USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 900 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 81 ASN :FLIP amide:sc= -0.992 F(o=-6.2!,f=-3.3) USER MOD Set 1.2: A 84 THR OG1 : rot 170:sc= -2.28! USER MOD Set 2.1: A 56 SER OG : rot 180:sc= -0.255 USER MOD Set 2.2: A 60 LYS NZ :NH3+ -144:sc= -0.154 (180deg=-1.2!) USER MOD Set 2.3: A 64 GLN : amide:sc= -2.92 K(o=-3.3,f=-4.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.0203 (180deg=-0.762) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 15:sc= 0.173 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00529) USER MOD Single : A 17 GLN :FLIP amide:sc= -9.29! C(o=-12!,f=-9.3!) USER MOD Single : A 18 LYS NZ :NH3+ -157:sc=-0.00135 (180deg=-0.601) USER MOD Single : A 19 LYS NZ :NH3+ -127:sc= -0.312 (180deg=-1.43) USER MOD Single : A 20 GLN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -136:sc= -2.26! (180deg=-2.93!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -17.6! C(o=-21!,f=-18!) USER MOD Single : A 46 MET CE :methyl 157:sc= -0.909 (180deg=-3.05!) USER MOD Single : A 47 TYR OH : rot 150:sc= -3.13! USER MOD Single : A 51 LYS NZ :NH3+ -141:sc= -0.292 (180deg=-0.508) USER MOD Single : A 52 CYS SG : rot 60:sc= -2.05! USER MOD Single : A 53 GLN : amide:sc= -22.1! C(o=-22!,f=-25!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.294 K(o=-0.29,f=-0.8) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -3.08 F(o=-3.8!,f=-3.1) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.905 USER MOD Single : A 76 ASN : amide:sc= -6.91! C(o=-6.9!,f=-14!) USER MOD Single : A 78 HIS : no HE2:sc= -21.6! C(o=-22!,f=-23!) USER MOD Single : A 80 SER OG : rot -154:sc= -4.15! USER MOD Single : A 83 SER OG : rot 1:sc= 0.326 USER MOD Single : A 87 LYS NZ :NH3+ 155:sc= -0.233 (180deg=-1.19) USER MOD Single : A 93 LYS NZ :NH3+ -142:sc= 1.66 (180deg=0.325) USER MOD Single : A 97 GLN :FLIP amide:sc= -17.7! C(o=-22!,f=-18!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0546) USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= -1.73! (180deg=-2.64!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -1.55! C(o=-1.6!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.981 -6.930 -11.308 1.00 0.00 N ATOM 2 CA MET A 1 -16.671 -7.781 -12.490 1.00 0.00 C ATOM 3 C MET A 1 -17.072 -9.228 -12.196 1.00 0.00 C ATOM 4 O MET A 1 -17.936 -9.490 -11.382 1.00 0.00 O ATOM 5 CB MET A 1 -15.171 -7.718 -12.785 1.00 0.00 C ATOM 6 CG MET A 1 -14.698 -6.265 -12.723 1.00 0.00 C ATOM 7 SD MET A 1 -15.636 -5.274 -13.912 1.00 0.00 S ATOM 8 CE MET A 1 -14.227 -4.407 -14.646 1.00 0.00 C ATOM 0 H1 MET A 1 -17.052 -5.936 -11.605 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.884 -7.232 -10.890 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.223 -7.027 -10.602 1.00 0.00 H new ATOM 0 HA MET A 1 -17.227 -7.418 -13.354 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.622 -8.321 -12.062 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.966 -8.136 -13.770 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.834 -5.870 -11.716 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.633 -6.208 -12.946 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.581 -3.728 -15.421 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.708 -3.838 -13.875 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.542 -5.132 -15.085 1.00 0.00 H new ATOM 20 N ALA A 2 -16.453 -10.170 -12.852 1.00 0.00 N ATOM 21 CA ALA A 2 -16.790 -11.561 -12.616 1.00 0.00 C ATOM 22 C ALA A 2 -15.510 -12.400 -12.607 1.00 0.00 C ATOM 23 O ALA A 2 -15.003 -12.786 -13.642 1.00 0.00 O ATOM 24 CB ALA A 2 -17.718 -12.057 -13.727 1.00 0.00 C ATOM 0 H ALA A 2 -15.722 -10.012 -13.546 1.00 0.00 H new ATOM 0 HA ALA A 2 -17.294 -11.655 -11.654 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.971 -13.102 -13.550 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.629 -11.459 -13.734 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.215 -11.964 -14.690 1.00 0.00 H new ATOM 30 N THR A 3 -14.984 -12.687 -11.448 1.00 0.00 N ATOM 31 CA THR A 3 -13.771 -13.479 -11.378 1.00 0.00 C ATOM 32 C THR A 3 -13.905 -14.522 -10.266 1.00 0.00 C ATOM 33 O THR A 3 -14.269 -15.656 -10.507 1.00 0.00 O ATOM 34 CB THR A 3 -12.580 -12.566 -11.081 1.00 0.00 C ATOM 35 OG1 THR A 3 -13.011 -11.472 -10.284 1.00 0.00 O ATOM 36 CG2 THR A 3 -11.994 -12.044 -12.394 1.00 0.00 C ATOM 0 H THR A 3 -15.363 -12.393 -10.548 1.00 0.00 H new ATOM 0 HA THR A 3 -13.612 -13.983 -12.331 1.00 0.00 H new ATOM 0 HB THR A 3 -11.816 -13.128 -10.544 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.249 -10.887 -10.091 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.146 -11.394 -12.181 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.663 -12.884 -13.004 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.756 -11.481 -12.934 1.00 0.00 H new ATOM 44 N SER A 4 -13.615 -14.148 -9.050 1.00 0.00 N ATOM 45 CA SER A 4 -13.723 -15.094 -7.956 1.00 0.00 C ATOM 46 C SER A 4 -14.399 -14.417 -6.761 1.00 0.00 C ATOM 47 O SER A 4 -15.539 -14.693 -6.443 1.00 0.00 O ATOM 48 CB SER A 4 -12.329 -15.573 -7.551 1.00 0.00 C ATOM 49 OG SER A 4 -12.448 -16.744 -6.754 1.00 0.00 O ATOM 0 H SER A 4 -13.306 -13.212 -8.786 1.00 0.00 H new ATOM 0 HA SER A 4 -14.319 -15.949 -8.275 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.732 -15.782 -8.438 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.811 -14.792 -6.995 1.00 0.00 H new ATOM 0 HG SER A 4 -11.556 -17.055 -6.494 1.00 0.00 H new ATOM 55 N SER A 5 -13.708 -13.531 -6.097 1.00 0.00 N ATOM 56 CA SER A 5 -14.300 -12.858 -4.957 1.00 0.00 C ATOM 57 C SER A 5 -13.813 -11.405 -4.909 1.00 0.00 C ATOM 58 O SER A 5 -14.330 -10.550 -5.600 1.00 0.00 O ATOM 59 CB SER A 5 -13.902 -13.584 -3.671 1.00 0.00 C ATOM 60 OG SER A 5 -14.769 -14.692 -3.469 1.00 0.00 O ATOM 0 H SER A 5 -12.750 -13.257 -6.315 1.00 0.00 H new ATOM 0 HA SER A 5 -15.386 -12.868 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.868 -13.924 -3.737 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.960 -12.903 -2.822 1.00 0.00 H new ATOM 0 HG SER A 5 -15.253 -14.885 -4.299 1.00 0.00 H new ATOM 66 N GLU A 6 -12.831 -11.113 -4.098 1.00 0.00 N ATOM 67 CA GLU A 6 -12.348 -9.744 -4.021 1.00 0.00 C ATOM 68 C GLU A 6 -11.657 -9.356 -5.322 1.00 0.00 C ATOM 69 O GLU A 6 -11.260 -10.191 -6.111 1.00 0.00 O ATOM 70 CB GLU A 6 -11.360 -9.570 -2.867 1.00 0.00 C ATOM 71 CG GLU A 6 -10.544 -10.848 -2.671 1.00 0.00 C ATOM 72 CD GLU A 6 -11.113 -11.644 -1.496 1.00 0.00 C ATOM 73 OE1 GLU A 6 -12.266 -11.426 -1.161 1.00 0.00 O ATOM 74 OE2 GLU A 6 -10.387 -12.459 -0.950 1.00 0.00 O ATOM 0 H GLU A 6 -12.354 -11.780 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.210 -9.100 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.693 -8.733 -3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.899 -9.330 -1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.570 -11.451 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.499 -10.599 -2.483 1.00 0.00 H new ATOM 81 N GLU A 7 -11.489 -8.085 -5.528 1.00 0.00 N ATOM 82 CA GLU A 7 -10.815 -7.618 -6.723 1.00 0.00 C ATOM 83 C GLU A 7 -9.588 -6.811 -6.308 1.00 0.00 C ATOM 84 O GLU A 7 -9.724 -5.756 -5.723 1.00 0.00 O ATOM 85 CB GLU A 7 -11.761 -6.729 -7.532 1.00 0.00 C ATOM 86 CG GLU A 7 -13.063 -7.483 -7.805 1.00 0.00 C ATOM 87 CD GLU A 7 -13.193 -7.750 -9.306 1.00 0.00 C ATOM 88 OE1 GLU A 7 -12.177 -8.007 -9.931 1.00 0.00 O ATOM 89 OE2 GLU A 7 -14.305 -7.694 -9.804 1.00 0.00 O ATOM 0 H GLU A 7 -11.803 -7.349 -4.895 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.513 -8.468 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.969 -5.809 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.291 -6.441 -8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.073 -8.424 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.914 -6.900 -7.454 1.00 0.00 H new ATOM 96 N VAL A 8 -8.391 -7.271 -6.565 1.00 0.00 N ATOM 97 CA VAL A 8 -7.240 -6.496 -6.132 1.00 0.00 C ATOM 98 C VAL A 8 -6.715 -5.691 -7.322 1.00 0.00 C ATOM 99 O VAL A 8 -6.903 -6.044 -8.470 1.00 0.00 O ATOM 100 CB VAL A 8 -6.137 -7.433 -5.557 1.00 0.00 C ATOM 101 CG1 VAL A 8 -6.380 -8.883 -5.986 1.00 0.00 C ATOM 102 CG2 VAL A 8 -4.740 -7.011 -6.040 1.00 0.00 C ATOM 0 H VAL A 8 -8.183 -8.143 -7.052 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.532 -5.811 -5.336 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.184 -7.353 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.598 -9.520 -5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.351 -9.214 -5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.365 -8.948 -7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.992 -7.684 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.702 -7.057 -7.128 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.534 -5.992 -5.713 1.00 0.00 H new ATOM 112 N LEU A 9 -6.097 -4.582 -7.038 1.00 0.00 N ATOM 113 CA LEU A 9 -5.612 -3.728 -8.104 1.00 0.00 C ATOM 114 C LEU A 9 -4.090 -3.877 -8.375 1.00 0.00 C ATOM 115 O LEU A 9 -3.669 -3.696 -9.500 1.00 0.00 O ATOM 116 CB LEU A 9 -5.956 -2.276 -7.768 1.00 0.00 C ATOM 117 CG LEU A 9 -5.206 -1.334 -8.707 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.480 -1.732 -10.159 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.688 0.099 -8.473 1.00 0.00 C ATOM 0 H LEU A 9 -5.914 -4.243 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.107 -4.039 -9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.030 -2.117 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.690 -2.060 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.136 -1.399 -8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.944 -1.059 -10.828 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.142 -2.755 -10.326 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.550 -1.666 -10.359 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.155 0.776 -9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.758 0.160 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.495 0.384 -7.439 1.00 0.00 H new ATOM 131 N LEU A 10 -3.239 -4.188 -7.412 1.00 0.00 N ATOM 132 CA LEU A 10 -1.824 -4.296 -7.766 1.00 0.00 C ATOM 133 C LEU A 10 -0.983 -4.792 -6.583 1.00 0.00 C ATOM 134 O LEU A 10 -1.312 -4.578 -5.434 1.00 0.00 O ATOM 135 CB LEU A 10 -1.309 -2.925 -8.206 1.00 0.00 C ATOM 136 CG LEU A 10 0.192 -3.008 -8.486 1.00 0.00 C ATOM 137 CD1 LEU A 10 0.430 -3.823 -9.759 1.00 0.00 C ATOM 138 CD2 LEU A 10 0.755 -1.598 -8.672 1.00 0.00 C ATOM 0 H LEU A 10 -3.476 -4.362 -6.435 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.732 -5.019 -8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.839 -2.596 -9.100 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.504 -2.185 -7.430 1.00 0.00 H new ATOM 0 HG LEU A 10 0.691 -3.491 -7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.500 -3.882 -9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.029 -4.828 -9.628 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.070 -3.340 -10.599 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.825 -1.657 -8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.255 -1.115 -9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.586 -1.016 -7.766 1.00 0.00 H new ATOM 150 N ILE A 11 0.116 -5.452 -6.873 1.00 0.00 N ATOM 151 CA ILE A 11 0.974 -5.947 -5.808 1.00 0.00 C ATOM 152 C ILE A 11 2.452 -5.777 -6.165 1.00 0.00 C ATOM 153 O ILE A 11 2.857 -5.922 -7.301 1.00 0.00 O ATOM 154 CB ILE A 11 0.695 -7.431 -5.571 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.823 -8.046 -4.713 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.579 -8.157 -6.917 1.00 0.00 C ATOM 157 CD1 ILE A 11 2.917 -8.661 -5.597 1.00 0.00 C ATOM 0 H ILE A 11 0.437 -5.658 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 11 0.759 -5.370 -4.908 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.247 -7.543 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.257 -7.278 -4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.409 -8.811 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.380 -9.215 -6.744 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.238 -7.724 -7.495 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.512 -8.049 -7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.698 -9.086 -4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.485 -9.445 -6.218 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.346 -7.888 -6.235 1.00 0.00 H new ATOM 169 N VAL A 12 3.260 -5.519 -5.176 1.00 0.00 N ATOM 170 CA VAL A 12 4.684 -5.395 -5.400 1.00 0.00 C ATOM 171 C VAL A 12 5.380 -6.398 -4.460 1.00 0.00 C ATOM 172 O VAL A 12 4.989 -6.563 -3.313 1.00 0.00 O ATOM 173 CB VAL A 12 5.122 -3.947 -5.148 1.00 0.00 C ATOM 174 CG1 VAL A 12 5.878 -3.832 -3.836 1.00 0.00 C ATOM 175 CG2 VAL A 12 6.027 -3.485 -6.291 1.00 0.00 C ATOM 0 H VAL A 12 2.965 -5.390 -4.208 1.00 0.00 H new ATOM 0 HA VAL A 12 4.958 -5.625 -6.430 1.00 0.00 H new ATOM 0 HB VAL A 12 4.232 -3.320 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.178 -2.796 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.235 -4.152 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.764 -4.466 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.340 -2.456 -6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.906 -4.128 -6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.481 -3.542 -7.233 1.00 0.00 H new ATOM 185 N LYS A 13 6.345 -7.122 -4.960 1.00 0.00 N ATOM 186 CA LYS A 13 6.979 -8.158 -4.152 1.00 0.00 C ATOM 187 C LYS A 13 7.641 -7.664 -2.881 1.00 0.00 C ATOM 188 O LYS A 13 7.129 -7.913 -1.844 1.00 0.00 O ATOM 189 CB LYS A 13 8.006 -8.905 -5.004 1.00 0.00 C ATOM 190 CG LYS A 13 8.645 -10.022 -4.177 1.00 0.00 C ATOM 191 CD LYS A 13 9.512 -10.896 -5.084 1.00 0.00 C ATOM 192 CE LYS A 13 8.616 -11.809 -5.923 1.00 0.00 C ATOM 193 NZ LYS A 13 8.798 -11.493 -7.368 1.00 0.00 N ATOM 0 H LYS A 13 6.713 -7.025 -5.906 1.00 0.00 H new ATOM 0 HA LYS A 13 6.172 -8.814 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.525 -9.323 -5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.773 -8.215 -5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.251 -9.596 -3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.871 -10.626 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.122 -10.270 -5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.197 -11.494 -4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.864 -12.853 -5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.573 -11.673 -5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.189 -12.114 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.540 -10.500 -7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.792 -11.644 -7.634 1.00 0.00 H new ATOM 207 N LYS A 14 8.819 -7.144 -2.876 1.00 0.00 N ATOM 208 CA LYS A 14 9.413 -6.868 -1.572 1.00 0.00 C ATOM 209 C LYS A 14 9.498 -5.388 -1.187 1.00 0.00 C ATOM 210 O LYS A 14 10.286 -4.637 -1.726 1.00 0.00 O ATOM 211 CB LYS A 14 10.827 -7.446 -1.557 1.00 0.00 C ATOM 212 CG LYS A 14 10.839 -8.747 -0.752 1.00 0.00 C ATOM 213 CD LYS A 14 10.286 -8.487 0.651 1.00 0.00 C ATOM 214 CE LYS A 14 11.301 -8.957 1.695 1.00 0.00 C ATOM 215 NZ LYS A 14 11.356 -10.446 1.699 1.00 0.00 N ATOM 0 H LYS A 14 9.379 -6.905 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 14 8.749 -7.329 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.165 -7.634 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.520 -6.728 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.238 -9.504 -1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.855 -9.137 -0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.080 -7.425 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.341 -9.014 0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.286 -8.547 1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.020 -8.590 2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.008 -10.767 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.406 -10.828 1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.693 -10.783 0.775 1.00 0.00 H new ATOM 229 N VAL A 15 8.637 -4.953 -0.298 1.00 0.00 N ATOM 230 CA VAL A 15 8.579 -3.561 0.091 1.00 0.00 C ATOM 231 C VAL A 15 9.170 -3.463 1.476 1.00 0.00 C ATOM 232 O VAL A 15 9.290 -4.446 2.167 1.00 0.00 O ATOM 233 CB VAL A 15 7.110 -3.113 0.153 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.999 -1.623 0.474 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.444 -3.365 -1.182 1.00 0.00 C ATOM 0 H VAL A 15 7.959 -5.550 0.175 1.00 0.00 H new ATOM 0 HA VAL A 15 9.119 -2.936 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 15 6.620 -3.685 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.948 -1.336 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.464 -1.423 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.506 -1.045 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.403 -3.046 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.961 -2.802 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.488 -4.429 -1.415 1.00 0.00 H new ATOM 245 N ARG A 16 9.497 -2.284 1.904 1.00 0.00 N ATOM 246 CA ARG A 16 10.052 -2.076 3.209 1.00 0.00 C ATOM 247 C ARG A 16 9.060 -1.259 4.000 1.00 0.00 C ATOM 248 O ARG A 16 8.446 -0.344 3.487 1.00 0.00 O ATOM 249 CB ARG A 16 11.317 -1.222 3.059 1.00 0.00 C ATOM 250 CG ARG A 16 11.789 -0.734 4.432 1.00 0.00 C ATOM 251 CD ARG A 16 12.581 -1.819 5.188 1.00 0.00 C ATOM 252 NE ARG A 16 12.948 -2.941 4.335 1.00 0.00 N ATOM 253 CZ ARG A 16 13.993 -3.673 4.640 1.00 0.00 C ATOM 254 NH1 ARG A 16 14.662 -3.448 5.741 1.00 0.00 N ATOM 255 NH2 ARG A 16 14.362 -4.648 3.854 1.00 0.00 N ATOM 0 H ARG A 16 9.386 -1.431 1.355 1.00 0.00 H new ATOM 0 HA ARG A 16 10.271 -3.028 3.693 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.104 -1.805 2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.115 -0.369 2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.414 0.151 4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.926 -0.434 5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.484 -1.377 5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.984 -2.183 6.024 1.00 0.00 H new ATOM 0 HE ARG A 16 12.396 -3.156 3.505 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.372 -2.699 6.370 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.473 -4.022 5.971 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.837 -4.842 3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.175 -5.216 4.093 1.00 0.00 H new ATOM 269 N GLN A 17 8.927 -1.532 5.244 1.00 0.00 N ATOM 270 CA GLN A 17 8.038 -0.737 6.026 1.00 0.00 C ATOM 271 C GLN A 17 8.661 -0.586 7.408 1.00 0.00 C ATOM 272 O GLN A 17 9.444 -1.410 7.834 1.00 0.00 O ATOM 273 CB GLN A 17 6.642 -1.379 6.067 1.00 0.00 C ATOM 274 CG GLN A 17 6.722 -2.807 6.586 1.00 0.00 C ATOM 275 CD GLN A 17 5.364 -3.210 7.166 1.00 0.00 C ATOM 276 OE1 GLN A 17 4.770 -2.416 8.013 1.00 0.00 O flip ATOM 277 NE2 GLN A 17 4.840 -4.257 6.843 1.00 0.00 N flip ATOM 0 H GLN A 17 9.408 -2.282 5.741 1.00 0.00 H new ATOM 0 HA GLN A 17 7.898 0.252 5.591 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.984 -0.791 6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.204 -1.374 5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.001 -3.484 5.779 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.495 -2.886 7.350 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.306 -4.877 6.180 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.934 -4.516 7.234 1.00 0.00 H new ATOM 286 N LYS A 18 8.422 0.529 8.030 1.00 0.00 N ATOM 287 CA LYS A 18 9.074 0.839 9.300 1.00 0.00 C ATOM 288 C LYS A 18 9.249 -0.413 10.183 1.00 0.00 C ATOM 289 O LYS A 18 10.067 -0.416 11.081 1.00 0.00 O ATOM 290 CB LYS A 18 8.231 1.869 10.056 1.00 0.00 C ATOM 291 CG LYS A 18 8.912 3.237 9.987 1.00 0.00 C ATOM 292 CD LYS A 18 8.493 3.953 8.702 1.00 0.00 C ATOM 293 CE LYS A 18 9.515 5.040 8.366 1.00 0.00 C ATOM 294 NZ LYS A 18 9.892 5.769 9.610 1.00 0.00 N ATOM 0 H LYS A 18 7.783 1.249 7.692 1.00 0.00 H new ATOM 0 HA LYS A 18 10.066 1.233 9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.233 1.926 9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.110 1.563 11.095 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.637 3.836 10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.995 3.117 10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.423 3.239 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.504 4.395 8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.399 4.594 7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.097 5.734 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.254 6.712 9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.056 5.868 10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.629 5.236 10.115 1.00 0.00 H new ATOM 308 N LYS A 19 8.529 -1.478 9.949 1.00 0.00 N ATOM 309 CA LYS A 19 8.717 -2.655 10.770 1.00 0.00 C ATOM 310 C LYS A 19 9.566 -3.728 10.042 1.00 0.00 C ATOM 311 O LYS A 19 10.475 -4.311 10.599 1.00 0.00 O ATOM 312 CB LYS A 19 7.330 -3.260 11.095 1.00 0.00 C ATOM 313 CG LYS A 19 6.644 -3.761 9.803 1.00 0.00 C ATOM 314 CD LYS A 19 5.173 -4.085 10.059 1.00 0.00 C ATOM 315 CE LYS A 19 5.048 -4.950 11.314 1.00 0.00 C ATOM 316 NZ LYS A 19 4.740 -4.083 12.487 1.00 0.00 N ATOM 0 H LYS A 19 7.823 -1.561 9.217 1.00 0.00 H new ATOM 0 HA LYS A 19 9.242 -2.359 11.678 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.442 -4.085 11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.704 -2.511 11.580 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.723 -3.001 9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.158 -4.649 9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.604 -3.164 10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.751 -4.608 9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.261 -5.692 11.180 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.975 -5.496 11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.426 -4.269 13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.798 -3.084 12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.780 -4.291 12.830 1.00 0.00 H new ATOM 330 N GLN A 20 9.164 -4.069 8.855 1.00 0.00 N ATOM 331 CA GLN A 20 9.765 -5.157 8.120 1.00 0.00 C ATOM 332 C GLN A 20 9.656 -4.932 6.620 1.00 0.00 C ATOM 333 O GLN A 20 8.917 -4.089 6.157 1.00 0.00 O ATOM 334 CB GLN A 20 9.063 -6.463 8.481 1.00 0.00 C ATOM 335 CG GLN A 20 10.045 -7.372 9.213 1.00 0.00 C ATOM 336 CD GLN A 20 10.222 -8.674 8.430 1.00 0.00 C ATOM 337 OE1 GLN A 20 11.323 -9.028 8.057 1.00 0.00 O ATOM 338 NE2 GLN A 20 9.176 -9.408 8.162 1.00 0.00 N ATOM 0 H GLN A 20 8.405 -3.601 8.360 1.00 0.00 H new ATOM 0 HA GLN A 20 10.820 -5.208 8.388 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.196 -6.262 9.110 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.696 -6.954 7.580 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.006 -6.870 9.325 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.678 -7.587 10.217 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.251 -9.112 8.475 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.283 -10.278 7.640 1.00 0.00 H new ATOM 347 N ASP A 21 10.343 -5.726 5.856 1.00 0.00 N ATOM 348 CA ASP A 21 10.231 -5.613 4.427 1.00 0.00 C ATOM 349 C ASP A 21 9.381 -6.834 4.119 1.00 0.00 C ATOM 350 O ASP A 21 9.566 -7.901 4.670 1.00 0.00 O ATOM 351 CB ASP A 21 11.605 -5.741 3.737 1.00 0.00 C ATOM 352 CG ASP A 21 11.621 -4.997 2.401 1.00 0.00 C ATOM 353 OD1 ASP A 21 11.775 -3.794 2.416 1.00 0.00 O ATOM 354 OD2 ASP A 21 11.477 -5.653 1.382 1.00 0.00 O ATOM 0 H ASP A 21 10.979 -6.451 6.188 1.00 0.00 H new ATOM 0 HA ASP A 21 9.827 -4.659 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.382 -5.341 4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.837 -6.793 3.574 1.00 0.00 H new ATOM 359 N GLY A 22 8.395 -6.649 3.307 1.00 0.00 N ATOM 360 CA GLY A 22 7.462 -7.707 3.012 1.00 0.00 C ATOM 361 C GLY A 22 6.740 -7.336 1.725 1.00 0.00 C ATOM 362 O GLY A 22 6.852 -6.216 1.265 1.00 0.00 O ATOM 0 H GLY A 22 8.206 -5.769 2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.984 -8.657 2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.751 -7.829 3.829 1.00 0.00 H new ATOM 366 N ALA A 23 6.041 -8.227 1.099 1.00 0.00 N ATOM 367 CA ALA A 23 5.409 -7.859 -0.138 1.00 0.00 C ATOM 368 C ALA A 23 4.115 -7.164 0.181 1.00 0.00 C ATOM 369 O ALA A 23 3.428 -7.460 1.137 1.00 0.00 O ATOM 370 CB ALA A 23 5.112 -9.122 -0.951 1.00 0.00 C ATOM 0 H ALA A 23 5.892 -9.188 1.407 1.00 0.00 H new ATOM 0 HA ALA A 23 6.062 -7.202 -0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.632 -8.846 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.044 -9.648 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.448 -9.773 -0.382 1.00 0.00 H new ATOM 376 N LEU A 24 3.845 -6.169 -0.596 1.00 0.00 N ATOM 377 CA LEU A 24 2.697 -5.350 -0.358 1.00 0.00 C ATOM 378 C LEU A 24 1.664 -5.632 -1.441 1.00 0.00 C ATOM 379 O LEU A 24 1.930 -5.527 -2.622 1.00 0.00 O ATOM 380 CB LEU A 24 3.156 -3.883 -0.426 1.00 0.00 C ATOM 381 CG LEU A 24 2.883 -3.172 0.885 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.984 -1.668 0.631 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.481 -3.508 1.388 1.00 0.00 C ATOM 0 H LEU A 24 4.404 -5.900 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 24 2.251 -5.556 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.221 -3.841 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.637 -3.372 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 24 3.605 -3.489 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.792 -1.129 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.984 -1.426 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.248 -1.375 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.299 -2.991 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.744 -3.190 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.398 -4.584 1.543 1.00 0.00 H new ATOM 395 N TYR A 25 0.480 -5.977 -1.036 1.00 0.00 N ATOM 396 CA TYR A 25 -0.576 -6.251 -1.979 1.00 0.00 C ATOM 397 C TYR A 25 -1.595 -5.136 -1.831 1.00 0.00 C ATOM 398 O TYR A 25 -1.944 -4.769 -0.726 1.00 0.00 O ATOM 399 CB TYR A 25 -1.254 -7.576 -1.616 1.00 0.00 C ATOM 400 CG TYR A 25 -0.639 -8.723 -2.380 1.00 0.00 C ATOM 401 CD1 TYR A 25 -1.158 -9.090 -3.625 1.00 0.00 C ATOM 402 CD2 TYR A 25 0.434 -9.433 -1.831 1.00 0.00 C ATOM 403 CE1 TYR A 25 -0.602 -10.169 -4.325 1.00 0.00 C ATOM 404 CE2 TYR A 25 0.992 -10.510 -2.530 1.00 0.00 C ATOM 405 CZ TYR A 25 0.474 -10.880 -3.777 1.00 0.00 C ATOM 406 OH TYR A 25 1.022 -11.943 -4.465 1.00 0.00 O ATOM 0 H TYR A 25 0.214 -6.077 -0.056 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.184 -6.312 -2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.160 -7.756 -0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.320 -7.516 -1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.987 -8.542 -4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.832 -9.150 -0.868 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.003 -10.453 -5.287 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.822 -11.056 -2.107 1.00 0.00 H new ATOM 0 HH TYR A 25 1.760 -12.324 -3.945 1.00 0.00 H new ATOM 416 N LEU A 26 -2.100 -4.588 -2.891 1.00 0.00 N ATOM 417 CA LEU A 26 -3.076 -3.543 -2.736 1.00 0.00 C ATOM 418 C LEU A 26 -4.369 -4.052 -3.377 1.00 0.00 C ATOM 419 O LEU A 26 -4.345 -4.663 -4.436 1.00 0.00 O ATOM 420 CB LEU A 26 -2.542 -2.267 -3.415 1.00 0.00 C ATOM 421 CG LEU A 26 -3.626 -1.571 -4.237 1.00 0.00 C ATOM 422 CD1 LEU A 26 -3.281 -0.088 -4.375 1.00 0.00 C ATOM 423 CD2 LEU A 26 -3.684 -2.202 -5.625 1.00 0.00 C ATOM 0 H LEU A 26 -1.864 -4.834 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.270 -3.294 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.164 -1.582 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.702 -2.522 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.590 -1.680 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.052 0.412 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.225 0.366 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.319 0.017 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.456 -1.710 -6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.719 -2.085 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.919 -3.262 -5.533 1.00 0.00 H new ATOM 435 N MET A 27 -5.492 -3.796 -2.762 1.00 0.00 N ATOM 436 CA MET A 27 -6.745 -4.247 -3.316 1.00 0.00 C ATOM 437 C MET A 27 -7.764 -3.127 -3.138 1.00 0.00 C ATOM 438 O MET A 27 -7.701 -2.381 -2.180 1.00 0.00 O ATOM 439 CB MET A 27 -7.201 -5.502 -2.571 1.00 0.00 C ATOM 440 CG MET A 27 -8.577 -5.926 -3.075 1.00 0.00 C ATOM 441 SD MET A 27 -8.513 -7.643 -3.642 1.00 0.00 S ATOM 442 CE MET A 27 -7.867 -8.362 -2.112 1.00 0.00 C ATOM 0 H MET A 27 -5.568 -3.282 -1.884 1.00 0.00 H new ATOM 0 HA MET A 27 -6.640 -4.489 -4.374 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.483 -6.308 -2.723 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.240 -5.307 -1.499 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.315 -5.822 -2.279 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.894 -5.275 -3.890 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.077 -9.075 -2.350 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.464 -7.571 -1.480 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.671 -8.874 -1.583 1.00 0.00 H new ATOM 452 N ALA A 28 -8.680 -2.988 -4.059 1.00 0.00 N ATOM 453 CA ALA A 28 -9.660 -1.918 -3.967 1.00 0.00 C ATOM 454 C ALA A 28 -10.083 -1.698 -2.511 1.00 0.00 C ATOM 455 O ALA A 28 -10.036 -0.596 -2.002 1.00 0.00 O ATOM 456 CB ALA A 28 -10.889 -2.313 -4.791 1.00 0.00 C ATOM 0 H ALA A 28 -8.775 -3.591 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.221 -0.995 -4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.636 -1.521 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.597 -2.462 -5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.310 -3.238 -4.396 1.00 0.00 H new ATOM 462 N GLU A 29 -10.586 -2.712 -1.876 1.00 0.00 N ATOM 463 CA GLU A 29 -11.101 -2.518 -0.536 1.00 0.00 C ATOM 464 C GLU A 29 -10.031 -2.653 0.552 1.00 0.00 C ATOM 465 O GLU A 29 -10.287 -2.299 1.684 1.00 0.00 O ATOM 466 CB GLU A 29 -12.208 -3.537 -0.271 1.00 0.00 C ATOM 467 CG GLU A 29 -12.663 -3.440 1.188 1.00 0.00 C ATOM 468 CD GLU A 29 -14.186 -3.567 1.257 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.686 -4.633 0.940 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.825 -2.596 1.625 1.00 0.00 O ATOM 0 H GLU A 29 -10.655 -3.661 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.479 -1.497 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.051 -3.354 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.847 -4.543 -0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.195 -4.227 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.347 -2.489 1.616 1.00 0.00 H new ATOM 477 N ARG A 30 -8.848 -3.140 0.288 1.00 0.00 N ATOM 478 CA ARG A 30 -7.904 -3.223 1.395 1.00 0.00 C ATOM 479 C ARG A 30 -6.468 -3.413 0.921 1.00 0.00 C ATOM 480 O ARG A 30 -6.199 -3.774 -0.208 1.00 0.00 O ATOM 481 CB ARG A 30 -8.274 -4.393 2.311 1.00 0.00 C ATOM 482 CG ARG A 30 -7.819 -5.716 1.704 1.00 0.00 C ATOM 483 CD ARG A 30 -9.038 -6.589 1.417 1.00 0.00 C ATOM 484 NE ARG A 30 -9.686 -6.117 0.205 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.620 -6.839 -0.362 1.00 0.00 C ATOM 486 NH1 ARG A 30 -10.943 -8.002 0.139 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.237 -6.400 -1.427 1.00 0.00 N ATOM 0 H ARG A 30 -8.518 -3.469 -0.619 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.964 -2.277 1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.811 -4.257 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.352 -4.411 2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.263 -5.534 0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.143 -6.229 2.388 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.736 -7.630 1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.734 -6.550 2.255 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.413 -5.223 -0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.468 -8.348 0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.671 -8.564 -0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.992 -5.491 -1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.964 -6.966 -1.865 1.00 0.00 H new ATOM 501 N ILE A 31 -5.549 -3.193 1.818 1.00 0.00 N ATOM 502 CA ILE A 31 -4.149 -3.374 1.503 1.00 0.00 C ATOM 503 C ILE A 31 -3.643 -4.592 2.282 1.00 0.00 C ATOM 504 O ILE A 31 -3.840 -4.701 3.475 1.00 0.00 O ATOM 505 CB ILE A 31 -3.363 -2.098 1.871 1.00 0.00 C ATOM 506 CG1 ILE A 31 -3.069 -1.334 0.581 1.00 0.00 C ATOM 507 CG2 ILE A 31 -2.032 -2.441 2.562 1.00 0.00 C ATOM 508 CD1 ILE A 31 -2.037 -0.240 0.852 1.00 0.00 C ATOM 0 H ILE A 31 -5.737 -2.888 2.773 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.007 -3.547 0.436 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.959 -1.500 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.696 -2.018 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.986 -0.893 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.502 -1.521 2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.230 -3.001 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.419 -3.044 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.831 0.302 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.427 0.451 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.116 -0.692 1.221 1.00 0.00 H new ATOM 520 N ALA A 32 -3.007 -5.512 1.614 1.00 0.00 N ATOM 521 CA ALA A 32 -2.519 -6.698 2.296 1.00 0.00 C ATOM 522 C ALA A 32 -0.999 -6.706 2.305 1.00 0.00 C ATOM 523 O ALA A 32 -0.357 -6.240 1.387 1.00 0.00 O ATOM 524 CB ALA A 32 -3.032 -7.947 1.580 1.00 0.00 C ATOM 0 H ALA A 32 -2.812 -5.475 0.614 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.881 -6.691 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.665 -8.836 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.122 -7.948 1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.675 -7.948 0.550 1.00 0.00 H new ATOM 530 N TRP A 33 -0.419 -7.234 3.343 1.00 0.00 N ATOM 531 CA TRP A 33 1.018 -7.280 3.424 1.00 0.00 C ATOM 532 C TRP A 33 1.443 -8.692 3.815 1.00 0.00 C ATOM 533 O TRP A 33 0.843 -9.312 4.666 1.00 0.00 O ATOM 534 CB TRP A 33 1.491 -6.308 4.488 1.00 0.00 C ATOM 535 CG TRP A 33 2.973 -6.358 4.558 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.792 -6.151 3.510 1.00 0.00 C ATOM 537 CD2 TRP A 33 3.838 -6.651 5.695 1.00 0.00 C ATOM 538 NE1 TRP A 33 5.092 -6.220 3.959 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.173 -6.549 5.268 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.609 -6.976 7.035 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.243 -6.753 6.115 1.00 0.00 C ATOM 542 CZ3 TRP A 33 4.691 -7.202 7.901 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.011 -7.087 7.436 1.00 0.00 C ATOM 0 H TRP A 33 -0.911 -7.637 4.141 1.00 0.00 H new ATOM 0 HA TRP A 33 1.453 -7.010 2.462 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.158 -5.298 4.250 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.059 -6.567 5.455 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.483 -5.963 2.492 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.905 -6.042 3.369 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.597 -7.053 7.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.254 -6.652 5.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.507 -7.466 8.932 1.00 0.00 H new ATOM 0 HH2 TRP A 33 6.840 -7.259 8.107 1.00 0.00 H new ATOM 554 N ALA A 34 2.469 -9.203 3.206 1.00 0.00 N ATOM 555 CA ALA A 34 2.915 -10.543 3.545 1.00 0.00 C ATOM 556 C ALA A 34 4.421 -10.696 3.294 1.00 0.00 C ATOM 557 O ALA A 34 4.955 -10.098 2.386 1.00 0.00 O ATOM 558 CB ALA A 34 2.156 -11.563 2.705 1.00 0.00 C ATOM 0 H ALA A 34 3.013 -8.732 2.483 1.00 0.00 H new ATOM 0 HA ALA A 34 2.718 -10.714 4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.492 -12.568 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.088 -11.476 2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.344 -11.376 1.648 1.00 0.00 H new ATOM 564 N PRO A 35 5.053 -11.527 4.088 1.00 0.00 N ATOM 565 CA PRO A 35 6.501 -11.750 3.873 1.00 0.00 C ATOM 566 C PRO A 35 6.715 -13.128 3.236 1.00 0.00 C ATOM 567 O PRO A 35 5.782 -13.760 2.782 1.00 0.00 O ATOM 568 CB PRO A 35 7.149 -11.699 5.261 1.00 0.00 C ATOM 569 CG PRO A 35 6.022 -11.491 6.291 1.00 0.00 C ATOM 570 CD PRO A 35 4.700 -11.394 5.520 1.00 0.00 C ATOM 0 HA PRO A 35 6.935 -11.003 3.209 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.690 -12.623 5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.874 -10.887 5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.992 -12.320 6.999 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.195 -10.584 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.011 -12.181 5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.204 -10.443 5.713 1.00 0.00 H new ATOM 578 N GLU A 36 7.931 -13.599 3.193 1.00 0.00 N ATOM 579 CA GLU A 36 8.183 -14.898 2.596 1.00 0.00 C ATOM 580 C GLU A 36 7.798 -16.006 3.583 1.00 0.00 C ATOM 581 O GLU A 36 8.563 -16.366 4.456 1.00 0.00 O ATOM 582 CB GLU A 36 9.668 -15.020 2.246 1.00 0.00 C ATOM 583 CG GLU A 36 10.512 -14.556 3.434 1.00 0.00 C ATOM 584 CD GLU A 36 11.904 -15.186 3.350 1.00 0.00 C ATOM 585 OE1 GLU A 36 12.332 -15.484 2.247 1.00 0.00 O ATOM 586 OE2 GLU A 36 12.518 -15.360 4.390 1.00 0.00 O ATOM 0 H GLU A 36 8.755 -13.119 3.555 1.00 0.00 H new ATOM 0 HA GLU A 36 7.585 -14.999 1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.910 -16.053 1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.896 -14.417 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.593 -13.469 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.029 -14.839 4.369 1.00 0.00 H new ATOM 593 N GLY A 37 6.619 -16.551 3.448 1.00 0.00 N ATOM 594 CA GLY A 37 6.198 -17.609 4.350 1.00 0.00 C ATOM 595 C GLY A 37 5.051 -18.399 3.714 1.00 0.00 C ATOM 596 O GLY A 37 4.419 -17.946 2.780 1.00 0.00 O ATOM 0 H GLY A 37 5.936 -16.291 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.036 -18.273 4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.877 -17.184 5.301 1.00 0.00 H new ATOM 600 N LYS A 38 4.774 -19.576 4.212 1.00 0.00 N ATOM 601 CA LYS A 38 3.693 -20.367 3.650 1.00 0.00 C ATOM 602 C LYS A 38 2.471 -19.477 3.454 1.00 0.00 C ATOM 603 O LYS A 38 1.788 -19.555 2.452 1.00 0.00 O ATOM 604 CB LYS A 38 3.349 -21.518 4.597 1.00 0.00 C ATOM 605 CG LYS A 38 2.346 -22.455 3.920 1.00 0.00 C ATOM 606 CD LYS A 38 1.532 -23.187 4.989 1.00 0.00 C ATOM 607 CE LYS A 38 2.449 -24.124 5.777 1.00 0.00 C ATOM 608 NZ LYS A 38 1.631 -25.179 6.439 1.00 0.00 N ATOM 0 H LYS A 38 5.268 -20.009 4.992 1.00 0.00 H new ATOM 0 HA LYS A 38 4.002 -20.779 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.253 -22.066 4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.929 -21.127 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.683 -21.886 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.871 -23.174 3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.065 -22.467 5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.728 -23.756 4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.180 -24.581 5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.008 -23.560 6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.254 -25.816 6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.950 -24.735 7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.117 -25.724 5.717 1.00 0.00 H new ATOM 622 N ASP A 39 2.201 -18.613 4.388 1.00 0.00 N ATOM 623 CA ASP A 39 1.080 -17.733 4.242 1.00 0.00 C ATOM 624 C ASP A 39 1.441 -16.700 3.187 1.00 0.00 C ATOM 625 O ASP A 39 2.586 -16.325 3.032 1.00 0.00 O ATOM 626 CB ASP A 39 0.789 -17.037 5.573 1.00 0.00 C ATOM 627 CG ASP A 39 1.943 -16.095 5.921 1.00 0.00 C ATOM 628 OD1 ASP A 39 2.168 -15.161 5.167 1.00 0.00 O ATOM 629 OD2 ASP A 39 2.583 -16.323 6.934 1.00 0.00 O ATOM 0 H ASP A 39 2.735 -18.499 5.250 1.00 0.00 H new ATOM 0 HA ASP A 39 0.192 -18.290 3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.144 -16.477 5.506 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.660 -17.778 6.362 1.00 0.00 H new ATOM 634 N ARG A 40 0.478 -16.230 2.472 1.00 0.00 N ATOM 635 CA ARG A 40 0.746 -15.233 1.454 1.00 0.00 C ATOM 636 C ARG A 40 0.334 -13.860 1.966 1.00 0.00 C ATOM 637 O ARG A 40 0.487 -12.860 1.294 1.00 0.00 O ATOM 638 CB ARG A 40 -0.067 -15.539 0.206 1.00 0.00 C ATOM 639 CG ARG A 40 0.685 -16.544 -0.671 1.00 0.00 C ATOM 640 CD ARG A 40 0.148 -17.951 -0.411 1.00 0.00 C ATOM 641 NE ARG A 40 -0.139 -18.607 -1.680 1.00 0.00 N ATOM 642 CZ ARG A 40 -0.837 -18.008 -2.612 1.00 0.00 C ATOM 643 NH1 ARG A 40 -1.470 -16.891 -2.362 1.00 0.00 N ATOM 644 NH2 ARG A 40 -0.953 -18.565 -3.787 1.00 0.00 N ATOM 0 H ARG A 40 -0.500 -16.507 2.560 1.00 0.00 H new ATOM 0 HA ARG A 40 1.810 -15.247 1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.040 -15.943 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.251 -14.621 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.564 -16.286 -1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.752 -16.505 -0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.878 -18.531 0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.756 -17.900 0.196 1.00 0.00 H new ATOM 0 HE ARG A 40 0.210 -19.551 -1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.424 -16.476 -1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.010 -16.435 -3.098 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.502 -19.460 -3.974 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.495 -18.105 -4.518 1.00 0.00 H new ATOM 658 N PHE A 41 -0.211 -13.814 3.137 1.00 0.00 N ATOM 659 CA PHE A 41 -0.650 -12.547 3.685 1.00 0.00 C ATOM 660 C PHE A 41 -0.380 -12.483 5.186 1.00 0.00 C ATOM 661 O PHE A 41 -0.745 -13.365 5.937 1.00 0.00 O ATOM 662 CB PHE A 41 -2.144 -12.383 3.433 1.00 0.00 C ATOM 663 CG PHE A 41 -2.340 -12.069 1.980 1.00 0.00 C ATOM 664 CD1 PHE A 41 -1.839 -10.872 1.464 1.00 0.00 C ATOM 665 CD2 PHE A 41 -2.996 -12.980 1.147 1.00 0.00 C ATOM 666 CE1 PHE A 41 -1.999 -10.583 0.103 1.00 0.00 C ATOM 667 CE2 PHE A 41 -3.152 -12.695 -0.212 1.00 0.00 C ATOM 668 CZ PHE A 41 -2.655 -11.497 -0.734 1.00 0.00 C ATOM 0 H PHE A 41 -0.367 -14.623 3.738 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.096 -11.744 3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.677 -13.295 3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.549 -11.583 4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.331 -10.173 2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.382 -13.903 1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.618 -9.657 -0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.656 -13.399 -0.858 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.777 -11.275 -1.784 1.00 0.00 H new ATOM 678 N THR A 42 0.238 -11.424 5.624 1.00 0.00 N ATOM 679 CA THR A 42 0.510 -11.269 7.033 1.00 0.00 C ATOM 680 C THR A 42 -0.485 -10.234 7.597 1.00 0.00 C ATOM 681 O THR A 42 -0.882 -10.294 8.743 1.00 0.00 O ATOM 682 CB THR A 42 1.985 -10.848 7.223 1.00 0.00 C ATOM 683 OG1 THR A 42 2.497 -11.457 8.399 1.00 0.00 O ATOM 684 CG2 THR A 42 2.128 -9.336 7.341 1.00 0.00 C ATOM 0 H THR A 42 0.563 -10.657 5.035 1.00 0.00 H new ATOM 0 HA THR A 42 0.375 -12.203 7.578 1.00 0.00 H new ATOM 0 HB THR A 42 2.545 -11.174 6.346 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.433 -11.194 8.523 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.179 -9.079 7.473 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.750 -8.863 6.435 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.557 -8.982 8.200 1.00 0.00 H new ATOM 692 N ILE A 43 -0.906 -9.301 6.774 1.00 0.00 N ATOM 693 CA ILE A 43 -1.875 -8.303 7.232 1.00 0.00 C ATOM 694 C ILE A 43 -2.761 -7.857 6.064 1.00 0.00 C ATOM 695 O ILE A 43 -2.401 -7.969 4.910 1.00 0.00 O ATOM 696 CB ILE A 43 -1.169 -7.082 7.894 1.00 0.00 C ATOM 697 CG1 ILE A 43 -1.808 -5.752 7.455 1.00 0.00 C ATOM 698 CG2 ILE A 43 0.311 -7.039 7.536 1.00 0.00 C ATOM 699 CD1 ILE A 43 -1.383 -5.423 6.017 1.00 0.00 C ATOM 0 H ILE A 43 -0.608 -9.203 5.804 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.504 -8.764 7.994 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.287 -7.206 8.971 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.894 -5.822 7.516 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.501 -4.951 8.127 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.776 -6.176 8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.796 -7.951 7.884 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.422 -6.959 6.455 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.837 -4.481 5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.298 -5.335 5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.712 -6.219 5.349 1.00 0.00 H new ATOM 711 N SER A 44 -3.919 -7.337 6.377 1.00 0.00 N ATOM 712 CA SER A 44 -4.832 -6.866 5.356 1.00 0.00 C ATOM 713 C SER A 44 -5.748 -5.816 5.994 1.00 0.00 C ATOM 714 O SER A 44 -6.530 -6.121 6.873 1.00 0.00 O ATOM 715 CB SER A 44 -5.668 -8.034 4.832 1.00 0.00 C ATOM 716 OG SER A 44 -5.708 -9.060 5.815 1.00 0.00 O ATOM 0 H SER A 44 -4.257 -7.227 7.333 1.00 0.00 H new ATOM 0 HA SER A 44 -4.281 -6.433 4.521 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.678 -7.698 4.599 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.239 -8.417 3.906 1.00 0.00 H new ATOM 0 HG SER A 44 -6.245 -9.810 5.483 1.00 0.00 H new ATOM 722 N HIS A 45 -5.650 -4.579 5.582 1.00 0.00 N ATOM 723 CA HIS A 45 -6.490 -3.553 6.186 1.00 0.00 C ATOM 724 C HIS A 45 -7.546 -3.077 5.198 1.00 0.00 C ATOM 725 O HIS A 45 -7.240 -2.590 4.126 1.00 0.00 O ATOM 726 CB HIS A 45 -5.672 -2.329 6.584 1.00 0.00 C ATOM 727 CG HIS A 45 -4.204 -2.581 6.428 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.426 -2.679 5.313 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -3.350 -2.731 7.508 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -2.100 -2.884 5.681 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -2.109 -2.908 7.017 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.018 -4.253 4.851 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.950 -4.004 7.066 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.964 -1.478 5.969 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.890 -2.064 7.619 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.628 -2.710 8.551 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.248 -2.999 5.028 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.278 -3.044 7.593 1.00 0.00 H new ATOM 739 N MET A 46 -8.783 -3.165 5.581 1.00 0.00 N ATOM 740 CA MET A 46 -9.839 -2.695 4.714 1.00 0.00 C ATOM 741 C MET A 46 -9.736 -1.173 4.611 1.00 0.00 C ATOM 742 O MET A 46 -9.885 -0.473 5.576 1.00 0.00 O ATOM 743 CB MET A 46 -11.202 -3.086 5.287 1.00 0.00 C ATOM 744 CG MET A 46 -11.944 -3.968 4.282 1.00 0.00 C ATOM 745 SD MET A 46 -13.085 -5.061 5.165 1.00 0.00 S ATOM 746 CE MET A 46 -14.014 -5.631 3.721 1.00 0.00 C ATOM 0 H MET A 46 -9.091 -3.551 6.473 1.00 0.00 H new ATOM 0 HA MET A 46 -9.738 -3.146 3.727 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.073 -3.619 6.229 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.787 -2.192 5.504 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.493 -3.348 3.573 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.232 -4.558 3.705 1.00 0.00 H new ATOM 0 HE1 MET A 46 -14.484 -6.589 3.945 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.783 -4.900 3.471 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.336 -5.748 2.875 1.00 0.00 H new ATOM 756 N TYR A 47 -9.407 -0.672 3.460 1.00 0.00 N ATOM 757 CA TYR A 47 -9.238 0.762 3.304 1.00 0.00 C ATOM 758 C TYR A 47 -10.333 1.539 4.095 1.00 0.00 C ATOM 759 O TYR A 47 -10.041 2.520 4.749 1.00 0.00 O ATOM 760 CB TYR A 47 -9.264 1.122 1.804 1.00 0.00 C ATOM 761 CG TYR A 47 -7.856 1.069 1.198 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.705 1.253 1.990 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.705 0.862 -0.185 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.435 1.232 1.400 1.00 0.00 C ATOM 765 CE2 TYR A 47 -6.436 0.835 -0.762 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.301 1.022 0.026 1.00 0.00 C ATOM 767 OH TYR A 47 -4.048 1.011 -0.553 1.00 0.00 O ATOM 0 H TYR A 47 -9.249 -1.219 2.614 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.273 1.057 3.716 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.918 0.431 1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.682 2.120 1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.802 1.411 3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.579 0.723 -0.805 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.556 1.379 2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.332 0.669 -1.824 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.051 0.412 -1.328 1.00 0.00 H new ATOM 777 N ALA A 48 -11.569 1.086 4.101 1.00 0.00 N ATOM 778 CA ALA A 48 -12.604 1.779 4.890 1.00 0.00 C ATOM 779 C ALA A 48 -12.296 1.561 6.385 1.00 0.00 C ATOM 780 O ALA A 48 -12.422 2.437 7.217 1.00 0.00 O ATOM 781 CB ALA A 48 -13.980 1.217 4.535 1.00 0.00 C ATOM 0 H ALA A 48 -11.891 0.265 3.588 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.605 2.846 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.744 1.730 5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.172 1.369 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.007 0.151 4.760 1.00 0.00 H new ATOM 787 N ASP A 49 -11.817 0.387 6.670 1.00 0.00 N ATOM 788 CA ASP A 49 -11.378 -0.024 8.003 1.00 0.00 C ATOM 789 C ASP A 49 -10.173 0.836 8.443 1.00 0.00 C ATOM 790 O ASP A 49 -9.691 0.733 9.553 1.00 0.00 O ATOM 791 CB ASP A 49 -10.980 -1.503 7.993 1.00 0.00 C ATOM 792 CG ASP A 49 -12.229 -2.366 7.805 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.216 -1.846 7.312 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.178 -3.533 8.160 1.00 0.00 O ATOM 0 H ASP A 49 -11.711 -0.347 5.970 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.199 0.118 8.706 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.269 -1.694 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.482 -1.763 8.927 1.00 0.00 H new ATOM 799 N ILE A 50 -9.716 1.701 7.578 1.00 0.00 N ATOM 800 CA ILE A 50 -8.613 2.566 7.927 1.00 0.00 C ATOM 801 C ILE A 50 -8.884 3.975 7.379 1.00 0.00 C ATOM 802 O ILE A 50 -9.286 4.118 6.243 1.00 0.00 O ATOM 803 CB ILE A 50 -7.341 2.002 7.310 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.619 1.598 5.857 1.00 0.00 C ATOM 805 CG2 ILE A 50 -6.906 0.784 8.118 1.00 0.00 C ATOM 806 CD1 ILE A 50 -6.518 0.663 5.335 1.00 0.00 C ATOM 0 H ILE A 50 -10.083 1.828 6.635 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.500 2.622 9.010 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.549 2.751 7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.587 1.101 5.791 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.674 2.488 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.995 0.368 7.688 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.718 1.080 9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.694 0.032 8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.734 0.388 4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.556 1.173 5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.482 -0.236 5.950 1.00 0.00 H new ATOM 818 N LYS A 51 -8.660 5.036 8.133 1.00 0.00 N ATOM 819 CA LYS A 51 -8.914 6.334 7.541 1.00 0.00 C ATOM 820 C LYS A 51 -7.838 7.346 7.902 1.00 0.00 C ATOM 821 O LYS A 51 -7.821 7.934 8.966 1.00 0.00 O ATOM 822 CB LYS A 51 -10.252 6.892 8.004 1.00 0.00 C ATOM 823 CG LYS A 51 -10.667 7.988 7.018 1.00 0.00 C ATOM 824 CD LYS A 51 -9.727 9.193 7.165 1.00 0.00 C ATOM 825 CE LYS A 51 -10.415 10.459 6.651 1.00 0.00 C ATOM 826 NZ LYS A 51 -11.392 10.942 7.668 1.00 0.00 N ATOM 0 H LYS A 51 -8.324 5.032 9.096 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.918 6.179 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.004 6.104 8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.169 7.297 9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.630 7.607 5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.697 8.291 7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.447 9.321 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.807 9.017 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.674 11.232 6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.925 10.252 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.247 11.291 7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.646 10.160 8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.965 11.713 8.221 1.00 0.00 H new ATOM 840 N CYS A 52 -6.995 7.589 6.963 1.00 0.00 N ATOM 841 CA CYS A 52 -5.958 8.575 7.088 1.00 0.00 C ATOM 842 C CYS A 52 -5.097 8.417 5.859 1.00 0.00 C ATOM 843 O CYS A 52 -4.729 7.311 5.524 1.00 0.00 O ATOM 844 CB CYS A 52 -5.148 8.335 8.332 1.00 0.00 C ATOM 845 SG CYS A 52 -5.622 9.533 9.605 1.00 0.00 S ATOM 0 H CYS A 52 -6.999 7.104 6.066 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.368 9.582 7.167 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.311 7.320 8.694 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.085 8.427 8.109 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.884 9.392 9.885 1.00 0.00 H new ATOM 851 N GLN A 53 -4.794 9.449 5.155 1.00 0.00 N ATOM 852 CA GLN A 53 -4.011 9.224 3.964 1.00 0.00 C ATOM 853 C GLN A 53 -3.021 10.347 3.712 1.00 0.00 C ATOM 854 O GLN A 53 -3.368 11.497 3.529 1.00 0.00 O ATOM 855 CB GLN A 53 -4.949 9.104 2.764 1.00 0.00 C ATOM 856 CG GLN A 53 -5.369 7.644 2.595 1.00 0.00 C ATOM 857 CD GLN A 53 -4.159 6.810 2.171 1.00 0.00 C ATOM 858 OE1 GLN A 53 -3.045 7.297 2.159 1.00 0.00 O ATOM 859 NE2 GLN A 53 -4.330 5.565 1.821 1.00 0.00 N ATOM 0 H GLN A 53 -5.053 10.415 5.356 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.443 8.304 4.106 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.827 9.732 2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.451 9.458 1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.778 7.262 3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.158 7.566 1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.264 5.156 1.831 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.529 5.000 1.537 1.00 0.00 H new ATOM 868 N LYS A 54 -1.775 9.979 3.671 1.00 0.00 N ATOM 869 CA LYS A 54 -0.722 10.920 3.404 1.00 0.00 C ATOM 870 C LYS A 54 0.190 10.260 2.369 1.00 0.00 C ATOM 871 O LYS A 54 0.849 9.280 2.652 1.00 0.00 O ATOM 872 CB LYS A 54 0.040 11.195 4.713 1.00 0.00 C ATOM 873 CG LYS A 54 1.531 11.427 4.440 1.00 0.00 C ATOM 874 CD LYS A 54 2.159 12.170 5.621 1.00 0.00 C ATOM 875 CE LYS A 54 3.310 11.340 6.194 1.00 0.00 C ATOM 876 NZ LYS A 54 4.441 12.241 6.555 1.00 0.00 N ATOM 0 H LYS A 54 -1.458 9.021 3.821 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.098 11.871 3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.383 12.069 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.082 10.352 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.036 10.473 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.658 12.005 3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.525 13.144 5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.409 12.351 6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.974 10.791 7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.639 10.601 5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.223 11.677 6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.767 12.746 5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.123 12.930 7.267 1.00 0.00 H new ATOM 890 N ILE A 55 0.233 10.774 1.174 1.00 0.00 N ATOM 891 CA ILE A 55 1.077 10.159 0.172 1.00 0.00 C ATOM 892 C ILE A 55 1.723 11.237 -0.683 1.00 0.00 C ATOM 893 O ILE A 55 1.109 11.801 -1.567 1.00 0.00 O ATOM 894 CB ILE A 55 0.235 9.246 -0.723 1.00 0.00 C ATOM 895 CG1 ILE A 55 -0.916 8.645 0.087 1.00 0.00 C ATOM 896 CG2 ILE A 55 1.111 8.118 -1.269 1.00 0.00 C ATOM 897 CD1 ILE A 55 -0.357 7.643 1.096 1.00 0.00 C ATOM 0 H ILE A 55 -0.288 11.595 0.867 1.00 0.00 H new ATOM 0 HA ILE A 55 1.850 9.572 0.668 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.170 9.829 -1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.461 9.434 0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.625 8.151 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.512 7.468 -1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.929 8.542 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.517 7.539 -0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.175 7.214 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.169 6.849 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.335 8.151 1.768 1.00 0.00 H new ATOM 909 N SER A 56 2.966 11.514 -0.439 1.00 0.00 N ATOM 910 CA SER A 56 3.646 12.512 -1.226 1.00 0.00 C ATOM 911 C SER A 56 4.844 11.894 -1.961 1.00 0.00 C ATOM 912 O SER A 56 5.864 12.543 -2.087 1.00 0.00 O ATOM 913 CB SER A 56 4.140 13.629 -0.308 1.00 0.00 C ATOM 914 OG SER A 56 4.747 13.057 0.844 1.00 0.00 O ATOM 0 H SER A 56 3.530 11.073 0.288 1.00 0.00 H new ATOM 0 HA SER A 56 2.950 12.913 -1.962 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.856 14.259 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.308 14.269 -0.015 1.00 0.00 H new ATOM 0 HG SER A 56 5.067 13.771 1.434 1.00 0.00 H new ATOM 920 N PRO A 57 4.717 10.672 -2.440 1.00 0.00 N ATOM 921 CA PRO A 57 5.911 10.151 -3.140 1.00 0.00 C ATOM 922 C PRO A 57 6.009 10.696 -4.560 1.00 0.00 C ATOM 923 O PRO A 57 6.158 9.960 -5.515 1.00 0.00 O ATOM 924 CB PRO A 57 5.801 8.635 -3.139 1.00 0.00 C ATOM 925 CG PRO A 57 4.545 8.262 -2.348 1.00 0.00 C ATOM 926 CD PRO A 57 3.838 9.569 -1.959 1.00 0.00 C ATOM 0 HA PRO A 57 6.820 10.471 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.738 8.255 -4.159 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.686 8.187 -2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.887 7.634 -2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.808 7.689 -1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.851 9.629 -2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.693 9.628 -0.880 1.00 0.00 H new ATOM 934 N GLU A 58 5.962 11.988 -4.697 1.00 0.00 N ATOM 935 CA GLU A 58 6.086 12.588 -6.002 1.00 0.00 C ATOM 936 C GLU A 58 7.469 13.239 -6.086 1.00 0.00 C ATOM 937 O GLU A 58 8.067 13.332 -7.139 1.00 0.00 O ATOM 938 CB GLU A 58 4.968 13.628 -6.190 1.00 0.00 C ATOM 939 CG GLU A 58 5.458 15.039 -5.838 1.00 0.00 C ATOM 940 CD GLU A 58 4.254 15.963 -5.644 1.00 0.00 C ATOM 941 OE1 GLU A 58 3.328 15.560 -4.960 1.00 0.00 O ATOM 942 OE2 GLU A 58 4.279 17.057 -6.182 1.00 0.00 O ATOM 0 H GLU A 58 5.840 12.648 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 58 5.988 11.844 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.619 13.608 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.117 13.368 -5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.059 15.011 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.099 15.422 -6.632 1.00 0.00 H new ATOM 949 N GLY A 59 8.005 13.624 -4.957 1.00 0.00 N ATOM 950 CA GLY A 59 9.341 14.184 -4.902 1.00 0.00 C ATOM 951 C GLY A 59 9.976 13.706 -3.585 1.00 0.00 C ATOM 952 O GLY A 59 10.806 14.376 -3.004 1.00 0.00 O ATOM 0 H GLY A 59 7.536 13.561 -4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.932 13.855 -5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.304 15.273 -4.940 1.00 0.00 H new ATOM 956 N LYS A 60 9.529 12.581 -3.076 1.00 0.00 N ATOM 957 CA LYS A 60 10.017 12.097 -1.788 1.00 0.00 C ATOM 958 C LYS A 60 11.314 11.301 -1.905 1.00 0.00 C ATOM 959 O LYS A 60 11.955 11.244 -2.936 1.00 0.00 O ATOM 960 CB LYS A 60 8.959 11.182 -1.166 1.00 0.00 C ATOM 961 CG LYS A 60 8.287 11.885 0.018 1.00 0.00 C ATOM 962 CD LYS A 60 7.851 13.295 -0.388 1.00 0.00 C ATOM 963 CE LYS A 60 8.418 14.308 0.607 1.00 0.00 C ATOM 964 NZ LYS A 60 8.056 13.898 1.993 1.00 0.00 N ATOM 0 H LYS A 60 8.834 11.982 -3.523 1.00 0.00 H new ATOM 0 HA LYS A 60 10.213 12.975 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.211 10.916 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.421 10.253 -0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.423 11.310 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.977 11.937 0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.203 13.521 -1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.763 13.359 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.502 14.367 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.023 15.302 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.865 14.744 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.206 13.299 1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.843 13.364 2.414 1.00 0.00 H new ATOM 978 N ALA A 61 11.679 10.680 -0.813 1.00 0.00 N ATOM 979 CA ALA A 61 12.881 9.881 -0.773 1.00 0.00 C ATOM 980 C ALA A 61 12.798 8.784 -1.834 1.00 0.00 C ATOM 981 O ALA A 61 13.578 8.762 -2.765 1.00 0.00 O ATOM 982 CB ALA A 61 13.029 9.246 0.610 1.00 0.00 C ATOM 0 H ALA A 61 11.160 10.711 0.065 1.00 0.00 H new ATOM 0 HA ALA A 61 13.745 10.515 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.937 8.643 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.090 10.029 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.166 8.612 0.813 1.00 0.00 H new ATOM 988 N LYS A 62 11.878 7.858 -1.709 1.00 0.00 N ATOM 989 CA LYS A 62 11.819 6.811 -2.712 1.00 0.00 C ATOM 990 C LYS A 62 10.476 6.080 -2.733 1.00 0.00 C ATOM 991 O LYS A 62 10.454 4.872 -2.665 1.00 0.00 O ATOM 992 CB LYS A 62 12.920 5.770 -2.467 1.00 0.00 C ATOM 993 CG LYS A 62 13.590 6.030 -1.109 1.00 0.00 C ATOM 994 CD LYS A 62 14.432 4.820 -0.709 1.00 0.00 C ATOM 995 CE LYS A 62 15.773 5.293 -0.148 1.00 0.00 C ATOM 996 NZ LYS A 62 15.729 5.251 1.341 1.00 0.00 N ATOM 0 H LYS A 62 11.187 7.802 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 62 11.957 7.309 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.495 4.766 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.662 5.818 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.218 6.919 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.832 6.224 -0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.903 4.226 0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.594 4.175 -1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.578 4.658 -0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.985 6.307 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.641 5.573 1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.970 5.874 1.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.545 4.277 1.656 1.00 0.00 H new ATOM 1010 N ILE A 63 9.358 6.765 -2.787 1.00 0.00 N ATOM 1011 CA ILE A 63 8.052 6.112 -2.814 1.00 0.00 C ATOM 1012 C ILE A 63 7.658 5.614 -1.420 1.00 0.00 C ATOM 1013 O ILE A 63 7.869 4.481 -1.034 1.00 0.00 O ATOM 1014 CB ILE A 63 7.839 5.081 -3.979 1.00 0.00 C ATOM 1015 CG1 ILE A 63 7.081 3.837 -3.505 1.00 0.00 C ATOM 1016 CG2 ILE A 63 9.139 4.642 -4.681 1.00 0.00 C ATOM 1017 CD1 ILE A 63 5.925 3.566 -4.464 1.00 0.00 C ATOM 0 H ILE A 63 9.318 7.784 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 63 7.329 6.882 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 63 7.243 5.623 -4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.751 2.978 -3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.704 3.988 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.903 3.930 -5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.632 5.513 -5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.803 4.171 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.379 2.682 -4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.253 4.424 -4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.316 3.398 -5.467 1.00 0.00 H new ATOM 1029 N GLN A 64 7.099 6.524 -0.664 1.00 0.00 N ATOM 1030 CA GLN A 64 6.676 6.226 0.691 1.00 0.00 C ATOM 1031 C GLN A 64 5.209 6.647 0.875 1.00 0.00 C ATOM 1032 O GLN A 64 4.824 7.746 0.535 1.00 0.00 O ATOM 1033 CB GLN A 64 7.569 6.988 1.682 1.00 0.00 C ATOM 1034 CG GLN A 64 7.007 8.386 1.951 1.00 0.00 C ATOM 1035 CD GLN A 64 8.132 9.327 2.398 1.00 0.00 C ATOM 1036 OE1 GLN A 64 7.946 10.527 2.446 1.00 0.00 O ATOM 1037 NE2 GLN A 64 9.299 8.838 2.728 1.00 0.00 N ATOM 0 H GLN A 64 6.923 7.484 -0.961 1.00 0.00 H new ATOM 0 HA GLN A 64 6.765 5.156 0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.639 6.433 2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.580 7.068 1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.532 8.776 1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.237 8.335 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.460 7.831 2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.049 9.463 3.024 1.00 0.00 H new ATOM 1046 N LEU A 65 4.393 5.803 1.437 1.00 0.00 N ATOM 1047 CA LEU A 65 3.007 6.191 1.640 1.00 0.00 C ATOM 1048 C LEU A 65 2.630 6.009 3.113 1.00 0.00 C ATOM 1049 O LEU A 65 3.307 5.323 3.857 1.00 0.00 O ATOM 1050 CB LEU A 65 2.064 5.398 0.702 1.00 0.00 C ATOM 1051 CG LEU A 65 1.946 3.911 1.082 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.325 3.258 1.098 1.00 0.00 C ATOM 1053 CD2 LEU A 65 1.278 3.749 2.451 1.00 0.00 C ATOM 0 H LEU A 65 4.641 4.867 1.758 1.00 0.00 H new ATOM 0 HA LEU A 65 2.892 7.245 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.073 5.852 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.429 5.477 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 65 1.326 3.418 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.227 2.207 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.777 3.338 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.958 3.763 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.206 2.690 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.873 4.258 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.279 4.184 2.422 1.00 0.00 H new ATOM 1065 N GLN A 66 1.563 6.634 3.545 1.00 0.00 N ATOM 1066 CA GLN A 66 1.168 6.518 4.941 1.00 0.00 C ATOM 1067 C GLN A 66 -0.355 6.640 5.085 1.00 0.00 C ATOM 1068 O GLN A 66 -0.970 7.564 4.589 1.00 0.00 O ATOM 1069 CB GLN A 66 1.839 7.632 5.746 1.00 0.00 C ATOM 1070 CG GLN A 66 2.455 7.045 7.016 1.00 0.00 C ATOM 1071 CD GLN A 66 3.137 8.158 7.815 1.00 0.00 C ATOM 1072 OE1 GLN A 66 2.488 8.891 8.533 1.00 0.00 O ATOM 1073 NE2 GLN A 66 4.429 8.314 7.720 1.00 0.00 N ATOM 0 H GLN A 66 0.958 7.219 2.969 1.00 0.00 H new ATOM 0 HA GLN A 66 1.478 5.542 5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.610 8.115 5.145 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.109 8.399 6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.683 6.569 7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.179 6.272 6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.974 7.698 7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.894 9.052 8.249 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.959 5.700 5.760 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.392 5.721 5.945 1.00 0.00 C ATOM 1084 C LEU A 67 -2.668 5.372 7.403 1.00 0.00 C ATOM 1085 O LEU A 67 -1.878 4.702 8.038 1.00 0.00 O ATOM 1086 CB LEU A 67 -3.018 4.684 5.005 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.491 4.477 5.341 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -5.308 4.427 4.049 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -4.652 3.159 6.090 1.00 0.00 C ATOM 0 H LEU A 67 -0.484 4.908 6.193 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.819 6.697 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.918 5.015 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.483 3.738 5.090 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.844 5.301 5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.361 4.279 4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.188 5.365 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.958 3.602 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.703 3.005 6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.301 2.339 5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.067 3.189 7.009 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.758 5.817 7.960 1.00 0.00 N ATOM 1102 CA VAL A 68 -3.995 5.488 9.349 1.00 0.00 C ATOM 1103 C VAL A 68 -5.349 4.856 9.551 1.00 0.00 C ATOM 1104 O VAL A 68 -6.255 4.951 8.751 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.860 6.693 10.276 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.595 6.204 11.695 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.675 7.529 9.854 1.00 0.00 C ATOM 0 H VAL A 68 -4.473 6.384 7.504 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.219 4.769 9.612 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.777 7.280 10.229 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.497 7.060 12.363 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.425 5.579 12.025 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.673 5.623 11.713 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.581 8.389 10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.768 6.928 9.909 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.820 7.875 8.831 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.427 4.163 10.623 1.00 0.00 N ATOM 1118 CA LEU A 69 -6.601 3.430 10.988 1.00 0.00 C ATOM 1119 C LEU A 69 -7.534 4.342 11.775 1.00 0.00 C ATOM 1120 O LEU A 69 -7.079 5.163 12.544 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.110 2.273 11.875 1.00 0.00 C ATOM 1122 CG LEU A 69 -4.999 1.437 11.161 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -5.460 0.020 10.896 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -4.576 2.021 9.815 1.00 0.00 C ATOM 0 H LEU A 69 -4.664 4.081 11.295 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.147 3.059 10.120 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.722 2.671 12.812 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.949 1.625 12.127 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.153 1.459 11.848 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.664 -0.535 10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.705 -0.466 11.841 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.343 0.038 10.258 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.803 1.393 9.373 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.437 2.059 9.148 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.186 3.028 9.962 1.00 0.00 H new ATOM 1136 N HIS A 70 -8.833 4.202 11.619 1.00 0.00 N ATOM 1137 CA HIS A 70 -9.734 5.042 12.395 1.00 0.00 C ATOM 1138 C HIS A 70 -9.218 5.006 13.834 1.00 0.00 C ATOM 1139 O HIS A 70 -9.298 5.958 14.584 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.156 4.479 12.336 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.102 2.977 12.361 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -11.069 2.043 11.356 1.00 0.00 N flip ATOM 1143 CD2 HIS A 70 -11.075 2.259 13.546 1.00 0.00 C flip ATOM 1144 CE1 HIS A 70 -11.022 0.765 11.905 1.00 0.00 C flip ATOM 1145 NE2 HIS A 70 -11.028 0.952 13.227 1.00 0.00 N flip ATOM 0 H HIS A 70 -9.282 3.540 10.986 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.763 6.060 12.007 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.739 4.847 13.180 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.656 4.820 11.430 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.089 2.673 14.544 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.988 -0.176 11.376 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.000 0.197 13.912 1.00 0.00 H new ATOM 1153 N ALA A 71 -8.638 3.887 14.174 1.00 0.00 N ATOM 1154 CA ALA A 71 -8.055 3.719 15.480 1.00 0.00 C ATOM 1155 C ALA A 71 -6.715 4.461 15.495 1.00 0.00 C ATOM 1156 O ALA A 71 -6.522 5.423 14.780 1.00 0.00 O ATOM 1157 CB ALA A 71 -7.828 2.232 15.761 1.00 0.00 C ATOM 0 H ALA A 71 -8.556 3.074 13.563 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.719 4.117 16.247 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.387 2.112 16.750 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.781 1.705 15.722 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.154 1.819 15.011 1.00 0.00 H new ATOM 1163 N GLY A 72 -5.809 4.057 16.332 1.00 0.00 N ATOM 1164 CA GLY A 72 -4.531 4.749 16.432 1.00 0.00 C ATOM 1165 C GLY A 72 -3.446 3.860 15.854 1.00 0.00 C ATOM 1166 O GLY A 72 -2.433 3.583 16.464 1.00 0.00 O ATOM 0 H GLY A 72 -5.916 3.259 16.958 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.571 5.695 15.892 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.310 4.985 17.473 1.00 0.00 H new ATOM 1170 N ASP A 73 -3.696 3.401 14.683 1.00 0.00 N ATOM 1171 CA ASP A 73 -2.762 2.523 14.037 1.00 0.00 C ATOM 1172 C ASP A 73 -2.483 3.070 12.658 1.00 0.00 C ATOM 1173 O ASP A 73 -3.380 3.386 11.910 1.00 0.00 O ATOM 1174 CB ASP A 73 -3.351 1.108 13.969 1.00 0.00 C ATOM 1175 CG ASP A 73 -2.515 0.224 13.034 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -2.217 0.658 11.934 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -2.185 -0.878 13.440 1.00 0.00 O ATOM 0 H ASP A 73 -4.536 3.612 14.144 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.828 2.466 14.595 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.377 0.670 14.967 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.380 1.153 13.613 1.00 0.00 H new ATOM 1182 N THR A 74 -1.240 3.203 12.325 1.00 0.00 N ATOM 1183 CA THR A 74 -0.906 3.739 11.038 1.00 0.00 C ATOM 1184 C THR A 74 -0.358 2.624 10.178 1.00 0.00 C ATOM 1185 O THR A 74 0.039 1.584 10.665 1.00 0.00 O ATOM 1186 CB THR A 74 0.150 4.835 11.195 1.00 0.00 C ATOM 1187 OG1 THR A 74 0.009 5.448 12.469 1.00 0.00 O ATOM 1188 CG2 THR A 74 -0.034 5.885 10.098 1.00 0.00 C ATOM 0 H THR A 74 -0.446 2.953 12.914 1.00 0.00 H new ATOM 0 HA THR A 74 -1.793 4.167 10.571 1.00 0.00 H new ATOM 0 HB THR A 74 1.144 4.396 11.111 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.686 6.149 12.571 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.719 6.665 10.211 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.076 5.414 9.121 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.028 6.325 10.179 1.00 0.00 H new ATOM 1196 N THR A 75 -0.302 2.835 8.905 1.00 0.00 N ATOM 1197 CA THR A 75 0.233 1.838 8.030 1.00 0.00 C ATOM 1198 C THR A 75 1.151 2.587 7.080 1.00 0.00 C ATOM 1199 O THR A 75 0.699 3.292 6.200 1.00 0.00 O ATOM 1200 CB THR A 75 -0.897 1.162 7.250 1.00 0.00 C ATOM 1201 OG1 THR A 75 -1.994 0.927 8.120 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.403 -0.168 6.679 1.00 0.00 C ATOM 0 H THR A 75 -0.619 3.688 8.444 1.00 0.00 H new ATOM 0 HA THR A 75 0.763 1.057 8.576 1.00 0.00 H new ATOM 0 HB THR A 75 -1.212 1.810 6.432 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.720 0.495 7.622 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.209 -0.648 6.124 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.439 0.013 6.011 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.087 -0.819 7.494 1.00 0.00 H new ATOM 1210 N ASN A 76 2.430 2.462 7.244 1.00 0.00 N ATOM 1211 CA ASN A 76 3.327 3.169 6.367 1.00 0.00 C ATOM 1212 C ASN A 76 3.997 2.151 5.475 1.00 0.00 C ATOM 1213 O ASN A 76 4.267 1.041 5.888 1.00 0.00 O ATOM 1214 CB ASN A 76 4.387 3.900 7.188 1.00 0.00 C ATOM 1215 CG ASN A 76 3.717 4.659 8.333 1.00 0.00 C ATOM 1216 OD1 ASN A 76 2.512 4.812 8.353 1.00 0.00 O ATOM 1217 ND2 ASN A 76 4.452 5.143 9.297 1.00 0.00 N ATOM 0 H ASN A 76 2.877 1.890 7.961 1.00 0.00 H new ATOM 0 HA ASN A 76 2.778 3.901 5.774 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.109 3.187 7.585 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.939 4.593 6.553 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.015 5.649 10.067 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.464 5.015 9.281 1.00 0.00 H new ATOM 1224 N PHE A 77 4.273 2.491 4.258 1.00 0.00 N ATOM 1225 CA PHE A 77 4.906 1.518 3.417 1.00 0.00 C ATOM 1226 C PHE A 77 5.944 2.178 2.521 1.00 0.00 C ATOM 1227 O PHE A 77 5.797 3.299 2.075 1.00 0.00 O ATOM 1228 CB PHE A 77 3.858 0.786 2.595 1.00 0.00 C ATOM 1229 CG PHE A 77 3.831 -0.636 3.072 1.00 0.00 C ATOM 1230 CD1 PHE A 77 5.025 -1.355 3.087 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.638 -1.238 3.502 1.00 0.00 C ATOM 1232 CE1 PHE A 77 5.041 -2.672 3.529 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.654 -2.560 3.943 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.861 -3.274 3.956 1.00 0.00 C ATOM 0 H PHE A 77 4.081 3.398 3.832 1.00 0.00 H new ATOM 0 HA PHE A 77 5.424 0.791 4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.880 1.251 2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.102 0.831 1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.940 -0.887 2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.713 -0.680 3.491 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.967 -3.227 3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.741 -3.033 4.273 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.875 -4.298 4.300 1.00 0.00 H new ATOM 1244 N HIS A 78 7.017 1.485 2.302 1.00 0.00 N ATOM 1245 CA HIS A 78 8.081 2.055 1.499 1.00 0.00 C ATOM 1246 C HIS A 78 8.758 0.985 0.689 1.00 0.00 C ATOM 1247 O HIS A 78 8.930 -0.120 1.115 1.00 0.00 O ATOM 1248 CB HIS A 78 9.152 2.725 2.366 1.00 0.00 C ATOM 1249 CG HIS A 78 10.045 3.540 1.453 1.00 0.00 C ATOM 1250 ND1 HIS A 78 11.023 2.949 0.675 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.089 4.883 1.128 1.00 0.00 C ATOM 1252 CE1 HIS A 78 11.592 3.918 -0.067 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.063 5.107 0.174 1.00 0.00 N ATOM 0 H HIS A 78 7.189 0.543 2.654 1.00 0.00 H new ATOM 0 HA HIS A 78 7.618 2.799 0.851 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.690 3.364 3.118 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.735 1.975 2.900 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.269 1.959 0.665 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.455 5.645 1.557 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.388 3.745 -0.776 1.00 0.00 H new ATOM 1261 N PHE A 79 9.163 1.338 -0.469 1.00 0.00 N ATOM 1262 CA PHE A 79 9.841 0.412 -1.332 1.00 0.00 C ATOM 1263 C PHE A 79 11.278 0.895 -1.465 1.00 0.00 C ATOM 1264 O PHE A 79 11.484 2.068 -1.625 1.00 0.00 O ATOM 1265 CB PHE A 79 9.150 0.497 -2.660 1.00 0.00 C ATOM 1266 CG PHE A 79 7.649 0.393 -2.467 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.916 1.491 -1.981 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.989 -0.788 -2.797 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.522 1.398 -1.832 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.596 -0.881 -2.642 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.867 0.210 -2.163 1.00 0.00 C ATOM 0 H PHE A 79 9.041 2.273 -0.859 1.00 0.00 H new ATOM 0 HA PHE A 79 9.830 -0.612 -0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 79 9.398 1.439 -3.150 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.498 -0.303 -3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.426 2.407 -1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.548 -1.632 -3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.959 2.242 -1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.087 -1.799 -2.894 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.796 0.135 -2.049 1.00 0.00 H new ATOM 1281 N SER A 80 12.293 0.066 -1.469 1.00 0.00 N ATOM 1282 CA SER A 80 13.614 0.633 -1.636 1.00 0.00 C ATOM 1283 C SER A 80 14.675 -0.466 -1.699 1.00 0.00 C ATOM 1284 O SER A 80 14.894 -1.191 -0.749 1.00 0.00 O ATOM 1285 CB SER A 80 13.924 1.548 -0.470 1.00 0.00 C ATOM 1286 OG SER A 80 15.064 2.336 -0.782 1.00 0.00 O ATOM 0 H SER A 80 12.243 -0.947 -1.365 1.00 0.00 H new ATOM 0 HA SER A 80 13.630 1.194 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.069 2.191 -0.260 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.109 0.960 0.429 1.00 0.00 H new ATOM 0 HG SER A 80 15.513 2.605 0.047 1.00 0.00 H new ATOM 1292 N ASN A 81 15.361 -0.558 -2.788 1.00 0.00 N ATOM 1293 CA ASN A 81 16.422 -1.537 -2.912 1.00 0.00 C ATOM 1294 C ASN A 81 17.458 -0.970 -3.878 1.00 0.00 C ATOM 1295 O ASN A 81 17.418 0.198 -4.211 1.00 0.00 O ATOM 1296 CB ASN A 81 15.873 -2.864 -3.443 1.00 0.00 C ATOM 1297 CG ASN A 81 15.012 -3.529 -2.366 1.00 0.00 C ATOM 1298 OD1 ASN A 81 13.809 -3.082 -2.132 1.00 0.00 O flip ATOM 1299 ND2 ASN A 81 15.441 -4.470 -1.728 1.00 0.00 N flip ATOM 0 H ASN A 81 15.217 0.026 -3.612 1.00 0.00 H new ATOM 0 HA ASN A 81 16.870 -1.734 -1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 81 15.281 -2.691 -4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 81 16.694 -3.523 -3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 81 16.381 -4.822 -1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 81 14.861 -4.908 -1.012 1.00 0.00 H new ATOM 1306 N GLU A 82 18.375 -1.766 -4.347 1.00 0.00 N ATOM 1307 CA GLU A 82 19.353 -1.243 -5.278 1.00 0.00 C ATOM 1308 C GLU A 82 18.614 -0.469 -6.372 1.00 0.00 C ATOM 1309 O GLU A 82 19.015 0.609 -6.766 1.00 0.00 O ATOM 1310 CB GLU A 82 20.139 -2.395 -5.909 1.00 0.00 C ATOM 1311 CG GLU A 82 20.522 -3.409 -4.829 1.00 0.00 C ATOM 1312 CD GLU A 82 19.833 -4.745 -5.114 1.00 0.00 C ATOM 1313 OE1 GLU A 82 19.450 -4.961 -6.252 1.00 0.00 O ATOM 1314 OE2 GLU A 82 19.702 -5.531 -4.190 1.00 0.00 O ATOM 0 H GLU A 82 18.473 -2.754 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 82 20.049 -0.587 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 82 19.539 -2.879 -6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 82 21.036 -2.012 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 82 21.604 -3.543 -4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.228 -3.039 -3.847 1.00 0.00 H new ATOM 1321 N SER A 83 17.522 -1.005 -6.850 1.00 0.00 N ATOM 1322 CA SER A 83 16.767 -0.305 -7.872 1.00 0.00 C ATOM 1323 C SER A 83 15.282 -0.664 -7.814 1.00 0.00 C ATOM 1324 O SER A 83 14.619 -0.698 -8.832 1.00 0.00 O ATOM 1325 CB SER A 83 17.285 -0.681 -9.240 1.00 0.00 C ATOM 1326 OG SER A 83 18.603 -0.177 -9.408 1.00 0.00 O ATOM 0 H SER A 83 17.136 -1.904 -6.560 1.00 0.00 H new ATOM 0 HA SER A 83 16.886 0.763 -7.691 1.00 0.00 H new ATOM 0 HB2 SER A 83 17.282 -1.765 -9.355 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.630 -0.277 -10.011 1.00 0.00 H new ATOM 0 HG SER A 83 18.881 0.290 -8.592 1.00 0.00 H new ATOM 1332 N THR A 84 14.738 -0.945 -6.671 1.00 0.00 N ATOM 1333 CA THR A 84 13.335 -1.296 -6.654 1.00 0.00 C ATOM 1334 C THR A 84 12.504 -0.033 -6.490 1.00 0.00 C ATOM 1335 O THR A 84 11.388 0.044 -6.953 1.00 0.00 O ATOM 1336 CB THR A 84 13.038 -2.249 -5.495 1.00 0.00 C ATOM 1337 OG1 THR A 84 13.508 -1.680 -4.281 1.00 0.00 O ATOM 1338 CG2 THR A 84 13.727 -3.592 -5.747 1.00 0.00 C ATOM 0 H THR A 84 15.212 -0.942 -5.768 1.00 0.00 H new ATOM 0 HA THR A 84 13.083 -1.791 -7.592 1.00 0.00 H new ATOM 0 HB THR A 84 11.963 -2.410 -5.420 1.00 0.00 H new ATOM 0 HG1 THR A 84 13.176 -2.205 -3.523 1.00 0.00 H new ATOM 0 HG21 THR A 84 13.515 -4.270 -4.921 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.354 -4.024 -6.676 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.804 -3.440 -5.824 1.00 0.00 H new ATOM 1346 N ALA A 85 13.016 0.944 -5.806 1.00 0.00 N ATOM 1347 CA ALA A 85 12.242 2.148 -5.582 1.00 0.00 C ATOM 1348 C ALA A 85 12.240 3.022 -6.824 1.00 0.00 C ATOM 1349 O ALA A 85 12.946 4.005 -6.934 1.00 0.00 O ATOM 1350 CB ALA A 85 12.817 2.927 -4.398 1.00 0.00 C ATOM 0 H ALA A 85 13.950 0.943 -5.395 1.00 0.00 H new ATOM 0 HA ALA A 85 11.215 1.861 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.229 3.831 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.782 2.307 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.851 3.200 -4.610 1.00 0.00 H new ATOM 1356 N VAL A 86 11.420 2.654 -7.741 1.00 0.00 N ATOM 1357 CA VAL A 86 11.294 3.407 -8.975 1.00 0.00 C ATOM 1358 C VAL A 86 9.871 3.266 -9.535 1.00 0.00 C ATOM 1359 O VAL A 86 8.916 3.131 -8.799 1.00 0.00 O ATOM 1360 CB VAL A 86 12.309 2.902 -10.005 1.00 0.00 C ATOM 1361 CG1 VAL A 86 12.716 4.054 -10.925 1.00 0.00 C ATOM 1362 CG2 VAL A 86 13.552 2.366 -9.288 1.00 0.00 C ATOM 0 H VAL A 86 10.816 1.835 -7.677 1.00 0.00 H new ATOM 0 HA VAL A 86 11.492 4.458 -8.766 1.00 0.00 H new ATOM 0 HB VAL A 86 11.857 2.103 -10.593 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.438 3.696 -11.659 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.835 4.437 -11.440 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.165 4.851 -10.333 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.271 2.008 -10.025 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.004 3.163 -8.698 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.267 1.545 -8.630 1.00 0.00 H new ATOM 1372 N LYS A 87 9.729 3.309 -10.836 1.00 0.00 N ATOM 1373 CA LYS A 87 8.410 3.195 -11.443 1.00 0.00 C ATOM 1374 C LYS A 87 7.662 1.984 -10.873 1.00 0.00 C ATOM 1375 O LYS A 87 6.448 1.967 -10.798 1.00 0.00 O ATOM 1376 CB LYS A 87 8.564 3.031 -12.956 1.00 0.00 C ATOM 1377 CG LYS A 87 7.291 3.509 -13.657 1.00 0.00 C ATOM 1378 CD LYS A 87 7.537 4.884 -14.282 1.00 0.00 C ATOM 1379 CE LYS A 87 8.536 4.753 -15.432 1.00 0.00 C ATOM 1380 NZ LYS A 87 8.106 3.655 -16.343 1.00 0.00 N ATOM 0 H LYS A 87 10.498 3.421 -11.497 1.00 0.00 H new ATOM 0 HA LYS A 87 7.839 4.097 -11.222 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.422 3.604 -13.308 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.756 1.986 -13.201 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.997 2.795 -14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.469 3.564 -12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.599 5.302 -14.648 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.921 5.573 -13.530 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.599 5.692 -15.982 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.532 4.546 -15.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.492 3.822 -17.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.458 2.746 -15.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.067 3.630 -16.391 1.00 0.00 H new ATOM 1394 N GLU A 88 8.375 0.981 -10.448 1.00 0.00 N ATOM 1395 CA GLU A 88 7.702 -0.182 -9.880 1.00 0.00 C ATOM 1396 C GLU A 88 6.840 0.319 -8.730 1.00 0.00 C ATOM 1397 O GLU A 88 5.622 0.390 -8.793 1.00 0.00 O ATOM 1398 CB GLU A 88 8.714 -1.212 -9.323 1.00 0.00 C ATOM 1399 CG GLU A 88 10.128 -0.947 -9.847 1.00 0.00 C ATOM 1400 CD GLU A 88 10.900 -2.266 -9.921 1.00 0.00 C ATOM 1401 OE1 GLU A 88 10.584 -3.067 -10.785 1.00 0.00 O ATOM 1402 OE2 GLU A 88 11.794 -2.453 -9.112 1.00 0.00 O ATOM 0 H GLU A 88 9.393 0.930 -10.476 1.00 0.00 H new ATOM 0 HA GLU A 88 7.116 -0.674 -10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.715 -1.171 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.403 -2.218 -9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.081 -0.485 -10.833 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.645 -0.247 -9.191 1.00 0.00 H new ATOM 1409 N ARG A 89 7.495 0.684 -7.685 1.00 0.00 N ATOM 1410 CA ARG A 89 6.809 1.198 -6.527 1.00 0.00 C ATOM 1411 C ARG A 89 5.979 2.391 -6.988 1.00 0.00 C ATOM 1412 O ARG A 89 4.856 2.590 -6.566 1.00 0.00 O ATOM 1413 CB ARG A 89 7.839 1.617 -5.469 1.00 0.00 C ATOM 1414 CG ARG A 89 9.095 0.735 -5.587 1.00 0.00 C ATOM 1415 CD ARG A 89 8.684 -0.746 -5.614 1.00 0.00 C ATOM 1416 NE ARG A 89 9.707 -1.529 -6.279 1.00 0.00 N ATOM 1417 CZ ARG A 89 9.721 -2.830 -6.160 1.00 0.00 C ATOM 1418 NH1 ARG A 89 8.810 -3.436 -5.445 1.00 0.00 N ATOM 1419 NH2 ARG A 89 10.646 -3.529 -6.759 1.00 0.00 N ATOM 0 H ARG A 89 8.510 0.640 -7.597 1.00 0.00 H new ATOM 0 HA ARG A 89 6.160 0.446 -6.078 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.106 2.665 -5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.409 1.522 -4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.645 0.987 -6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.763 0.922 -4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.538 -1.111 -4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.732 -0.859 -6.133 1.00 0.00 H new ATOM 0 HE ARG A 89 10.418 -1.063 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.084 -2.893 -4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.825 -4.452 -5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.357 -3.060 -7.319 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.658 -4.545 -6.667 1.00 0.00 H new ATOM 1433 N ASP A 90 6.519 3.162 -7.891 1.00 0.00 N ATOM 1434 CA ASP A 90 5.780 4.293 -8.414 1.00 0.00 C ATOM 1435 C ASP A 90 4.483 3.764 -9.032 1.00 0.00 C ATOM 1436 O ASP A 90 3.509 4.478 -9.186 1.00 0.00 O ATOM 1437 CB ASP A 90 6.611 5.005 -9.482 1.00 0.00 C ATOM 1438 CG ASP A 90 6.491 6.519 -9.300 1.00 0.00 C ATOM 1439 OD1 ASP A 90 5.373 6.998 -9.212 1.00 0.00 O ATOM 1440 OD2 ASP A 90 7.520 7.173 -9.252 1.00 0.00 O ATOM 0 H ASP A 90 7.454 3.037 -8.280 1.00 0.00 H new ATOM 0 HA ASP A 90 5.558 5.003 -7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.655 4.701 -9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.266 4.719 -10.476 1.00 0.00 H new ATOM 1445 N ALA A 91 4.441 2.486 -9.308 1.00 0.00 N ATOM 1446 CA ALA A 91 3.234 1.894 -9.828 1.00 0.00 C ATOM 1447 C ALA A 91 2.350 1.559 -8.629 1.00 0.00 C ATOM 1448 O ALA A 91 1.150 1.798 -8.621 1.00 0.00 O ATOM 1449 CB ALA A 91 3.573 0.616 -10.595 1.00 0.00 C ATOM 0 H ALA A 91 5.220 1.840 -9.183 1.00 0.00 H new ATOM 0 HA ALA A 91 2.726 2.576 -10.510 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.657 0.173 -10.986 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.242 0.854 -11.422 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.062 -0.092 -9.925 1.00 0.00 H new ATOM 1455 N VAL A 92 2.952 1.079 -7.572 1.00 0.00 N ATOM 1456 CA VAL A 92 2.170 0.809 -6.388 1.00 0.00 C ATOM 1457 C VAL A 92 1.533 2.130 -5.979 1.00 0.00 C ATOM 1458 O VAL A 92 0.346 2.328 -6.133 1.00 0.00 O ATOM 1459 CB VAL A 92 3.061 0.292 -5.260 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.191 -0.043 -4.048 1.00 0.00 C ATOM 1461 CG2 VAL A 92 3.794 -0.970 -5.720 1.00 0.00 C ATOM 0 H VAL A 92 3.948 0.872 -7.502 1.00 0.00 H new ATOM 0 HA VAL A 92 1.418 0.046 -6.588 1.00 0.00 H new ATOM 0 HB VAL A 92 3.791 1.056 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.821 -0.413 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.666 0.853 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.465 -0.809 -4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.429 -1.336 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.066 -1.737 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.410 -0.737 -6.589 1.00 0.00 H new ATOM 1471 N LYS A 93 2.320 3.050 -5.478 1.00 0.00 N ATOM 1472 CA LYS A 93 1.782 4.344 -5.098 1.00 0.00 C ATOM 1473 C LYS A 93 0.838 4.829 -6.194 1.00 0.00 C ATOM 1474 O LYS A 93 -0.180 5.428 -5.902 1.00 0.00 O ATOM 1475 CB LYS A 93 2.941 5.335 -4.927 1.00 0.00 C ATOM 1476 CG LYS A 93 2.417 6.776 -4.909 1.00 0.00 C ATOM 1477 CD LYS A 93 3.575 7.740 -5.178 1.00 0.00 C ATOM 1478 CE LYS A 93 3.453 8.307 -6.593 1.00 0.00 C ATOM 1479 NZ LYS A 93 4.804 8.689 -7.093 1.00 0.00 N ATOM 0 H LYS A 93 3.322 2.936 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 93 1.234 4.266 -4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.474 5.124 -4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.656 5.212 -5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.641 6.902 -5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.962 6.997 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.564 8.550 -4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.527 7.221 -5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.004 7.567 -7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.794 9.176 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.734 9.566 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.443 8.840 -6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.180 7.928 -7.694 1.00 0.00 H new ATOM 1493 N ASP A 94 1.169 4.566 -7.448 1.00 0.00 N ATOM 1494 CA ASP A 94 0.309 4.985 -8.543 1.00 0.00 C ATOM 1495 C ASP A 94 -1.104 4.455 -8.302 1.00 0.00 C ATOM 1496 O ASP A 94 -2.077 5.066 -8.699 1.00 0.00 O ATOM 1497 CB ASP A 94 0.843 4.433 -9.862 1.00 0.00 C ATOM 1498 CG ASP A 94 1.631 5.522 -10.593 1.00 0.00 C ATOM 1499 OD1 ASP A 94 1.302 6.683 -10.415 1.00 0.00 O ATOM 1500 OD2 ASP A 94 2.550 5.177 -11.318 1.00 0.00 O ATOM 0 H ASP A 94 2.015 4.071 -7.731 1.00 0.00 H new ATOM 0 HA ASP A 94 0.291 6.074 -8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.483 3.571 -9.674 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.017 4.088 -10.484 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.232 3.325 -7.651 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.565 2.788 -7.376 1.00 0.00 C ATOM 1507 C LEU A 95 -3.043 3.272 -5.983 1.00 0.00 C ATOM 1508 O LEU A 95 -4.193 3.638 -5.792 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.521 1.256 -7.404 1.00 0.00 C ATOM 1510 CG LEU A 95 -2.506 0.753 -8.854 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -3.568 1.484 -9.678 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -1.129 1.000 -9.471 1.00 0.00 C ATOM 0 H LEU A 95 -0.456 2.761 -7.304 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.260 3.140 -8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.634 0.901 -6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.386 0.850 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.723 -0.315 -8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.547 1.118 -10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.552 1.301 -9.247 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.362 2.554 -9.670 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.122 0.642 -10.500 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.910 2.068 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.372 0.467 -8.896 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.165 3.265 -5.016 1.00 0.00 N ATOM 1525 CA LEU A 96 -2.515 3.697 -3.664 1.00 0.00 C ATOM 1526 C LEU A 96 -3.345 4.997 -3.668 1.00 0.00 C ATOM 1527 O LEU A 96 -4.519 5.008 -3.325 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.225 3.956 -2.896 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.281 2.757 -3.027 1.00 0.00 C ATOM 1530 CD1 LEU A 96 0.808 2.848 -1.957 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.067 1.456 -2.841 1.00 0.00 C ATOM 0 H LEU A 96 -1.196 2.966 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.114 2.913 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.739 4.854 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.449 4.138 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 96 0.175 2.765 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.481 1.995 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.372 3.771 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.348 2.843 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.391 0.606 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.526 1.447 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.844 1.388 -3.603 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.754 6.103 -4.054 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.497 7.358 -4.077 1.00 0.00 C ATOM 1545 C GLN A 97 -4.704 7.254 -5.028 1.00 0.00 C ATOM 1546 O GLN A 97 -5.470 8.186 -5.171 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.592 8.491 -4.572 1.00 0.00 C ATOM 1548 CG GLN A 97 -1.674 7.994 -5.695 1.00 0.00 C ATOM 1549 CD GLN A 97 -2.465 7.066 -6.610 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -2.327 5.785 -6.470 1.00 0.00 O flip ATOM 1551 NE2 GLN A 97 -3.212 7.512 -7.457 1.00 0.00 N flip ATOM 0 H GLN A 97 -1.781 6.169 -4.352 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.843 7.564 -3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.201 9.320 -4.932 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.992 8.872 -3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.283 8.838 -6.263 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.817 7.468 -5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.318 8.521 -7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.734 6.878 -8.062 1.00 0.00 H new ATOM 1560 N GLN A 98 -4.880 6.133 -5.673 1.00 0.00 N ATOM 1561 CA GLN A 98 -5.997 5.976 -6.577 1.00 0.00 C ATOM 1562 C GLN A 98 -7.179 5.341 -5.832 1.00 0.00 C ATOM 1563 O GLN A 98 -8.321 5.675 -6.077 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.590 5.082 -7.749 1.00 0.00 C ATOM 1565 CG GLN A 98 -6.651 5.167 -8.847 1.00 0.00 C ATOM 1566 CD GLN A 98 -6.981 3.762 -9.352 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -7.422 2.920 -8.594 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -6.785 3.470 -10.609 1.00 0.00 N ATOM 0 H GLN A 98 -4.272 5.318 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.292 6.954 -6.956 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.621 5.394 -8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.481 4.051 -7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.551 5.646 -8.461 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.289 5.784 -9.669 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -6.415 4.176 -11.245 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.002 2.535 -10.955 1.00 0.00 H new ATOM 1577 N LEU A 99 -6.926 4.429 -4.923 1.00 0.00 N ATOM 1578 CA LEU A 99 -8.042 3.816 -4.202 1.00 0.00 C ATOM 1579 C LEU A 99 -8.428 4.682 -3.000 1.00 0.00 C ATOM 1580 O LEU A 99 -9.539 4.616 -2.518 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.691 2.416 -3.669 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.392 1.905 -4.264 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.293 2.190 -3.263 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.491 0.395 -4.496 1.00 0.00 C ATOM 0 H LEU A 99 -5.997 4.097 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.864 3.733 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.607 2.449 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.498 1.723 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.186 2.392 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.341 1.835 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.234 3.263 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.512 1.677 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.557 0.031 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.676 -0.108 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.311 0.185 -5.183 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.521 5.464 -2.484 1.00 0.00 N ATOM 1597 CA LEU A 100 -7.864 6.268 -1.317 1.00 0.00 C ATOM 1598 C LEU A 100 -9.171 7.008 -1.603 1.00 0.00 C ATOM 1599 O LEU A 100 -9.981 7.212 -0.720 1.00 0.00 O ATOM 1600 CB LEU A 100 -6.757 7.276 -0.971 1.00 0.00 C ATOM 1601 CG LEU A 100 -5.393 6.721 -1.373 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -4.291 7.603 -0.780 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -5.245 5.294 -0.839 1.00 0.00 C ATOM 0 H LEU A 100 -6.567 5.570 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.977 5.605 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.940 8.219 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.770 7.489 0.098 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.309 6.713 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.316 7.208 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.396 8.620 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.375 7.609 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.271 4.897 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.328 5.302 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.031 4.665 -1.258 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.336 7.363 -2.846 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.575 8.063 -3.252 1.00 0.00 C ATOM 1617 C PRO A 101 -11.774 7.100 -3.281 1.00 0.00 C ATOM 1618 O PRO A 101 -12.896 7.496 -3.527 1.00 0.00 O ATOM 1619 CB PRO A 101 -10.269 8.565 -4.662 1.00 0.00 C ATOM 1620 CG PRO A 101 -8.744 8.597 -4.815 1.00 0.00 C ATOM 1621 CD PRO A 101 -8.178 7.702 -3.715 1.00 0.00 C ATOM 0 HA PRO A 101 -10.842 8.862 -2.560 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.716 7.909 -5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.691 9.558 -4.816 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.445 8.237 -5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.366 9.615 -4.720 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.725 6.803 -4.134 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.401 8.217 -3.150 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.535 5.839 -3.067 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.607 4.854 -3.115 1.00 0.00 C ATOM 1631 C LYS A 102 -13.410 4.827 -1.810 1.00 0.00 C ATOM 1632 O LYS A 102 -14.618 4.701 -1.813 1.00 0.00 O ATOM 1633 CB LYS A 102 -11.974 3.480 -3.309 1.00 0.00 C ATOM 1634 CG LYS A 102 -13.057 2.405 -3.353 1.00 0.00 C ATOM 1635 CD LYS A 102 -12.923 1.604 -4.649 1.00 0.00 C ATOM 1636 CE LYS A 102 -14.199 0.793 -4.884 1.00 0.00 C ATOM 1637 NZ LYS A 102 -15.256 1.682 -5.442 1.00 0.00 N ATOM 0 H LYS A 102 -10.613 5.456 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.282 5.115 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.397 3.464 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.278 3.273 -2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.964 1.743 -2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.044 2.864 -3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.748 2.277 -5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.062 0.938 -4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.999 -0.029 -5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.538 0.349 -3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -16.040 1.103 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.609 2.313 -4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.858 2.251 -6.216 1.00 0.00 H new ATOM 1651 N PHE A 103 -12.741 4.886 -0.698 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.434 4.804 0.585 1.00 0.00 C ATOM 1653 C PHE A 103 -13.437 6.164 1.272 1.00 0.00 C ATOM 1654 O PHE A 103 -13.882 6.292 2.392 1.00 0.00 O ATOM 1655 CB PHE A 103 -12.721 3.787 1.500 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.302 3.645 1.025 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.031 2.849 -0.090 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.273 4.356 1.653 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.732 2.756 -0.583 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -8.964 4.257 1.167 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.694 3.459 0.046 1.00 0.00 C ATOM 0 H PHE A 103 -11.728 4.989 -0.636 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.461 4.486 0.403 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.743 4.126 2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.231 2.824 1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -11.830 2.305 -0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.488 4.978 2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.524 2.144 -1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.164 4.794 1.654 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.686 3.386 -0.334 1.00 0.00 H new ATOM 1671 N LYS A 104 -12.955 7.182 0.617 1.00 0.00 N ATOM 1672 CA LYS A 104 -12.944 8.495 1.235 1.00 0.00 C ATOM 1673 C LYS A 104 -12.920 9.575 0.152 1.00 0.00 C ATOM 1674 O LYS A 104 -11.909 9.813 -0.479 1.00 0.00 O ATOM 1675 CB LYS A 104 -11.704 8.639 2.118 1.00 0.00 C ATOM 1676 CG LYS A 104 -12.100 9.243 3.467 1.00 0.00 C ATOM 1677 CD LYS A 104 -12.802 8.181 4.315 1.00 0.00 C ATOM 1678 CE LYS A 104 -13.329 8.814 5.604 1.00 0.00 C ATOM 1679 NZ LYS A 104 -13.712 7.741 6.564 1.00 0.00 N ATOM 0 H LYS A 104 -12.570 7.140 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.841 8.609 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.237 7.666 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.967 9.274 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.215 9.612 3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.760 10.097 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.625 7.739 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.108 7.374 4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.566 9.456 6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -14.190 9.446 5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.661 8.110 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.683 7.426 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.060 6.937 6.464 1.00 0.00 H new ATOM 1693 N ARG A 105 -14.023 10.236 -0.063 1.00 0.00 N ATOM 1694 CA ARG A 105 -14.063 11.277 -1.071 1.00 0.00 C ATOM 1695 C ARG A 105 -14.831 12.480 -0.515 1.00 0.00 C ATOM 1696 O ARG A 105 -14.401 13.611 -0.627 1.00 0.00 O ATOM 1697 CB ARG A 105 -14.764 10.750 -2.327 1.00 0.00 C ATOM 1698 CG ARG A 105 -16.269 10.641 -2.071 1.00 0.00 C ATOM 1699 CD ARG A 105 -16.952 10.016 -3.287 1.00 0.00 C ATOM 1700 NE ARG A 105 -18.267 10.605 -3.457 1.00 0.00 N ATOM 1701 CZ ARG A 105 -18.913 10.458 -4.584 1.00 0.00 C ATOM 1702 NH1 ARG A 105 -18.382 9.775 -5.562 1.00 0.00 N ATOM 1703 NH2 ARG A 105 -20.093 10.996 -4.731 1.00 0.00 N ATOM 0 H ARG A 105 -14.900 10.081 0.435 1.00 0.00 H new ATOM 0 HA ARG A 105 -13.048 11.579 -1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -14.576 11.418 -3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.360 9.775 -2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -16.454 10.034 -1.185 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -16.687 11.628 -1.874 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -16.350 10.180 -4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -17.039 8.938 -3.155 1.00 0.00 H new ATOM 0 HE ARG A 105 -18.689 11.135 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -17.460 9.354 -5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -18.889 9.663 -6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -20.509 11.530 -3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -20.599 10.883 -5.609 1.00 0.00 H new ATOM 1717 N LYS A 106 -15.966 12.242 0.085 1.00 0.00 N ATOM 1718 CA LYS A 106 -16.742 13.336 0.635 1.00 0.00 C ATOM 1719 C LYS A 106 -16.264 13.633 2.058 1.00 0.00 C ATOM 1720 O LYS A 106 -16.416 12.827 2.954 1.00 0.00 O ATOM 1721 CB LYS A 106 -18.222 12.951 0.663 1.00 0.00 C ATOM 1722 CG LYS A 106 -19.068 14.190 0.964 1.00 0.00 C ATOM 1723 CD LYS A 106 -20.502 13.957 0.486 1.00 0.00 C ATOM 1724 CE LYS A 106 -21.362 15.173 0.834 1.00 0.00 C ATOM 1725 NZ LYS A 106 -22.297 15.458 -0.290 1.00 0.00 N ATOM 0 H LYS A 106 -16.375 11.316 0.208 1.00 0.00 H new ATOM 0 HA LYS A 106 -16.611 14.222 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -18.515 12.522 -0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -18.395 12.187 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -19.059 14.398 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -18.645 15.062 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -20.514 13.786 -0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -20.912 13.063 0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -21.923 14.985 1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -20.727 16.039 1.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -22.882 16.285 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -21.752 15.655 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -22.911 14.634 -0.448 1.00 0.00 H new ATOM 1739 N ALA A 107 -15.687 14.783 2.273 1.00 0.00 N ATOM 1740 CA ALA A 107 -15.212 15.119 3.602 1.00 0.00 C ATOM 1741 C ALA A 107 -15.536 16.584 3.904 1.00 0.00 C ATOM 1742 O ALA A 107 -14.982 17.488 3.310 1.00 0.00 O ATOM 1743 CB ALA A 107 -13.699 14.904 3.673 1.00 0.00 C ATOM 0 H ALA A 107 -15.532 15.499 1.563 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.703 14.480 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.342 15.156 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.469 13.860 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.206 15.542 2.939 1.00 0.00 H new ATOM 1749 N ASN A 108 -16.429 16.826 4.825 1.00 0.00 N ATOM 1750 CA ASN A 108 -16.777 18.194 5.156 1.00 0.00 C ATOM 1751 C ASN A 108 -17.428 18.232 6.540 1.00 0.00 C ATOM 1752 O ASN A 108 -17.443 17.203 7.195 1.00 0.00 O ATOM 1753 CB ASN A 108 -17.757 18.739 4.115 1.00 0.00 C ATOM 1754 CG ASN A 108 -18.805 17.673 3.793 1.00 0.00 C ATOM 1755 OD1 ASN A 108 -18.468 16.566 3.420 1.00 0.00 O ATOM 1756 ND2 ASN A 108 -20.071 17.960 3.921 1.00 0.00 N ATOM 1757 OXT ASN A 108 -17.901 19.290 6.922 1.00 0.00 O ATOM 0 H ASN A 108 -16.926 16.111 5.356 1.00 0.00 H new ATOM 0 HA ASN A 108 -15.876 18.808 5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -18.242 19.639 4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -17.221 19.023 3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -20.778 17.256 3.708 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -20.354 18.889 4.234 1.00 0.00 H new TER 1764 ASN A 108