00 C ATOM 503 C ILE A 35 6.202 -8.372 -1.827 1.00 0.00 C ATOM 504 O ILE A 35 5.514 -8.813 -0.907 1.00 0.00 O ATOM 505 CB ILE A 35 8.235 -8.460 -0.358 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.699 -8.012 -0.253 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.132 -9.978 -0.493 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.541 -8.900 0.625 1.00 0.00 C ATOM 0 H ILE A 35 7.628 -6.054 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 35 8.210 -7.906 -2.430 1.00 0.00 H new ATOM 0 HB ILE A 35 7.714 -8.176 0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.134 -7.985 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.732 -6.994 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.607 -10.453 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.082 -10.269 -0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.633 -10.297 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.563 -8.522 0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.131 -8.908 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.540 -9.914 0.225 1.00 0.00 H new ATOM 512 N SER A 36 5.808 -8.375 -3.094 1.00 0.00 N ATOM 513 CA SER A 36 4.510 -8.914 -3.487 1.00 0.00 C ATOM 514 C SER A 36 3.387 -8.221 -2.719 1.00 0.00 C ATOM 515 O SER A 36 3.031 -8.623 -1.611 1.00 0.00 O ATOM 516 CB SER A 36 4.476 -10.423 -3.241 1.00 0.00 C ATOM 517 OG SER A 36 3.144 -10.904 -3.188 1.00 0.00 O ATOM 0 H SER A 36 6.366 -8.011 -3.866 1.00 0.00 H new ATOM 0 HA SER A 36 4.360 -8.728 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.019 -10.936 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.986 -10.653 -2.306 1.00 0.00 H new ATOM 0 HG SER A 36 3.152 -11.871 -3.031 1.00 0.00 H new ATOM 523 N PRO A 37 2.831 -7.148 -3.304 1.00 0.00 N ATOM 524 CA PRO A 37 1.767 -6.358 -2.701 1.00 0.00 C ATOM 525 C PRO A 37 0.362 -6.775 -3.136 1.00 0.00 C ATOM 526 O PRO A 37 0.118 -7.067 -4.308 1.00 0.00 O ATOM 527 CB PRO A 37 2.076 -4.954 -3.219 1.00 0.00 C ATOM 528 CG PRO A 37 2.844 -5.144 -4.497 1.00 0.00 C ATOM 529 CD PRO A 37 3.221 -6.597 -4.602 1.00 0.00 C ATOM 0 HA PRO A 37 1.752 -6.466 -1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.159 -4.392 -3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.661 -4.390 -2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.239 -4.845 -5.353 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.736 -4.518 -4.502 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.696 -7.089 -5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.288 -6.722 -4.787 1.00 0.00 H new ATOM 537 N HIS A 38 -0.561 -6.773 -2.175 1.00 0.00 N ATOM 538 CA HIS A 38 -1.954 -7.122 -2.433 1.00 0.00 C ATOM 539 C HIS A 38 -2.880 -6.068 -1.857 1.00 0.00 C ATOM 540 O HIS A 38 -2.447 -5.163 -1.144 1.00 0.00 O ATOM 541 CB HIS A 38 -2.305 -8.466 -1.805 1.00 0.00 C ATOM 542 CG HIS A 38 -2.553 -9.555 -2.793 1.00 0.00 C ATOM 543 ND1 HIS A 38 -1.810 -10.710 -2.830 1.00 0.00 N ATOM 544 CD2 HIS A 38 -3.485 -9.673 -3.767 1.00 0.00 C ATOM 545 CE1 HIS A 38 -2.275 -11.499 -3.783 1.00 0.00 C ATOM 546 NE2 HIS A 38 -3.292 -10.892 -4.366 1.00 0.00 N ATOM 0 H HIS A 38 -0.365 -6.531 -1.204 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.081 -7.181 -3.514 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.493 -8.769 -1.143 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.193 -8.344 -1.185 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.239 -8.944 -4.024 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.889 -12.474 -4.041 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.844 -11.268 -5.137 1.00 0.00 H new ATOM 555 N PHE A 39 -4.161 -6.213 -2.147 1.00 0.00 N ATOM 556 CA PHE A 39 -5.160 -5.294 -1.633 1.00 0.00 C ATOM 557 C PHE A 39 -6.518 -5.974 -1.487 1.00 0.00 C ATOM 558 O PHE A 39 -7.211 -6.216 -2.471 1.00 0.00 O ATOM 559 CB PHE A 39 -5.269 -4.058 -2.518 1.00 0.00 C ATOM 560 CG PHE A 39 -4.717 -2.818 -1.874 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.354 -2.569 -1.859 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.567 -1.904 -1.273 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.850 -1.431 -1.258 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.071 -0.766 -0.670 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.711 -0.528 -0.663 1.00 0.00 C ATOM 0 H PHE A 39 -4.533 -6.958 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.837 -4.977 -0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.739 -4.241 -3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.316 -3.892 -2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.678 -3.272 -2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.632 -2.084 -1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.786 -1.248 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.746 -0.063 -0.204 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.320 0.363 -0.193 1.00 0.00 H new ATOM 575 N VAL A 40 -6.894 -6.273 -0.250 1.00 0.00 N ATOM 576 CA VAL A 40 -8.164 -6.910 0.029 1.00 0.00 C ATOM 577 C VAL A 40 -9.199 -5.857 0.421 1.00 0.00 C ATOM 578 O VAL A 40 -9.205 -5.368 1.551 1.00 0.00 O ATOM 579 CB VAL A 40 -8.015 -7.947 1.157 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.361 -8.538 1.522 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.035 -9.039 0.748 1.00 0.00 C ATOM 0 H VAL A 40 -6.330 -6.081 0.578 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.499 -7.425 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.618 -7.444 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.233 -9.268 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.027 -7.744 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.792 -9.027 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.941 -9.764 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.401 -9.540 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.061 -8.595 0.543 1.00 0.00 H new ATOM 585 N LEU A 41 -10.054 -5.494 -0.529 1.00 0.00 N ATOM 586 CA LEU A 41 -11.075 -4.476 -0.291 1.00 0.00 C ATOM 587 C LEU A 41 -12.481 -5.056 -0.316 1.00 0.00 C ATOM 588 O LEU A 41 -12.768 -5.994 -1.055 1.00 0.00 O ATOM 589 CB LEU A 41 -10.971 -3.364 -1.337 1.00 0.00 C ATOM 590 CG LEU A 41 -11.301 -3.769 -2.771 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.639 -2.545 -3.609 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.143 -4.530 -3.393 1.00 0.00 C ATOM 0 H LEU A 41 -10.062 -5.888 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.893 -4.071 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.639 -2.553 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.957 -2.965 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.172 -4.424 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.871 -2.855 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.502 -2.036 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.786 -1.866 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.398 -4.810 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.255 -3.898 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.944 -5.429 -2.810 1.00 0.00 H new ATOM 598 N ASN A 42 -13.362 -4.471 0.489 1.00 0.00 N ATOM 599 CA ASN A 42 -14.747 -4.913 0.546 1.00 0.00 C ATOM 600 C ASN A 42 -15.683 -3.770 0.922 1.00 0.00 C ATOM 601 O ASN A 42 -15.251 -2.708 1.370 1.00 0.00 O ATOM 602 CB ASN A 42 -14.914 -6.067 1.534 1.00 0.00 C ATOM 603 CG ASN A 42 -13.851 -7.129 1.358 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.818 -7.830 0.347 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.971 -7.251 2.340 1.00 0.00 N ATOM 0 H ASN A 42 -13.140 -3.692 1.109 1.00 0.00 H new ATOM 0 HA ASN A 42 -15.014 -5.262 -0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.873 -5.680 2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.899 -6.516 1.403 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.228 -7.947 2.276 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.036 -6.649 3.161 1.00 0.00 H new ATOM 610 N LYS A 43 -16.970 -4.007 0.738 1.00 0.00 N ATOM 611 CA LYS A 43 -17.991 -3.015 1.053 1.00 0.00 C ATOM 612 C LYS A 43 -19.013 -3.600 2.015 1.00 0.00 C ATOM 613 O LYS A 43 -19.054 -4.810 2.235 1.00 0.00 O ATOM 614 CB LYS A 43 -18.711 -2.565 -0.229 1.00 0.00 C ATOM 615 CG LYS A 43 -20.221 -2.378 -0.064 1.00 0.00 C ATOM 616 CD LYS A 43 -20.890 -2.020 -1.382 1.00 0.00 C ATOM 617 CE LYS A 43 -21.858 -0.856 -1.223 1.00 0.00 C ATOM 618 NZ LYS A 43 -21.463 0.313 -2.057 1.00 0.00 N ATOM 0 H LYS A 43 -17.338 -4.884 0.369 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.503 -2.158 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.274 -1.626 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.530 -3.301 -1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.660 -3.294 0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.413 -1.592 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.129 -1.763 -2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.425 -2.888 -1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.862 -1.178 -1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.898 -0.558 -0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.138 1.090 -1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.509 0.626 -1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.466 0.040 -3.061 1.00 0.00 H new ATOM 632 N VAL A 44 -19.862 -2.736 2.547 1.00 0.00 N ATOM 633 CA VAL A 44 -20.916 -3.158 3.443 1.00 0.00 C ATOM 634 C VAL A 44 -21.942 -2.043 3.647 1.00 0.00 C ATOM 635 O VAL A 44 -21.646 -0.866 3.443 1.00 0.00 O ATOM 636 CB VAL A 44 -20.373 -3.601 4.803 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.911 -5.051 4.755 1.00 0.00 C ATOM 638 CG2 VAL A 44 -19.246 -2.696 5.281 1.00 0.00 C ATOM 0 H VAL A 44 -19.838 -1.732 2.370 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.399 -4.014 2.972 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.189 -3.520 5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.529 -5.344 5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.751 -5.692 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -19.122 -5.157 4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.887 -3.043 6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.428 -2.722 4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.615 -1.675 5.375 1.00 0.00 H new ATOM 642 N PRO A 45 -23.173 -2.398 4.046 1.00 0.00 N ATOM 643 CA PRO A 45 -24.243 -1.419 4.267 1.00 0.00 C ATOM 644 C PRO A 45 -23.807 -0.265 5.162 1.00 0.00 C ATOM 645 O PRO A 45 -24.130 0.894 4.901 1.00 0.00 O ATOM 646 CB PRO A 45 -25.338 -2.241 4.949 1.00 0.00 C ATOM 647 CG PRO A 45 -25.111 -3.637 4.479 1.00 0.00 C ATOM 648 CD PRO A 45 -23.623 -3.779 4.306 1.00 0.00 C ATOM 0 HA PRO A 45 -24.559 -0.947 3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -25.267 -2.172 6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.331 -1.886 4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.490 -4.359 5.202 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.633 -3.822 3.540 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -23.153 -4.193 5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.377 -4.444 3.478 1.00 0.00 H new ATOM 656 N ASN A 46 -23.082 -0.590 6.226 1.00 0.00 N ATOM 657 CA ASN A 46 -22.610 0.416 7.173 1.00 0.00 C ATOM 658 C ASN A 46 -21.349 1.132 6.680 1.00 0.00 C ATOM 659 O ASN A 46 -20.753 1.913 7.421 1.00 0.00 O ATOM 660 CB ASN A 46 -22.337 -0.231 8.531 1.00 0.00 C ATOM 661 CG ASN A 46 -23.602 -0.740 9.195 1.00 0.00 C ATOM 662 OD1 ASN A 46 -24.711 -0.455 8.742 1.00 0.00 O ATOM 663 ND2 ASN A 46 -23.440 -1.497 10.274 1.00 0.00 N ATOM 0 H ASN A 46 -22.807 -1.545 6.456 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.397 1.164 7.268 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.640 -1.059 8.402 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.853 0.494 9.185 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -24.254 -1.868 10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -22.501 -1.707 10.613 1.00 0.00 H new ATOM 668 N GLY A 47 -20.939 0.866 5.441 1.00 0.00 N ATOM 669 CA GLY A 47 -19.757 1.497 4.911 1.00 0.00 C ATOM 670 C GLY A 47 -18.929 0.549 4.074 1.00 0.00 C ATOM 671 O GLY A 47 -19.396 -0.506 3.658 1.00 0.00 O ATOM 0 H GLY A 47 -21.408 0.225 4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.046 2.356 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.151 1.877 5.733 1.00 0.00 H new ATOM 675 N PHE A 48 -17.697 0.933 3.838 1.00 0.00 N ATOM 676 CA PHE A 48 -16.773 0.134 3.054 1.00 0.00 C ATOM 677 C PHE A 48 -15.673 -0.431 3.937 1.00 0.00 C ATOM 678 O PHE A 48 -14.959 0.324 4.604 1.00 0.00 O ATOM 679 CB PHE A 48 -16.130 0.979 1.955 1.00 0.00 C ATOM 680 CG PHE A 48 -16.984 1.203 0.743 1.00 0.00 C ATOM 681 CD1 PHE A 48 -17.868 2.268 0.681 1.00 0.00 C ATOM 682 CD2 PHE A 48 -16.883 0.358 -0.345 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.634 2.481 -0.450 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.646 0.562 -1.474 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.522 1.623 -1.528 1.00 0.00 C ATOM 0 H PHE A 48 -17.302 1.808 4.182 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.340 -0.682 2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.860 1.948 2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.203 0.497 1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -17.959 2.938 1.523 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.196 -0.475 -0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.318 3.316 -0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.557 -0.109 -2.315 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.121 1.785 -2.412 1.00 0.00 H new ATOM 695 N SER A 49 -15.515 -1.750 3.915 1.00 0.00 N ATOM 696 CA SER A 49 -14.465 -2.391 4.685 1.00 0.00 C ATOM 697 C SER A 49 -13.322 -2.720 3.755 1.00 0.00 C ATOM 698 O SER A 49 -13.488 -3.426 2.765 1.00 0.00 O ATOM 699 CB SER A 49 -14.949 -3.652 5.385 1.00 0.00 C ATOM 700 OG SER A 49 -16.310 -3.917 5.096 1.00 0.00 O ATOM 0 H SER A 49 -16.098 -2.389 3.375 1.00 0.00 H new ATOM 0 HA SER A 49 -14.141 -1.703 5.466 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.338 -4.499 5.073 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.819 -3.544 6.462 1.00 0.00 H new ATOM 0 HG SER A 49 -16.590 -4.734 5.559 1.00 0.00 H new ATOM 706 N VAL A 50 -12.176 -2.176 4.065 1.00 0.00 N ATOM 707 CA VAL A 50 -10.999 -2.371 3.237 1.00 0.00 C ATOM 708 C VAL A 50 -9.800 -2.826 4.062 1.00 0.00 C ATOM 709 O VAL A 50 -9.672 -2.471 5.232 1.00 0.00 O ATOM 710 CB VAL A 50 -10.658 -1.063 2.498 1.00 0.00 C ATOM 711 CG1 VAL A 50 -10.249 0.017 3.486 1.00 0.00 C ATOM 712 CG2 VAL A 50 -9.580 -1.293 1.453 1.00 0.00 C ATOM 0 H VAL A 50 -12.024 -1.591 4.887 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.225 -3.155 2.514 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.552 -0.721 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.012 0.933 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.069 0.206 4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.372 -0.313 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.358 -0.354 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.677 -1.666 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.930 -2.025 0.725 1.00 0.00 H new ATOM 716 N GLU A 51 -8.924 -3.609 3.440 1.00 0.00 N ATOM 717 CA GLU A 51 -7.729 -4.114 4.107 1.00 0.00 C ATOM 718 C GLU A 51 -6.606 -4.324 3.099 1.00 0.00 C ATOM 719 O GLU A 51 -6.817 -4.885 2.024 1.00 0.00 O ATOM 720 CB GLU A 51 -8.046 -5.422 4.841 1.00 0.00 C ATOM 721 CG GLU A 51 -6.817 -6.214 5.271 1.00 0.00 C ATOM 722 CD GLU A 51 -6.858 -6.609 6.733 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.645 -7.514 7.083 1.00 0.00 O ATOM 724 OE2 GLU A 51 -6.102 -6.014 7.530 1.00 0.00 O ATOM 0 H GLU A 51 -9.020 -3.909 2.470 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.399 -3.377 4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.644 -5.194 5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.659 -6.049 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.736 -7.112 4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.923 -5.619 5.085 1.00 0.00 H new ATOM 731 N ALA A 52 -5.414 -3.864 3.454 1.00 0.00 N ATOM 732 CA ALA A 52 -4.255 -3.993 2.582 1.00 0.00 C ATOM 733 C ALA A 52 -3.184 -4.870 3.217 1.00 0.00 C ATOM 734 O ALA A 52 -3.042 -4.904 4.440 1.00 0.00 O ATOM 735 CB ALA A 52 -3.685 -2.621 2.256 1.00 0.00 C ATOM 0 H ALA A 52 -5.224 -3.398 4.341 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.580 -4.471 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.819 -2.732 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.444 -2.022 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.383 -2.124 3.178 1.00 0.00 H new ATOM 741 N SER A 53 -2.432 -5.575 2.377 1.00 0.00 N ATOM 742 CA SER A 53 -1.370 -6.451 2.852 1.00 0.00 C ATOM 743 C SER A 53 -0.190 -6.457 1.886 1.00 0.00 C ATOM 744 O SER A 53 -0.248 -7.071 0.821 1.00 0.00 O ATOM 745 CB SER A 53 -1.896 -7.874 3.038 1.00 0.00 C ATOM 746 OG SER A 53 -3.279 -7.872 3.347 1.00 0.00 O ATOM 0 H SER A 53 -2.540 -5.556 1.363 1.00 0.00 H new ATOM 0 HA SER A 53 -1.026 -6.069 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.725 -8.450 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.343 -8.368 3.837 1.00 0.00 H new ATOM 0 HG SER A 53 -3.590 -8.794 3.459 1.00 0.00 H new ATOM 752 N ILE A 54 0.881 -5.775 2.272 1.00 0.00 N ATOM 753 CA ILE A 54 2.085 -5.701 1.451 1.00 0.00 C ATOM 754 C ILE A 54 3.279 -6.277 2.210 1.00 0.00 C ATOM 755 O ILE A 54 3.169 -6.601 3.390 1.00 0.00 O ATOM 756 CB ILE A 54 2.399 -4.246 1.027 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.106 -3.497 0.681 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.360 -4.235 -0.154 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.331 -2.104 0.124 1.00 0.00 C ATOM 0 H ILE A 54 0.941 -5.263 3.152 1.00 0.00 H new ATOM 0 HA ILE A 54 1.902 -6.288 0.551 1.00 0.00 H new ATOM 0 HB ILE A 54 2.876 -3.735 1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.543 -4.082 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.490 -3.424 1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.572 -3.205 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.289 -4.731 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.909 -4.761 -0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.369 -1.640 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.866 -1.501 0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.920 -2.169 -0.791 1.00 0.00 H new ATOM 763 N GLY A 55 4.417 -6.403 1.535 1.00 0.00 N ATOM 764 CA GLY A 55 5.600 -6.933 2.171 1.00 0.00 C ATOM 765 C GLY A 55 6.798 -6.041 1.975 1.00 0.00 C ATOM 766 O GLY A 55 6.918 -5.353 0.964 1.00 0.00 O ATOM 0 H GLY A 55 4.537 -6.145 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.412 -7.058 3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.816 -7.922 1.767 1.00 0.00 H new ATOM 770 N THR A 56 7.684 -6.064 2.946 1.00 0.00 N ATOM 771 CA THR A 56 8.898 -5.261 2.888 1.00 0.00 C ATOM 772 C THR A 56 10.063 -5.994 3.535 1.00 0.00 C ATOM 773 O THR A 56 9.912 -6.577 4.609 1.00 0.00 O ATOM 774 CB THR A 56 8.727 -3.904 3.584 1.00 0.00 C ATOM 775 OG1 THR A 56 9.353 -3.910 4.864 1.00 0.00 O ATOM 776 CG2 THR A 56 7.283 -3.481 3.756 1.00 0.00 C ATOM 0 H THR A 56 7.591 -6.630 3.790 1.00 0.00 H new ATOM 0 HA THR A 56 9.104 -5.090 1.831 1.00 0.00 H new ATOM 0 HB THR A 56 9.205 -3.182 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.669 -3.853 5.563 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.244 -2.513 4.255 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.807 -3.404 2.778 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.756 -4.221 4.358 1.00 0.00 H new ATOM 781 N PRO A 57 11.257 -5.953 2.922 1.00 0.00 N ATOM 782 CA PRO A 57 12.434 -6.597 3.500 1.00 0.00 C ATOM 783 C PRO A 57 12.658 -6.153 4.945 1.00 0.00 C ATOM 784 O PRO A 57 13.383 -6.802 5.698 1.00 0.00 O ATOM 785 CB PRO A 57 13.590 -6.115 2.622 1.00 0.00 C ATOM 786 CG PRO A 57 12.965 -5.696 1.337 1.00 0.00 C ATOM 787 CD PRO A 57 11.562 -5.261 1.655 1.00 0.00 C ATOM 0 HA PRO A 57 12.334 -7.682 3.525 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.119 -5.285 3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.320 -6.909 2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.528 -4.881 0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.961 -6.519 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.494 -4.179 1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.866 -5.546 0.866 1.00 0.00 H new ATOM 795 N LEU A 58 12.036 -5.031 5.323 1.00 0.00 N ATOM 796 CA LEU A 58 12.180 -4.498 6.672 1.00 0.00 C ATOM 797 C LEU A 58 10.980 -4.858 7.548 1.00 0.00 C ATOM 798 O LEU A 58 11.019 -4.680 8.766 1.00 0.00 O ATOM 799 CB LEU A 58 12.362 -2.980 6.617 1.00 0.00 C ATOM 800 CG LEU A 58 13.772 -2.510 6.243 1.00 0.00 C ATOM 801 CD1 LEU A 58 13.845 -2.140 4.767 1.00 0.00 C ATOM 802 CD2 LEU A 58 14.187 -1.330 7.109 1.00 0.00 C ATOM 0 H LEU A 58 11.432 -4.480 4.713 1.00 0.00 H new ATOM 0 HA LEU A 58 13.064 -4.950 7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.655 -2.570 5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.102 -2.562 7.590 1.00 0.00 H new ATOM 0 HG LEU A 58 14.464 -3.332 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.855 -1.809 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.593 -3.010 4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.140 -1.335 4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.191 -1.009 6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.488 -0.506 6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.180 -1.628 8.158 1.00 0.00 H new ATOM 808 N GLY A 59 9.919 -5.368 6.927 1.00 0.00 N ATOM 809 CA GLY A 59 8.736 -5.745 7.676 1.00 0.00 C ATOM 810 C GLY A 59 7.475 -5.711 6.836 1.00 0.00 C ATOM 811 O GLY A 59 7.216 -4.737 6.135 1.00 0.00 O ATOM 0 H GLY A 59 9.859 -5.526 5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.871 -6.748 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.620 -5.072 8.526 1.00 0.00 H new ATOM 815 N ASN A 60 6.691 -6.779 6.911 1.00 0.00 N ATOM 816 CA ASN A 60 5.450 -6.874 6.156 1.00 0.00 C ATOM 817 C ASN A 60 4.505 -5.728 6.514 1.00 0.00 C ATOM 818 O ASN A 60 4.628 -5.120 7.578 1.00 0.00 O ATOM 819 CB ASN A 60 4.778 -8.220 6.426 1.00 0.00 C ATOM 820 CG ASN A 60 5.733 -9.386 6.260 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.908 -9.201 5.944 1.00 0.00 O ATOM 822 ND2 ASN A 60 5.232 -10.599 6.472 1.00 0.00 N ATOM 0 H ASN A 60 6.894 -7.594 7.490 1.00 0.00 H new ATOM 0 HA ASN A 60 5.685 -6.799 5.094 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.375 -8.225 7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.935 -8.345 5.747 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.828 -11.421 6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.252 -10.708 6.733 1.00 0.00 H new ATOM 827 N LEU A 61 3.568 -5.434 5.617 1.00 0.00 N ATOM 828 CA LEU A 61 2.608 -4.355 5.837 1.00 0.00 C ATOM 829 C LEU A 61 1.171 -4.863 5.789 1.00 0.00 C ATOM 830 O LEU A 61 0.803 -5.630 4.902 1.00 0.00 O ATOM 831 CB LEU A 61 2.769 -3.265 4.775 1.00 0.00 C ATOM 832 CG LEU A 61 4.067 -2.456 4.831 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.646 -2.292 3.434 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.819 -1.092 5.462 1.00 0.00 C ATOM 0 H LEU A 61 3.453 -5.927 4.732 1.00 0.00 H new ATOM 0 HA LEU A 61 2.812 -3.949 6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.697 -3.731 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.930 -2.574 4.863 1.00 0.00 H new ATOM 0 HG LEU A 61 4.785 -2.997 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.569 -1.715 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.856 -3.274 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.928 -1.770 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.753 -0.531 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.086 -0.545 4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.440 -1.223 6.476 1.00 0.00 H new ATOM 840 N LEU A 62 0.356 -4.394 6.730 1.00 0.00 N ATOM 841 CA LEU A 62 -1.051 -4.758 6.788 1.00 0.00 C ATOM 842 C LEU A 62 -1.869 -3.562 7.247 1.00 0.00 C ATOM 843 O LEU A 62 -1.380 -2.707 7.986 1.00 0.00 O ATOM 844 CB LEU A 62 -1.304 -5.927 7.744 1.00 0.00 C ATOM 845 CG LEU A 62 -0.414 -7.158 7.556 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.473 -7.651 6.116 1.00 0.00 C ATOM 847 CD2 LEU A 62 1.018 -6.853 7.971 1.00 0.00 C ATOM 0 H LEU A 62 0.653 -3.755 7.468 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.349 -5.067 5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.180 -5.567 8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.344 -6.237 7.639 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.789 -7.954 8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.167 -8.526 6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.500 -7.917 5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.128 -6.862 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.635 -7.741 7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.408 -6.039 7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.038 -6.560 9.021 1.00 0.00 H new ATOM 853 N ALA A 63 -3.113 -3.512 6.812 1.00 0.00 N ATOM 854 CA ALA A 63 -4.006 -2.425 7.184 1.00 0.00 C ATOM 855 C ALA A 63 -5.455 -2.818 6.950 1.00 0.00 C ATOM 856 O ALA A 63 -5.744 -3.706 6.150 1.00 0.00 O ATOM 857 CB ALA A 63 -3.663 -1.163 6.410 1.00 0.00 C ATOM 0 H ALA A 63 -3.532 -4.212 6.199 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.874 -2.222 8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.342 -0.361 6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.637 -0.868 6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.764 -1.353 5.341 1.00 0.00 H new ATOM 863 N SER A 64 -6.364 -2.154 7.652 1.00 0.00 N ATOM 864 CA SER A 64 -7.785 -2.440 7.515 1.00 0.00 C ATOM 865 C SER A 64 -8.626 -1.319 8.113 1.00 0.00 C ATOM 866 O SER A 64 -8.367 -0.862 9.226 1.00 0.00 O ATOM 867 CB SER A 64 -8.130 -3.768 8.191 1.00 0.00 C ATOM 868 OG SER A 64 -7.230 -4.052 9.249 1.00 0.00 O ATOM 0 H SER A 64 -6.143 -1.416 8.320 1.00 0.00 H new ATOM 0 HA SER A 64 -8.012 -2.513 6.451 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.149 -3.729 8.577 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.098 -4.573 7.456 1.00 0.00 H new ATOM 0 HG SER A 64 -6.620 -4.769 8.976 1.00 0.00 H new ATOM 874 N ALA A 65 -9.633 -0.876 7.367 1.00 0.00 N ATOM 875 CA ALA A 65 -10.505 0.196 7.831 1.00 0.00 C ATOM 876 C ALA A 65 -11.911 0.065 7.253 1.00 0.00 C ATOM 877 O ALA A 65 -12.093 -0.388 6.123 1.00 0.00 O ATOM 878 CB ALA A 65 -9.912 1.549 7.468 1.00 0.00 C ATOM 0 H ALA A 65 -9.864 -1.241 6.443 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.582 0.117 8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.572 2.342 7.820 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.934 1.656 7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.804 1.620 6.386 1.00 0.00 H new ATOM 884 N THR A 66 -12.900 0.476 8.040 1.00 0.00 N ATOM 885 CA THR A 66 -14.296 0.424 7.622 1.00 0.00 C ATOM 886 C THR A 66 -14.924 1.808 7.719 1.00 0.00 C ATOM 887 O THR A 66 -15.028 2.371 8.809 1.00 0.00 O ATOM 888 CB THR A 66 -15.078 -0.561 8.491 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.516 -1.858 8.414 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.540 -0.666 8.107 1.00 0.00 C ATOM 0 H THR A 66 -12.758 0.851 8.978 1.00 0.00 H new ATOM 0 HA THR A 66 -14.334 0.086 6.586 1.00 0.00 H new ATOM 0 HB THR A 66 -15.013 -0.166 9.505 1.00 0.00 H new ATOM 0 HG1 THR A 66 -15.031 -2.472 8.979 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.038 -1.381 8.762 1.00 0.00 H new ATOM 0 HG22 THR A 66 -17.014 0.310 8.209 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.621 -1.003 7.074 1.00 0.00 H new ATOM 895 N SER A 67 -15.336 2.361 6.583 1.00 0.00 N ATOM 896 CA SER A 67 -15.941 3.685 6.575 1.00 0.00 C ATOM 897 C SER A 67 -16.881 3.856 5.391 1.00 0.00 C ATOM 898 O SER A 67 -16.741 3.181 4.373 1.00 0.00 O ATOM 899 CB SER A 67 -14.856 4.760 6.529 1.00 0.00 C ATOM 900 OG SER A 67 -14.783 5.466 7.756 1.00 0.00 O ATOM 0 H SER A 67 -15.263 1.918 5.667 1.00 0.00 H new ATOM 0 HA SER A 67 -16.521 3.792 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.892 4.299 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.065 5.457 5.717 1.00 0.00 H new ATOM 0 HG SER A 67 -14.080 6.147 7.700 1.00 0.00 H new ATOM 906 N ASP A 68 -17.826 4.778 5.524 1.00 0.00 N ATOM 907 CA ASP A 68 -18.777 5.051 4.460 1.00 0.00 C ATOM 908 C ASP A 68 -18.106 5.797 3.309 1.00 0.00 C ATOM 909 O ASP A 68 -18.734 6.075 2.289 1.00 0.00 O ATOM 910 CB ASP A 68 -19.950 5.870 4.999 1.00 0.00 C ATOM 911 CG ASP A 68 -19.496 7.086 5.784 1.00 0.00 C ATOM 912 OD1 ASP A 68 -18.398 7.604 5.492 1.00 0.00 O ATOM 913 OD2 ASP A 68 -20.238 7.519 6.689 1.00 0.00 O ATOM 0 H ASP A 68 -17.952 5.349 6.360 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.149 4.098 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.577 6.191 4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.567 5.238 5.638 1.00 0.00 H new ATOM 918 N ASP A 69 -16.826 6.124 3.481 1.00 0.00 N ATOM 919 CA ASP A 69 -16.080 6.840 2.462 1.00 0.00 C ATOM 920 C ASP A 69 -14.991 5.956 1.857 1.00 0.00 C ATOM 921 O ASP A 69 -13.888 5.852 2.391 1.00 0.00 O ATOM 922 CB ASP A 69 -15.467 8.103 3.059 1.00 0.00 C ATOM 923 CG ASP A 69 -16.445 9.261 3.093 1.00 0.00 C ATOM 924 OD1 ASP A 69 -17.668 9.005 3.092 1.00 0.00 O ATOM 925 OD2 ASP A 69 -15.989 10.424 3.119 1.00 0.00 O ATOM 0 H ASP A 69 -16.289 5.902 4.319 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.768 7.119 1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.122 7.892 4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.591 8.388 2.477 1.00 0.00 H new ATOM 930 N MET A 70 -15.328 5.320 0.742 1.00 0.00 N ATOM 931 CA MET A 70 -14.424 4.425 0.024 1.00 0.00 C ATOM 932 C MET A 70 -12.978 4.922 0.006 1.00 0.00 C ATOM 933 O MET A 70 -12.095 4.339 0.647 1.00 0.00 O ATOM 934 CB MET A 70 -14.947 4.282 -1.414 1.00 0.00 C ATOM 935 CG MET A 70 -13.899 3.902 -2.453 1.00 0.00 C ATOM 936 SD MET A 70 -14.330 2.404 -3.352 1.00 0.00 S ATOM 937 CE MET A 70 -13.260 1.239 -2.524 1.00 0.00 C ATOM 0 H MET A 70 -16.245 5.411 0.305 1.00 0.00 H new ATOM 0 HA MET A 70 -14.409 3.466 0.542 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.734 3.528 -1.424 1.00 0.00 H new ATOM 0 HB3 MET A 70 -15.405 5.225 -1.712 1.00 0.00 H new ATOM 0 HG2 MET A 70 -13.778 4.723 -3.159 1.00 0.00 H new ATOM 0 HG3 MET A 70 -12.937 3.762 -1.960 1.00 0.00 H new ATOM 0 HE1 MET A 70 -13.736 0.259 -2.504 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.313 1.172 -3.059 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.077 1.575 -1.503 1.00 0.00 H new ATOM 947 N TYR A 71 -12.737 5.974 -0.758 1.00 0.00 N ATOM 948 CA TYR A 71 -11.394 6.517 -0.893 1.00 0.00 C ATOM 949 C TYR A 71 -10.851 7.031 0.425 1.00 0.00 C ATOM 950 O TYR A 71 -9.638 7.116 0.595 1.00 0.00 O ATOM 951 CB TYR A 71 -11.348 7.572 -1.994 1.00 0.00 C ATOM 952 CG TYR A 71 -11.084 6.952 -3.354 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.259 5.583 -3.550 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.652 7.715 -4.429 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.016 4.996 -4.767 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.406 7.133 -5.660 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.590 5.772 -5.825 1.00 0.00 C ATOM 958 OH TYR A 71 -10.349 5.192 -7.049 1.00 0.00 O ATOM 0 H TYR A 71 -13.451 6.469 -1.293 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.733 5.703 -1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.293 8.114 -2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.569 8.300 -1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.593 4.970 -2.726 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.506 8.778 -4.303 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.158 3.933 -4.895 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.072 7.739 -6.489 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.057 5.878 -7.684 1.00 0.00 H new ATOM 968 N LYS A 72 -11.734 7.310 1.376 1.00 0.00 N ATOM 969 CA LYS A 72 -11.293 7.741 2.692 1.00 0.00 C ATOM 970 C LYS A 72 -10.832 6.513 3.463 1.00 0.00 C ATOM 971 O LYS A 72 -9.838 6.549 4.184 1.00 0.00 O ATOM 972 CB LYS A 72 -12.400 8.430 3.446 1.00 0.00 C ATOM 973 CG LYS A 72 -11.949 9.071 4.748 1.00 0.00 C ATOM 974 CD LYS A 72 -11.412 10.476 4.522 1.00 0.00 C ATOM 975 CE LYS A 72 -10.187 10.750 5.379 1.00 0.00 C ATOM 976 NZ LYS A 72 -10.530 11.514 6.610 1.00 0.00 N ATOM 0 H LYS A 72 -12.746 7.246 1.262 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.479 8.457 2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.839 9.197 2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.186 7.706 3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.786 9.108 5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.177 8.455 5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.157 10.604 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.189 11.205 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.720 9.805 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.454 11.309 4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.668 11.680 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.953 12.427 6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.210 10.969 7.179 1.00 0.00 H new ATOM 990 N ALA A 73 -11.549 5.401 3.260 1.00 0.00 N ATOM 991 CA ALA A 73 -11.191 4.139 3.885 1.00 0.00 C ATOM 992 C ALA A 73 -9.816 3.760 3.377 1.00 0.00 C ATOM 993 O ALA A 73 -8.907 3.444 4.147 1.00 0.00 O ATOM 994 CB ALA A 73 -12.216 3.059 3.556 1.00 0.00 C ATOM 0 H ALA A 73 -12.378 5.358 2.667 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.180 4.239 4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.926 2.124 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.197 3.365 3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.259 2.915 2.476 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.663 3.880 2.060 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.386 3.642 1.413 1.00 0.00 C ATOM 1002 C ILE A 74 -7.423 4.710 1.907 1.00 0.00 C ATOM 1003 O ILE A 74 -6.245 4.449 2.174 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.548 3.690 -0.123 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.116 2.360 -0.614 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.233 4.001 -0.827 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.479 2.478 -1.250 1.00 0.00 C ATOM 0 H ILE A 74 -10.415 4.142 1.422 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.999 2.653 1.659 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.238 4.498 -0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.425 1.925 -1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.176 1.669 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.394 4.025 -1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.862 4.970 -0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.500 3.230 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.816 1.493 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.185 2.883 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.422 3.143 -2.112 1.00 0.00 H new ATOM 1011 N ASN A 75 -7.978 5.906 2.086 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.254 7.040 2.612 1.00 0.00 C ATOM 1013 C ASN A 75 -6.677 6.671 3.972 1.00 0.00 C ATOM 1014 O ASN A 75 -5.548 7.027 4.310 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.227 8.214 2.722 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.570 9.541 2.466 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.872 10.087 3.321 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.797 10.065 1.275 1.00 0.00 N ATOM 0 H ASN A 75 -8.953 6.108 1.865 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.429 7.322 1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.041 8.073 2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.671 8.220 3.717 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.386 10.965 1.027 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.384 9.570 0.603 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.470 5.922 4.733 1.00 0.00 N ATOM 1024 CA GLU A 76 -7.070 5.451 6.051 1.00 0.00 C ATOM 1025 C GLU A 76 -6.032 4.334 5.920 1.00 0.00 C ATOM 1026 O GLU A 76 -4.934 4.425 6.476 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.294 4.948 6.821 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.470 5.607 8.179 1.00 0.00 C ATOM 1029 CD GLU A 76 -9.760 5.196 8.863 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -10.772 5.012 8.156 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -9.756 5.059 10.104 1.00 0.00 O ATOM 0 H GLU A 76 -8.405 5.626 4.452 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.624 6.279 6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.188 5.124 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.209 3.870 6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.626 5.347 8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.456 6.690 8.058 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.381 3.284 5.168 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.475 2.160 4.952 1.00 0.00 C ATOM 1040 C VAL A 77 -4.088 2.652 4.593 1.00 0.00 C ATOM 1041 O VAL A 77 -3.107 2.311 5.251 1.00 0.00 O ATOM 1042 CB VAL A 77 -5.962 1.242 3.819 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.131 -0.031 3.766 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.430 0.922 3.992 1.00 0.00 C ATOM 0 H VAL A 77 -7.283 3.193 4.701 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.450 1.598 5.885 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.837 1.766 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.491 -0.667 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.086 0.224 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.219 -0.563 4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.759 0.271 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.583 0.418 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.008 1.846 3.973 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.014 3.466 3.546 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.739 4.009 3.112 1.00 0.00 C ATOM 1050 C GLU A 78 -2.030 4.673 4.282 1.00 0.00 C ATOM 1051 O GLU A 78 -0.803 4.657 4.375 1.00 0.00 O ATOM 1052 CB GLU A 78 -2.939 5.012 1.973 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.740 5.126 1.045 1.00 0.00 C ATOM 1054 CD GLU A 78 -1.529 3.879 0.210 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -2.491 3.097 0.056 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -0.401 3.683 -0.290 1.00 0.00 O ATOM 0 H GLU A 78 -4.816 3.760 2.988 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.121 3.191 2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.812 4.718 1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.154 5.993 2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.876 5.982 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.845 5.319 1.636 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.821 5.238 5.189 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.282 5.888 6.370 1.00 0.00 C ATOM 1065 C GLU A 79 -1.686 4.846 7.305 1.00 0.00 C ATOM 1066 O GLU A 79 -0.555 4.988 7.766 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.370 6.687 7.089 1.00 0.00 C ATOM 1068 CG GLU A 79 -2.903 8.049 7.573 1.00 0.00 C ATOM 1069 CD GLU A 79 -4.052 9.008 7.813 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -4.758 8.844 8.831 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -4.247 9.921 6.984 1.00 0.00 O ATOM 0 H GLU A 79 -3.839 5.257 5.125 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.498 6.580 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.217 6.820 6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.729 6.111 7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.337 7.928 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.224 8.479 6.837 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.447 3.784 7.567 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.970 2.712 8.432 1.00 0.00 C ATOM 1080 C LYS A 80 -0.785 2.005 7.779 1.00 0.00 C ATOM 1081 O LYS A 80 0.218 1.714 8.432 1.00 0.00 O ATOM 1082 CB LYS A 80 -3.094 1.712 8.727 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.489 1.660 10.195 1.00 0.00 C ATOM 1084 CD LYS A 80 -3.430 0.242 10.743 1.00 0.00 C ATOM 1085 CE LYS A 80 -4.652 -0.085 11.586 1.00 0.00 C ATOM 1086 NZ LYS A 80 -4.286 -0.791 12.844 1.00 0.00 N ATOM 0 H LYS A 80 -3.387 3.646 7.196 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.646 3.146 9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.969 1.975 8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.779 0.718 8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.825 2.302 10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.498 2.055 10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.358 -0.465 9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.529 0.121 11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.183 0.836 11.828 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.337 -0.705 11.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.147 -0.996 13.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.802 -1.682 12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.653 -0.189 13.408 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.904 1.754 6.477 1.00 0.00 N ATOM 1101 CA LEU A 81 0.160 1.104 5.723 1.00 0.00 C ATOM 1102 C LEU A 81 1.416 1.972 5.745 1.00 0.00 C ATOM 1103 O LEU A 81 2.522 1.478 5.983 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.297 0.836 4.276 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.356 -0.637 3.849 1.00 0.00 C ATOM 1106 CD1 LEU A 81 0.973 -1.069 3.255 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.741 -1.540 5.015 1.00 0.00 C ATOM 0 H LEU A 81 -1.728 1.992 5.924 1.00 0.00 H new ATOM 0 HA LEU A 81 0.393 0.146 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.287 1.272 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.377 1.363 3.600 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.129 -0.734 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.915 -2.116 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.198 -0.455 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.761 -0.946 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.773 -2.576 4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.003 -1.441 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.722 -1.250 5.391 1.00 0.00 H new ATOM 1113 N GLU A 82 1.240 3.275 5.523 1.00 0.00 N ATOM 1114 CA GLU A 82 2.363 4.202 5.547 1.00 0.00 C ATOM 1115 C GLU A 82 2.954 4.266 6.948 1.00 0.00 C ATOM 1116 O GLU A 82 4.157 4.083 7.137 1.00 0.00 O ATOM 1117 CB GLU A 82 1.913 5.590 5.101 1.00 0.00 C ATOM 1118 CG GLU A 82 3.058 6.514 4.733 1.00 0.00 C ATOM 1119 CD GLU A 82 2.684 7.499 3.643 1.00 0.00 C ATOM 1120 OE1 GLU A 82 2.461 7.059 2.495 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.614 8.711 3.936 1.00 0.00 O ATOM 0 H GLU A 82 0.337 3.706 5.326 1.00 0.00 H new ATOM 0 HA GLU A 82 3.128 3.846 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.250 5.488 4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.331 6.048 5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.377 7.062 5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.909 5.918 4.403 1.00 0.00 H new ATOM 1128 N ARG A 83 2.092 4.505 7.933 1.00 0.00 N ATOM 1129 CA ARG A 83 2.530 4.565 9.324 1.00 0.00 C ATOM 1130 C ARG A 83 3.325 3.310 9.660 1.00 0.00 C ATOM 1131 O ARG A 83 4.393 3.376 10.271 1.00 0.00 O ATOM 1132 CB ARG A 83 1.331 4.702 10.267 1.00 0.00 C ATOM 1133 CG ARG A 83 1.525 5.755 11.347 1.00 0.00 C ATOM 1134 CD ARG A 83 2.250 5.188 12.558 1.00 0.00 C ATOM 1135 NE ARG A 83 1.519 5.437 13.800 1.00 0.00 N ATOM 1136 CZ ARG A 83 0.499 4.693 14.222 1.00 0.00 C ATOM 1137 NH1 ARG A 83 0.082 3.655 13.508 1.00 0.00 N ATOM 1138 NH2 ARG A 83 -0.108 4.989 15.365 1.00 0.00 N ATOM 0 H ARG A 83 1.093 4.659 7.795 1.00 0.00 H new ATOM 0 HA ARG A 83 3.164 5.442 9.456 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.446 4.952 9.682 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.139 3.739 10.740 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.093 6.593 10.942 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.555 6.146 11.653 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.389 4.115 12.428 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.243 5.632 12.627 1.00 0.00 H new ATOM 0 HE ARG A 83 1.808 6.227 14.377 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.544 3.422 12.629 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.700 3.090 13.838 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.207 5.786 15.919 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.890 4.420 15.690 1.00 0.00 H new ATOM 1152 N GLN A 84 2.805 2.165 9.221 1.00 0.00 N ATOM 1153 CA GLN A 84 3.477 0.895 9.442 1.00 0.00 C ATOM 1154 C GLN A 84 4.819 0.905 8.721 1.00 0.00 C ATOM 1155 O GLN A 84 5.816 0.388 9.227 1.00 0.00 O ATOM 1156 CB GLN A 84 2.615 -0.266 8.940 1.00 0.00 C ATOM 1157 CG GLN A 84 2.038 -1.122 10.051 1.00 0.00 C ATOM 1158 CD GLN A 84 0.685 -0.632 10.525 1.00 0.00 C ATOM 1159 OE1 GLN A 84 0.593 0.180 11.445 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.376 -1.127 9.898 1.00 0.00 N ATOM 0 H GLN A 84 1.924 2.095 8.713 1.00 0.00 H new ATOM 0 HA GLN A 84 3.639 0.759 10.511 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.798 0.133 8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.216 -0.895 8.283 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.945 -2.150 9.701 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.731 -1.133 10.892 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.253 -1.798 9.140 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.314 -0.836 10.174 1.00 0.00 H new ATOM 1167 N LEU A 85 4.839 1.526 7.542 1.00 0.00 N ATOM 1168 CA LEU A 85 6.064 1.635 6.759 1.00 0.00 C ATOM 1169 C LEU A 85 7.101 2.422 7.545 1.00 0.00 C ATOM 1170 O LEU A 85 8.261 2.021 7.652 1.00 0.00 O ATOM 1171 CB LEU A 85 5.785 2.327 5.420 1.00 0.00 C ATOM 1172 CG LEU A 85 5.792 1.414 4.190 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.707 1.842 3.208 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.163 1.425 3.521 1.00 0.00 C ATOM 0 H LEU A 85 4.022 1.959 7.111 1.00 0.00 H new ATOM 0 HA LEU A 85 6.445 0.634 6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.814 2.818 5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.529 3.110 5.274 1.00 0.00 H new ATOM 0 HG LEU A 85 5.581 0.394 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.723 1.185 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.733 1.779 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.888 2.869 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.148 0.771 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.407 2.440 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.915 1.072 4.227 1.00 0.00 H new ATOM 1180 N ASN A 86 6.666 3.539 8.114 1.00 0.00 N ATOM 1181 CA ASN A 86 7.549 4.370 8.913 1.00 0.00 C ATOM 1182 C ASN A 86 8.007 3.596 10.139 1.00 0.00 C ATOM 1183 O ASN A 86 9.189 3.581 10.472 1.00 0.00 O ATOM 1184 CB ASN A 86 6.838 5.657 9.335 1.00 0.00 C ATOM 1185 CG ASN A 86 7.808 6.783 9.632 1.00 0.00 C ATOM 1186 OD1 ASN A 86 8.757 7.014 8.883 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.574 7.493 10.730 1.00 0.00 N ATOM 0 H ASN A 86 5.710 3.887 8.036 1.00 0.00 H new ATOM 0 HA ASN A 86 8.418 4.640 8.314 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.156 5.968 8.544 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.232 5.461 10.219 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.193 8.264 10.980 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.775 7.267 11.323 1.00 0.00 H new ATOM 1192 N LYS A 87 7.059 2.940 10.800 1.00 0.00 N ATOM 1193 CA LYS A 87 7.363 2.151 11.986 1.00 0.00 C ATOM 1194 C LYS A 87 8.353 1.042 11.670 1.00 0.00 C ATOM 1195 O LYS A 87 9.354 0.883 12.366 1.00 0.00 O ATOM 1196 CB LYS A 87 6.088 1.539 12.564 1.00 0.00 C ATOM 1197 CG LYS A 87 5.794 1.973 13.991 1.00 0.00 C ATOM 1198 CD LYS A 87 6.086 0.861 14.986 1.00 0.00 C ATOM 1199 CE LYS A 87 5.645 1.238 16.392 1.00 0.00 C ATOM 1200 NZ LYS A 87 4.413 0.510 16.802 1.00 0.00 N ATOM 0 H LYS A 87 6.074 2.940 10.534 1.00 0.00 H new ATOM 0 HA LYS A 87 7.810 2.822 12.720 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.245 1.812 11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.171 0.453 12.534 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.395 2.849 14.237 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.749 2.270 14.073 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.574 -0.050 14.675 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.154 0.642 14.985 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.448 1.018 17.096 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.465 2.312 16.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.146 0.795 17.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.639 0.740 16.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.592 -0.514 16.781 1.00 0.00 H new ATOM 1214 N LEU A 88 8.074 0.263 10.625 1.00 0.00 N ATOM 1215 CA LEU A 88 8.965 -0.826 10.263 1.00 0.00 C ATOM 1216 C LEU A 88 10.322 -0.275 9.860 1.00 0.00 C ATOM 1217 O LEU A 88 11.355 -0.673 10.398 1.00 0.00 O ATOM 1218 CB LEU A 88 8.368 -1.692 9.149 1.00 0.00 C ATOM 1219 CG LEU A 88 8.428 -1.130 7.728 1.00 0.00 C ATOM 1220 CD1 LEU A 88 9.741 -1.506 7.054 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.253 -1.644 6.914 1.00 0.00 C ATOM 0 H LEU A 88 7.254 0.366 10.028 1.00 0.00 H new ATOM 0 HA LEU A 88 9.094 -1.468 11.135 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.881 -2.654 9.155 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.324 -1.886 9.393 1.00 0.00 H new ATOM 0 HG LEU A 88 8.372 -0.043 7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.762 -1.096 6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.574 -1.100 7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.828 -2.591 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.305 -1.238 5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.289 -2.733 6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.320 -1.331 7.383 1.00 0.00 H new ATOM 1227 N GLN A 89 10.307 0.665 8.926 1.00 0.00 N ATOM 1228 CA GLN A 89 11.536 1.303 8.467 1.00 0.00 C ATOM 1229 C GLN A 89 12.264 1.936 9.649 1.00 0.00 C ATOM 1230 O GLN A 89 13.492 2.023 9.669 1.00 0.00 O ATOM 1231 CB GLN A 89 11.227 2.368 7.411 1.00 0.00 C ATOM 1232 CG GLN A 89 10.889 1.796 6.045 1.00 0.00 C ATOM 1233 CD GLN A 89 10.479 2.860 5.055 1.00 0.00 C ATOM 1234 OE1 GLN A 89 10.387 4.041 5.390 1.00 0.00 O ATOM 1235 NE2 GLN A 89 10.228 2.443 3.825 1.00 0.00 N ATOM 0 H GLN A 89 9.459 1.004 8.471 1.00 0.00 H new ATOM 0 HA GLN A 89 12.175 0.544 8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.392 2.977 7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.087 3.031 7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.753 1.257 5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.082 1.071 6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.318 1.454 3.594 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.945 3.111 3.108 1.00 0.00 H new ATOM 1242 N HIS A 90 11.485 2.364 10.641 1.00 0.00 N ATOM 1243 CA HIS A 90 12.026 2.978 11.848 1.00 0.00 C ATOM 1244 C HIS A 90 12.571 1.917 12.786 1.00 0.00 C ATOM 1245 O HIS A 90 13.610 2.099 13.420 1.00 0.00 O ATOM 1246 CB HIS A 90 10.930 3.755 12.576 1.00 0.00 C ATOM 1247 CG HIS A 90 10.716 5.145 12.056 1.00 0.00 C ATOM 1248 ND1 HIS A 90 10.319 6.194 12.857 1.00 0.00 N ATOM 1249 CD2 HIS A 90 10.851 5.660 10.808 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.217 7.291 12.129 1.00 0.00 C ATOM 1251 NE2 HIS A 90 10.535 6.994 10.883 1.00 0.00 N ATOM 0 H HIS A 90 10.467 2.295 10.630 1.00 0.00 H new ATOM 0 HA HIS A 90 12.830 3.653 11.554 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.994 3.201 12.498 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.181 3.810 13.635 1.00 0.00 H new ATOM 0 HD2 HIS A 90 11.151 5.121 9.921 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.923 8.265 12.491 1.00 0.00 H new ATOM 0 HE2 HIS A 90 10.544 7.650 10.102 1.00 0.00 H new ATOM 1260 N LYS A 91 11.841 0.813 12.884 1.00 0.00 N ATOM 1261 CA LYS A 91 12.219 -0.282 13.759 1.00 0.00 C ATOM 1262 C LYS A 91 13.655 -0.734 13.499 1.00 0.00 C ATOM 1263 O LYS A 91 14.368 -0.140 12.691 1.00 0.00 O ATOM 1264 CB LYS A 91 11.258 -1.460 13.582 1.00 0.00 C ATOM 1265 CG LYS A 91 10.744 -2.029 14.894 1.00 0.00 C ATOM 1266 CD LYS A 91 9.444 -1.365 15.317 1.00 0.00 C ATOM 1267 CE LYS A 91 9.695 -0.193 16.253 1.00 0.00 C ATOM 1268 NZ LYS A 91 9.734 1.104 15.523 1.00 0.00 N ATOM 0 H LYS A 91 10.978 0.655 12.363 1.00 0.00 H new ATOM 0 HA LYS A 91 12.159 0.078 14.786 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.410 -1.138 12.978 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.763 -2.250 13.026 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.588 -3.103 14.790 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.495 -1.889 15.672 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.907 -1.018 14.434 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.805 -2.096 15.812 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.912 -0.160 17.010 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.639 -0.343 16.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.629 1.592 15.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.664 0.929 14.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.937 1.698 15.828 1.00 0.00 H new ATOM 1282 N SER A 92 14.070 -1.791 14.189 1.00 0.00 N ATOM 1283 CA SER A 92 15.419 -2.324 14.033 1.00 0.00 C ATOM 1284 C SER A 92 15.382 -3.823 13.751 1.00 0.00 C ATOM 1285 O SER A 92 15.896 -4.286 12.733 1.00 0.00 O ATOM 1286 CB SER A 92 16.246 -2.050 15.290 1.00 0.00 C ATOM 1287 OG SER A 92 15.626 -2.601 16.439 1.00 0.00 O ATOM 0 H SER A 92 13.492 -2.295 14.861 1.00 0.00 H new ATOM 0 HA SER A 92 15.885 -1.824 13.184 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.243 -2.474 15.172 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.370 -0.975 15.420 1.00 0.00 H new ATOM 0 HG SER A 92 16.175 -2.414 17.229 1.00 0.00 H new ATOM 1293 N GLU A 93 14.775 -4.577 14.662 1.00 0.00 N ATOM 1294 CA GLU A 93 14.673 -6.023 14.514 1.00 0.00 C ATOM 1295 C GLU A 93 13.823 -6.389 13.298 1.00 0.00 C ATOM 1296 O GLU A 93 13.553 -5.546 12.442 1.00 0.00 O ATOM 1297 CB GLU A 93 14.077 -6.646 15.779 1.00 0.00 C ATOM 1298 CG GLU A 93 14.821 -7.883 16.257 1.00 0.00 C ATOM 1299 CD GLU A 93 16.182 -7.556 16.839 1.00 0.00 C ATOM 1300 OE1 GLU A 93 17.066 -7.117 16.074 1.00 0.00 O ATOM 1301 OE2 GLU A 93 16.363 -7.737 18.061 1.00 0.00 O ATOM 0 H GLU A 93 14.346 -4.209 15.511 1.00 0.00 H new ATOM 0 HA GLU A 93 15.677 -6.420 14.362 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.077 -5.902 16.575 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.036 -6.909 15.589 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.221 -8.395 17.010 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.943 -8.574 15.423 1.00 0.00 H new ATOM 1308 N SER A 94 13.404 -7.650 13.228 1.00 0.00 N ATOM 1309 CA SER A 94 12.586 -8.124 12.117 1.00 0.00 C ATOM 1310 C SER A 94 11.295 -8.759 12.625 1.00 0.00 C ATOM 1311 O SER A 94 11.258 -9.324 13.718 1.00 0.00 O ATOM 1312 CB SER A 94 13.369 -9.134 11.275 1.00 0.00 C ATOM 1313 OG SER A 94 14.397 -9.744 12.037 1.00 0.00 O ATOM 0 H SER A 94 13.618 -8.361 13.927 1.00 0.00 H new ATOM 0 HA SER A 94 12.328 -7.266 11.496 1.00 0.00 H new ATOM 0 HB2 SER A 94 12.691 -9.898 10.895 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.802 -8.633 10.409 1.00 0.00 H new ATOM 0 HG SER A 94 14.882 -10.386 11.478 1.00 0.00 H new ATOM 1319 N ARG A 95 10.239 -8.663 11.825 1.00 0.00 N ATOM 1320 CA ARG A 95 8.947 -9.230 12.195 1.00 0.00 C ATOM 1321 C ARG A 95 8.730 -10.578 11.514 1.00 0.00 C ATOM 1322 O ARG A 95 8.947 -10.719 10.310 1.00 0.00 O ATOM 1323 CB ARG A 95 7.816 -8.265 11.825 1.00 0.00 C ATOM 1324 CG ARG A 95 6.957 -7.855 13.011 1.00 0.00 C ATOM 1325 CD ARG A 95 5.510 -7.634 12.600 1.00 0.00 C ATOM 1326 NE ARG A 95 4.590 -7.802 13.722 1.00 0.00 N ATOM 1327 CZ ARG A 95 3.319 -7.409 13.704 1.00 0.00 C ATOM 1328 NH1 ARG A 95 2.814 -6.823 12.626 1.00 0.00 N ATOM 1329 NH2 ARG A 95 2.551 -7.602 14.768 1.00 0.00 N ATOM 0 H ARG A 95 10.252 -8.198 10.917 1.00 0.00 H new ATOM 0 HA ARG A 95 8.941 -9.385 13.274 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.245 -7.372 11.371 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.182 -8.732 11.071 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.004 -8.626 13.780 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.355 -6.941 13.451 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.399 -6.631 12.188 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.247 -8.335 11.808 1.00 0.00 H new ATOM 0 HE ARG A 95 4.943 -8.247 14.569 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.401 -6.672 11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.839 -6.524 12.618 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.935 -8.051 15.599 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.577 -7.301 14.755 1.00 0.00 H new ATOM 1343 N ARG A 96 8.302 -11.567 12.292 1.00 0.00 N ATOM 1344 CA ARG A 96 8.056 -12.903 11.765 1.00 0.00 C ATOM 1345 C ARG A 96 6.708 -12.971 11.056 1.00 0.00 C ATOM 1346 O ARG A 96 5.834 -12.135 11.281 1.00 0.00 O ATOM 1347 CB ARG A 96 8.103 -13.936 12.893 1.00 0.00 C ATOM 1348 CG ARG A 96 7.213 -13.586 14.076 1.00 0.00 C ATOM 1349 CD ARG A 96 7.067 -14.760 15.033 1.00 0.00 C ATOM 1350 NE ARG A 96 5.706 -15.290 15.044 1.00 0.00 N ATOM 1351 CZ ARG A 96 4.698 -14.732 15.710 1.00 0.00 C ATOM 1352 NH1 ARG A 96 4.893 -13.626 16.418 1.00 0.00 N ATOM 1353 NH2 ARG A 96 3.491 -15.279 15.668 1.00 0.00 N ATOM 0 H ARG A 96 8.118 -11.467 13.290 1.00 0.00 H new ATOM 0 HA ARG A 96 8.839 -13.128 11.041 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.803 -14.907 12.498 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.131 -14.037 13.240 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.633 -12.732 14.608 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.229 -13.285 13.716 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.761 -15.550 14.747 1.00 0.00 H new ATOM 0 HD3 ARG A 96 7.341 -14.444 16.039 1.00 0.00 H new ATOM 0 HE ARG A 96 5.517 -16.138 14.510 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.819 -13.200 16.453 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.117 -13.203 16.927 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.335 -16.128 15.125 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.719 -14.851 16.179 1.00 0.00 H new ATOM 1367 N ALA A 97 6.548 -13.972 10.195 1.00 0.00 N ATOM 1368 CA ALA A 97 5.307 -14.149 9.453 1.00 0.00 C ATOM 1369 C ALA A 97 5.268 -15.512 8.768 1.00 0.00 C ATOM 1370 O ALA A 97 5.815 -15.688 7.681 1.00 0.00 O ATOM 1371 CB ALA A 97 5.143 -13.038 8.427 1.00 0.00 C ATOM 0 H ALA A 97 7.263 -14.672 9.995 1.00 0.00 H new ATOM 0 HA ALA A 97 4.479 -14.101 10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.212 -13.183 7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.119 -12.074 8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.981 -13.060 7.730 1.00 0.00 H new ATOM 1377 N ASP A 98 4.616 -16.474 9.414 1.00 0.00 N ATOM 1378 CA ASP A 98 4.505 -17.822 8.869 1.00 0.00 C ATOM 1379 C ASP A 98 3.323 -17.926 7.910 1.00 0.00 C ATOM 1380 O ASP A 98 2.519 -17.000 7.797 1.00 0.00 O ATOM 1381 CB ASP A 98 4.354 -18.840 10.000 1.00 0.00 C ATOM 1382 CG ASP A 98 5.133 -20.115 9.738 1.00 0.00 C ATOM 1383 OD1 ASP A 98 5.074 -20.624 8.598 1.00 0.00 O ATOM 1384 OD2 ASP A 98 5.802 -20.604 10.672 1.00 0.00 O ATOM 0 H ASP A 98 4.157 -16.345 10.315 1.00 0.00 H new ATOM 0 HA ASP A 98 5.418 -18.040 8.314 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.695 -18.394 10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.299 -19.082 10.129 1.00 0.00 H new ATOM 1389 N GLU A 99 3.223 -19.059 7.223 1.00 0.00 N ATOM 1390 CA GLU A 99 2.139 -19.286 6.275 1.00 0.00 C ATOM 1391 C GLU A 99 1.130 -20.286 6.830 1.00 0.00 C ATOM 1392 O GLU A 99 1.495 -21.218 7.547 1.00 0.00 O ATOM 1393 CB GLU A 99 2.696 -19.791 4.942 1.00 0.00 C ATOM 1394 CG GLU A 99 1.982 -19.217 3.729 1.00 0.00 C ATOM 1395 CD GLU A 99 2.454 -19.838 2.428 1.00 0.00 C ATOM 1396 OE1 GLU A 99 3.659 -20.148 2.321 1.00 0.00 O ATOM 1397 OE2 GLU A 99 1.618 -20.015 1.517 1.00 0.00 O ATOM 0 H GLU A 99 3.880 -19.835 7.305 1.00 0.00 H new ATOM 0 HA GLU A 99 1.629 -18.337 6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 99 3.755 -19.541 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 99 2.623 -20.878 4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.909 -19.375 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.143 -18.140 3.693 1.00 0.00 H new ATOM 1404 N ARG A 100 -0.141 -20.085 6.495 1.00 0.00 N ATOM 1405 CA ARG A 100 -1.203 -20.969 6.961 1.00 0.00 C ATOM 1406 C ARG A 100 -1.112 -22.333 6.285 1.00 0.00 C ATOM 1407 O ARG A 100 -1.470 -23.353 6.873 1.00 0.00 O ATOM 1408 CB ARG A 100 -2.572 -20.343 6.691 1.00 0.00 C ATOM 1409 CG ARG A 100 -2.867 -20.139 5.214 1.00 0.00 C ATOM 1410 CD ARG A 100 -4.237 -19.517 5.000 1.00 0.00 C ATOM 1411 NE ARG A 100 -4.251 -18.095 5.331 1.00 0.00 N ATOM 1412 CZ ARG A 100 -5.361 -17.400 5.573 1.00 0.00 C ATOM 1413 NH1 ARG A 100 -6.547 -17.994 5.523 1.00 0.00 N ATOM 1414 NH2 ARG A 100 -5.284 -16.110 5.867 1.00 0.00 N ATOM 0 H ARG A 100 -0.460 -19.318 5.903 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.080 -21.108 8.035 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.345 -20.979 7.123 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.629 -19.381 7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.103 -19.498 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.816 -21.097 4.696 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.537 -19.650 3.961 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.972 -20.039 5.613 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.358 -17.605 5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.611 -18.987 5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.394 -17.458 5.709 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.375 -15.650 5.908 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.134 -15.578 6.052 1.00 0.00 H new ATOM 1428 N LEU A 101 -0.631 -22.343 5.046 1.00 0.00 N ATOM 1429 CA LEU A 101 -0.492 -23.582 4.289 1.00 0.00 C ATOM 1430 C LEU A 101 0.914 -23.713 3.713 1.00 0.00 C ATOM 1431 O LEU A 101 1.577 -22.714 3.434 1.00 0.00 O ATOM 1432 CB LEU A 101 -1.530 -23.635 3.164 1.00 0.00 C ATOM 1433 CG LEU A 101 -2.511 -24.808 3.244 1.00 0.00 C ATOM 1434 CD1 LEU A 101 -3.897 -24.322 3.638 1.00 0.00 C ATOM 1435 CD2 LEU A 101 -2.565 -25.552 1.917 1.00 0.00 C ATOM 0 H LEU A 101 -0.331 -21.507 4.545 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.663 -24.417 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.098 -22.705 3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.007 -23.683 2.209 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.158 -25.497 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.579 -25.171 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.849 -23.836 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.258 -23.611 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.267 -26.382 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.892 -24.871 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.574 -25.936 1.675 1.00 0.00 H new ATOM 1441 N LYS A 102 1.363 -24.952 3.538 1.00 0.00 N ATOM 1442 CA LYS A 102 2.690 -25.215 2.994 1.00 0.00 C ATOM 1443 C LYS A 102 2.596 -25.928 1.650 1.00 0.00 C ATOM 1444 O LYS A 102 3.481 -26.704 1.284 1.00 0.00 O ATOM 1445 CB LYS A 102 3.509 -26.055 3.975 1.00 0.00 C ATOM 1446 CG LYS A 102 2.873 -27.396 4.307 1.00 0.00 C ATOM 1447 CD LYS A 102 3.615 -28.547 3.645 1.00 0.00 C ATOM 1448 CE LYS A 102 4.538 -29.252 4.625 1.00 0.00 C ATOM 1449 NZ LYS A 102 5.094 -30.511 4.058 1.00 0.00 N ATOM 0 H LYS A 102 0.827 -25.790 3.765 1.00 0.00 H new ATOM 0 HA LYS A 102 3.189 -24.258 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.500 -26.226 3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 102 3.647 -25.490 4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.868 -27.539 5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.833 -27.397 3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.896 -29.261 3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.196 -28.170 2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.356 -28.585 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.991 -29.477 5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.718 -30.961 4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.315 -31.159 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.637 -30.294 3.198 1.00 0.00 H new ATOM 1463 N ASP A 103 1.520 -25.663 0.917 1.00 0.00 N ATOM 1464 CA ASP A 103 1.312 -26.281 -0.388 1.00 0.00 C ATOM 1465 C ASP A 103 0.770 -25.267 -1.390 1.00 0.00 C ATOM 1466 O ASP A 103 1.373 -25.031 -2.437 1.00 0.00 O ATOM 1467 CB ASP A 103 0.347 -27.461 -0.268 1.00 0.00 C ATOM 1468 CG ASP A 103 0.833 -28.506 0.718 1.00 0.00 C ATOM 1469 OD1 ASP A 103 1.562 -29.428 0.295 1.00 0.00 O ATOM 1470 OD2 ASP A 103 0.483 -28.403 1.913 1.00 0.00 O ATOM 0 H ASP A 103 0.778 -25.024 1.204 1.00 0.00 H new ATOM 0 HA ASP A 103 2.275 -26.642 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.631 -27.097 0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.217 -27.922 -1.247 1.00 0.00 H new ATOM 1475 N SER A 104 -0.370 -24.668 -1.061 1.00 0.00 N ATOM 1476 CA SER A 104 -0.993 -23.679 -1.933 1.00 0.00 C ATOM 1477 C SER A 104 -1.329 -24.285 -3.292 1.00 0.00 C ATOM 1478 O SER A 104 -0.519 -24.244 -4.218 1.00 0.00 O ATOM 1479 CB SER A 104 -0.068 -22.474 -2.115 1.00 0.00 C ATOM 1480 OG SER A 104 -0.634 -21.523 -2.999 1.00 0.00 O ATOM 0 H SER A 104 -0.881 -24.850 -0.197 1.00 0.00 H new ATOM 0 HA SER A 104 -1.920 -23.350 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.121 -22.008 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.895 -22.807 -2.502 1.00 0.00 H new ATOM 0 HG SER A 104 -0.023 -20.763 -3.096 1.00 0.00 H new ATOM 1486 N PHE A 105 -2.528 -24.846 -3.402 1.00 0.00 N ATOM 1487 CA PHE A 105 -2.971 -25.461 -4.648 1.00 0.00 C ATOM 1488 C PHE A 105 -2.991 -24.440 -5.781 1.00 0.00 C ATOM 1489 O PHE A 105 -3.029 -23.233 -5.541 1.00 0.00 O ATOM 1490 CB PHE A 105 -4.363 -26.072 -4.472 1.00 0.00 C ATOM 1491 CG PHE A 105 -4.796 -26.921 -5.633 1.00 0.00 C ATOM 1492 CD1 PHE A 105 -3.976 -27.929 -6.115 1.00 0.00 C ATOM 1493 CD2 PHE A 105 -6.022 -26.712 -6.242 1.00 0.00 C ATOM 1494 CE1 PHE A 105 -4.371 -28.713 -7.183 1.00 0.00 C ATOM 1495 CE2 PHE A 105 -6.423 -27.492 -7.310 1.00 0.00 C ATOM 1496 CZ PHE A 105 -5.596 -28.494 -7.781 1.00 0.00 C ATOM 0 H PHE A 105 -3.210 -24.888 -2.645 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.265 -26.250 -4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.373 -26.677 -3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -5.087 -25.270 -4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.017 -28.104 -5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.672 -25.930 -5.878 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.723 -29.495 -7.549 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.382 -27.319 -7.776 1.00 0.00 H new ATOM 0 HZ PHE A 105 -5.907 -29.105 -8.615 1.00 0.00 H new ATOM 1506 N GLU A 106 -2.964 -24.932 -7.015 1.00 0.00 N ATOM 1507 CA GLU A 106 -2.978 -24.063 -8.186 1.00 0.00 C ATOM 1508 C GLU A 106 -1.758 -23.146 -8.197 1.00 0.00 C ATOM 1509 O GLU A 106 -1.041 -23.039 -7.203 1.00 0.00 O ATOM 1510 CB GLU A 106 -4.263 -23.230 -8.211 1.00 0.00 C ATOM 1511 CG GLU A 106 -5.053 -23.372 -9.501 1.00 0.00 C ATOM 1512 CD GLU A 106 -6.408 -24.020 -9.289 1.00 0.00 C ATOM 1513 OE1 GLU A 106 -6.561 -24.764 -8.297 1.00 0.00 O ATOM 1514 OE2 GLU A 106 -7.315 -23.785 -10.115 1.00 0.00 O ATOM 0 H GLU A 106 -2.932 -25.929 -7.230 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.944 -24.690 -9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.895 -23.526 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.009 -22.180 -8.064 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.192 -22.387 -9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.478 -23.966 -10.211 1.00 0.00 H new ATOM 1521 N ASN A 107 -1.530 -22.487 -9.328 1.00 0.00 N ATOM 1522 CA ASN A 107 -0.398 -21.579 -9.468 1.00 0.00 C ATOM 1523 C ASN A 107 -0.721 -20.450 -10.441 1.00 0.00 C ATOM 1524 O ASN A 107 -0.515 -19.280 -10.127 1.00 99.99 O ATOM 1525 CB ASN A 107 0.837 -22.343 -9.949 1.00 0.00 C ATOM 1526 CG ASN A 107 1.553 -23.056 -8.818 1.00 0.00 C ATOM 1527 OD1 ASN A 107 2.362 -22.459 -8.106 1.00 0.00 O ATOM 1528 ND2 ASN A 107 1.258 -24.339 -8.646 1.00 0.00 N ATOM 0 H ASN A 107 -2.114 -22.565 -10.161 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.191 -21.143 -8.491 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.539 -23.071 -10.703 1.00 0.00 H new ATOM 0 HB3 ASN A 107 1.526 -21.649 -10.431 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.708 -24.870 -7.900 1.00 0.00 H new ATOM 0 HD22 ASN A 107 0.582 -24.793 -9.259 1.00 0.00 H new TER 1533 ASN A 107