USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1021 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 32 SER OG : rot 164:sc= -1.53 USER MOD Set 1.2: A 33 SER OG : rot 98:sc= 0.106 USER MOD Set 1.3: A 92 TYR OH : rot 150:sc= 0.324 USER MOD Set 1.4: A 100 LYS NZ :NH3+ -133:sc= 0.156 (180deg=-0.0156) USER MOD Set 2.1: A 26 SER OG : rot -74:sc= 0.666 USER MOD Set 2.2: A 73 ASN :FLIP amide:sc= 0.314 F(o=-1,f=0.98) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 22 HIS : no HE2:sc= -4.04! C(o=-4!,f=-7.9!) USER MOD Single : A 1 ALA N :NH3+ 177:sc= -0.134 (180deg=-0.153) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 80:sc= -1.9 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.046 USER MOD Single : A 12 ASN : amide:sc= -3.09 K(o=-3.1,f=-3.9!) USER MOD Single : A 13 GLN :FLIP amide:sc= -3.15 F(o=-4.8!,f=-3.2) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 15 LYS NZ :NH3+ 151:sc= -0.586 (180deg=-1.15) USER MOD Single : A 19 ASN : amide:sc= -1.34 K(o=-1.3,f=-3.1!) USER MOD Single : A 20 SER OG : rot 133:sc= 0.396 USER MOD Single : A 21 HIS :FLIP no HE2:sc= -0.281 F(o=-0.87,f=-0.28) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.615 USER MOD Single : A 34 TYR OH : rot 180:sc= 0.00111 USER MOD Single : A 36 HIS : no HE2:sc= -8.08 K(o=-8.1,f=-10!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 40 ASN :FLIP amide:sc= 0.0652 F(o=-1.3,f=0.065) USER MOD Single : A 42 TYR OH : rot 74:sc= 0.279 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 25:sc= 0.198 USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00119) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0.92 (180deg=0.851) USER MOD Single : A 60 SER OG : rot -25:sc= 0.422 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.517 K(o=-0.52,f=-7!) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0617 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= -0.0278 (180deg=-0.339) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -1.69 F(o=-3.2!,f=-1.7) USER MOD Single : A 79 TYR OH : rot -30:sc= -0.379 USER MOD Single : A 85 THR OG1 : rot -102:sc= -0.656 USER MOD Single : A 90 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-3.7) USER MOD Single : A 93 LYS NZ :NH3+ -149:sc= -0.0629 (180deg=-0.618) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.6) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 112 TYR OH : rot -20:sc= 0.0297 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 115 LYS NZ :NH3+ -124:sc= -0.113 (180deg=-0.978) USER MOD Single : A 123 HIS :FLIP no HD1:sc= -1.11 F(o=-3.1!,f=-1.1) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -0.145 K(o=-0.15,f=-1.7!) USER MOD Single : A 128 GLN : amide:sc= -0.0104 X(o=-0.01,f=-0.27) USER MOD Single : A 132 LYS NZ :NH3+ -114:sc= -0.34 (180deg=-2.73!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 HIS :FLIP no HD1:sc= -7.24! C(o=-8!,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.341 -0.040 0.041 1.00 0.00 N ATOM 2 CA ALA A 1 2.080 -0.036 -1.225 1.00 0.00 C ATOM 3 C ALA A 1 1.499 0.994 -2.175 1.00 0.00 C ATOM 4 O ALA A 1 1.896 0.984 -3.335 1.00 0.00 O ATOM 5 CB ALA A 1 2.021 -1.414 -1.882 1.00 0.00 C ATOM 0 H1 ALA A 1 1.718 -0.785 0.661 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.445 0.884 0.507 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.334 -0.222 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 1 3.118 0.217 -1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.575 -1.394 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.464 -2.154 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.982 -1.679 -2.079 1.00 0.00 H new ATOM 13 N VAL A 2 0.577 1.847 -1.684 1.00 0.00 N ATOM 14 CA VAL A 2 -0.002 2.973 -2.409 1.00 0.00 C ATOM 15 C VAL A 2 1.080 3.740 -3.170 1.00 0.00 C ATOM 16 O VAL A 2 2.263 3.697 -2.840 1.00 0.00 O ATOM 17 CB VAL A 2 -0.806 3.898 -1.451 1.00 0.00 C ATOM 18 CG1 VAL A 2 -0.105 4.065 -0.099 1.00 0.00 C ATOM 19 CG2 VAL A 2 -1.156 5.238 -2.082 1.00 0.00 C ATOM 0 H VAL A 2 0.209 1.759 -0.737 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.705 2.585 -3.145 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.754 3.395 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.699 4.718 0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.003 3.091 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.880 4.505 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.716 5.841 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.240 5.760 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.763 5.073 -2.973 1.00 0.00 H new ATOM 29 N THR A 3 0.677 4.441 -4.201 1.00 0.00 N ATOM 30 CA THR A 3 1.575 5.255 -4.988 1.00 0.00 C ATOM 31 C THR A 3 1.774 6.623 -4.350 1.00 0.00 C ATOM 32 O THR A 3 0.853 7.427 -4.272 1.00 0.00 O ATOM 33 CB THR A 3 1.017 5.306 -6.392 1.00 0.00 C ATOM 34 OG1 THR A 3 0.968 3.962 -6.826 1.00 0.00 O ATOM 35 CG2 THR A 3 1.936 6.044 -7.336 1.00 0.00 C ATOM 0 H THR A 3 -0.291 4.464 -4.522 1.00 0.00 H new ATOM 0 HA THR A 3 2.576 4.825 -5.029 1.00 0.00 H new ATOM 0 HB THR A 3 0.052 5.813 -6.388 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.610 3.925 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.498 6.058 -8.334 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.072 7.067 -6.986 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.902 5.541 -7.371 1.00 0.00 H new ATOM 43 N TRP A 4 2.979 6.868 -3.848 1.00 0.00 N ATOM 44 CA TRP A 4 3.337 8.135 -3.248 1.00 0.00 C ATOM 45 C TRP A 4 3.652 9.136 -4.342 1.00 0.00 C ATOM 46 O TRP A 4 4.189 8.784 -5.380 1.00 0.00 O ATOM 47 CB TRP A 4 4.517 7.920 -2.302 1.00 0.00 C ATOM 48 CG TRP A 4 4.209 7.062 -1.129 1.00 0.00 C ATOM 49 CD1 TRP A 4 3.696 5.825 -1.165 1.00 0.00 C ATOM 50 CD2 TRP A 4 4.356 7.376 0.269 1.00 0.00 C ATOM 51 NE1 TRP A 4 3.382 5.423 0.105 1.00 0.00 N ATOM 52 CE2 TRP A 4 3.884 6.292 1.037 1.00 0.00 C ATOM 53 CE3 TRP A 4 4.771 8.513 0.966 1.00 0.00 C ATOM 54 CZ2 TRP A 4 3.950 6.260 2.432 1.00 0.00 C ATOM 55 CZ3 TRP A 4 4.746 8.559 2.364 1.00 0.00 C ATOM 56 CH2 TRP A 4 4.361 7.428 3.100 1.00 0.00 C ATOM 0 H TRP A 4 3.736 6.184 -3.849 1.00 0.00 H new ATOM 0 HA TRP A 4 2.509 8.537 -2.664 1.00 0.00 H new ATOM 0 HB2 TRP A 4 5.339 7.471 -2.860 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.865 8.890 -1.947 1.00 0.00 H new ATOM 0 HD1 TRP A 4 3.552 5.236 -2.059 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.844 4.585 0.328 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.118 9.374 0.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.693 5.366 2.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 5.024 9.467 2.878 1.00 0.00 H new ATOM 0 HH2 TRP A 4 4.380 7.454 4.180 1.00 0.00 H new ATOM 67 N THR A 5 3.274 10.384 -4.162 1.00 0.00 N ATOM 68 CA THR A 5 3.509 11.407 -5.176 1.00 0.00 C ATOM 69 C THR A 5 3.955 12.661 -4.489 1.00 0.00 C ATOM 70 O THR A 5 3.399 13.021 -3.456 1.00 0.00 O ATOM 71 CB THR A 5 2.234 11.614 -5.999 1.00 0.00 C ATOM 72 OG1 THR A 5 2.384 10.868 -7.164 1.00 0.00 O ATOM 73 CG2 THR A 5 2.005 13.033 -6.505 1.00 0.00 C ATOM 0 H THR A 5 2.801 10.721 -3.323 1.00 0.00 H new ATOM 0 HA THR A 5 4.292 11.101 -5.870 1.00 0.00 H new ATOM 0 HB THR A 5 1.410 11.343 -5.340 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.184 9.927 -6.978 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.077 13.071 -7.075 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.938 13.715 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.836 13.330 -7.145 1.00 0.00 H new ATOM 81 N CYS A 6 4.904 13.361 -5.090 1.00 0.00 N ATOM 82 CA CYS A 6 5.386 14.620 -4.555 1.00 0.00 C ATOM 83 C CYS A 6 5.224 15.728 -5.577 1.00 0.00 C ATOM 84 O CYS A 6 6.226 16.288 -5.997 1.00 0.00 O ATOM 85 CB CYS A 6 6.836 14.439 -4.114 1.00 0.00 C ATOM 86 SG CYS A 6 7.004 14.424 -2.325 1.00 0.00 S ATOM 0 H CYS A 6 5.358 13.073 -5.957 1.00 0.00 H new ATOM 0 HA CYS A 6 4.797 14.915 -3.686 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.224 13.506 -4.522 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.443 15.244 -4.528 1.00 0.00 H new ATOM 91 N GLY A 7 3.978 16.004 -5.988 1.00 0.00 N ATOM 92 CA GLY A 7 3.646 17.012 -7.004 1.00 0.00 C ATOM 93 C GLY A 7 4.647 17.047 -8.163 1.00 0.00 C ATOM 94 O GLY A 7 5.551 17.874 -8.189 1.00 0.00 O ATOM 0 H GLY A 7 3.158 15.524 -5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.650 16.809 -7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.608 17.995 -6.534 1.00 0.00 H new ATOM 98 N GLY A 8 4.520 16.101 -9.086 1.00 0.00 N ATOM 99 CA GLY A 8 5.447 15.999 -10.205 1.00 0.00 C ATOM 100 C GLY A 8 5.393 14.626 -10.836 1.00 0.00 C ATOM 101 O GLY A 8 4.758 14.457 -11.869 1.00 0.00 O ATOM 0 H GLY A 8 3.784 15.394 -9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.204 16.755 -10.952 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.461 16.204 -9.861 1.00 0.00 H new ATOM 105 N LEU A 9 5.990 13.638 -10.175 1.00 0.00 N ATOM 106 CA LEU A 9 5.971 12.252 -10.625 1.00 0.00 C ATOM 107 C LEU A 9 5.507 11.329 -9.502 1.00 0.00 C ATOM 108 O LEU A 9 5.451 11.714 -8.329 1.00 0.00 O ATOM 109 CB LEU A 9 7.379 11.883 -11.117 1.00 0.00 C ATOM 110 CG LEU A 9 7.702 12.467 -12.510 1.00 0.00 C ATOM 111 CD1 LEU A 9 9.155 12.944 -12.551 1.00 0.00 C ATOM 112 CD2 LEU A 9 7.451 11.423 -13.610 1.00 0.00 C ATOM 0 H LEU A 9 6.504 13.779 -9.305 1.00 0.00 H new ATOM 0 HA LEU A 9 5.263 12.132 -11.445 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.115 12.243 -10.398 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.473 10.798 -11.153 1.00 0.00 H new ATOM 0 HG LEU A 9 7.044 13.317 -12.692 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.376 13.355 -13.536 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.307 13.714 -11.795 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.820 12.104 -12.351 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.685 11.856 -14.583 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.085 10.553 -13.438 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.405 11.118 -13.591 1.00 0.00 H new ATOM 124 N LEU A 10 5.123 10.120 -9.894 1.00 0.00 N ATOM 125 CA LEU A 10 4.597 9.136 -8.968 1.00 0.00 C ATOM 126 C LEU A 10 5.746 8.331 -8.400 1.00 0.00 C ATOM 127 O LEU A 10 6.859 8.435 -8.895 1.00 0.00 O ATOM 128 CB LEU A 10 3.531 8.257 -9.643 1.00 0.00 C ATOM 129 CG LEU A 10 2.515 8.970 -10.562 1.00 0.00 C ATOM 130 CD1 LEU A 10 2.006 10.302 -9.996 1.00 0.00 C ATOM 131 CD2 LEU A 10 3.111 9.176 -11.956 1.00 0.00 C ATOM 0 H LEU A 10 5.169 9.799 -10.861 1.00 0.00 H new ATOM 0 HA LEU A 10 4.092 9.636 -8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.043 7.495 -10.231 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.975 7.738 -8.862 1.00 0.00 H new ATOM 0 HG LEU A 10 1.647 8.314 -10.626 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.297 10.747 -10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.513 10.126 -9.040 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.846 10.981 -9.851 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.383 9.680 -12.592 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.011 9.787 -11.880 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.364 8.209 -12.390 1.00 0.00 H new ATOM 143 N TYR A 11 5.476 7.518 -7.391 1.00 0.00 N ATOM 144 CA TYR A 11 6.511 6.839 -6.645 1.00 0.00 C ATOM 145 C TYR A 11 5.885 5.672 -5.915 1.00 0.00 C ATOM 146 O TYR A 11 5.414 5.781 -4.783 1.00 0.00 O ATOM 147 CB TYR A 11 7.215 7.782 -5.654 1.00 0.00 C ATOM 148 CG TYR A 11 7.978 8.928 -6.272 1.00 0.00 C ATOM 149 CD1 TYR A 11 9.129 8.654 -7.024 1.00 0.00 C ATOM 150 CD2 TYR A 11 7.475 10.241 -6.196 1.00 0.00 C ATOM 151 CE1 TYR A 11 9.807 9.698 -7.684 1.00 0.00 C ATOM 152 CE2 TYR A 11 8.131 11.274 -6.902 1.00 0.00 C ATOM 153 CZ TYR A 11 9.294 11.003 -7.655 1.00 0.00 C ATOM 154 OH TYR A 11 10.021 12.004 -8.209 1.00 0.00 O ATOM 0 H TYR A 11 4.530 7.313 -7.070 1.00 0.00 H new ATOM 0 HA TYR A 11 7.274 6.486 -7.338 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.466 8.192 -4.976 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.905 7.194 -5.049 1.00 0.00 H new ATOM 0 HD1 TYR A 11 9.497 7.641 -7.098 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.597 10.456 -5.604 1.00 0.00 H new ATOM 0 HE1 TYR A 11 10.725 9.493 -8.214 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.739 12.280 -6.865 1.00 0.00 H new ATOM 0 HH TYR A 11 9.537 12.851 -8.114 1.00 0.00 H new ATOM 164 N ASN A 12 5.782 4.542 -6.598 1.00 0.00 N ATOM 165 CA ASN A 12 5.203 3.378 -5.974 1.00 0.00 C ATOM 166 C ASN A 12 5.943 3.108 -4.687 1.00 0.00 C ATOM 167 O ASN A 12 7.130 2.887 -4.799 1.00 0.00 O ATOM 168 CB ASN A 12 5.293 2.187 -6.928 1.00 0.00 C ATOM 169 CG ASN A 12 4.941 0.895 -6.245 1.00 0.00 C ATOM 170 OD1 ASN A 12 5.484 -0.120 -6.610 1.00 0.00 O ATOM 171 ND2 ASN A 12 4.102 0.917 -5.226 1.00 0.00 N ATOM 0 H ASN A 12 6.086 4.413 -7.563 1.00 0.00 H new ATOM 0 HA ASN A 12 4.150 3.545 -5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.622 2.346 -7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.303 2.121 -7.332 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.894 0.057 -4.718 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.662 1.794 -4.946 1.00 0.00 H new ATOM 178 N GLN A 13 5.279 3.057 -3.529 1.00 0.00 N ATOM 179 CA GLN A 13 5.940 2.708 -2.273 1.00 0.00 C ATOM 180 C GLN A 13 6.835 1.483 -2.405 1.00 0.00 C ATOM 181 O GLN A 13 7.950 1.490 -1.906 1.00 0.00 O ATOM 182 CB GLN A 13 4.882 2.439 -1.215 1.00 0.00 C ATOM 183 CG GLN A 13 5.444 1.733 0.049 1.00 0.00 C ATOM 184 CD GLN A 13 5.094 2.427 1.338 1.00 0.00 C ATOM 185 OE1 GLN A 13 5.209 3.715 1.326 1.00 0.00 O flip ATOM 186 NE2 GLN A 13 4.526 1.900 2.269 1.00 0.00 N flip ATOM 0 H GLN A 13 4.282 3.254 -3.438 1.00 0.00 H new ATOM 0 HA GLN A 13 6.574 3.548 -1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.423 3.383 -0.922 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.094 1.822 -1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.065 0.712 0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.529 1.668 -0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.425 0.885 2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.148 2.471 3.025 1.00 0.00 H new ATOM 195 N ASN A 14 6.364 0.483 -3.145 1.00 0.00 N ATOM 196 CA ASN A 14 7.162 -0.689 -3.403 1.00 0.00 C ATOM 197 C ASN A 14 8.471 -0.321 -4.075 1.00 0.00 C ATOM 198 O ASN A 14 9.483 -0.823 -3.673 1.00 0.00 O ATOM 199 CB ASN A 14 6.454 -1.646 -4.350 1.00 0.00 C ATOM 200 CG ASN A 14 6.473 -3.064 -3.893 1.00 0.00 C ATOM 201 OD1 ASN A 14 7.412 -3.548 -3.305 1.00 0.00 O ATOM 202 ND2 ASN A 14 5.411 -3.758 -4.195 1.00 0.00 N ATOM 0 H ASN A 14 5.437 0.470 -3.570 1.00 0.00 H new ATOM 0 HA ASN A 14 7.333 -1.156 -2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.419 -1.326 -4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.922 -1.584 -5.332 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.354 -4.742 -3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.637 -3.316 -4.692 1.00 0.00 H new ATOM 209 N LYS A 15 8.496 0.508 -5.112 1.00 0.00 N ATOM 210 CA LYS A 15 9.719 1.036 -5.695 1.00 0.00 C ATOM 211 C LYS A 15 10.401 2.041 -4.784 1.00 0.00 C ATOM 212 O LYS A 15 11.593 1.944 -4.653 1.00 0.00 O ATOM 213 CB LYS A 15 9.404 1.670 -7.045 1.00 0.00 C ATOM 214 CG LYS A 15 9.976 0.800 -8.162 1.00 0.00 C ATOM 215 CD LYS A 15 9.056 0.819 -9.392 1.00 0.00 C ATOM 216 CE LYS A 15 9.190 -0.489 -10.187 1.00 0.00 C ATOM 217 NZ LYS A 15 8.568 -0.350 -11.529 1.00 0.00 N ATOM 0 H LYS A 15 7.650 0.837 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 15 10.413 0.207 -5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.326 1.775 -7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.829 2.672 -7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.967 1.159 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.095 -0.224 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.021 0.955 -9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.309 1.666 -10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.243 -0.750 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.713 -1.303 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.052 -0.977 -12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.563 -0.611 -11.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.653 0.635 -11.851 1.00 0.00 H new ATOM 231 N ALA A 16 9.711 2.922 -4.092 1.00 0.00 N ATOM 232 CA ALA A 16 10.291 3.845 -3.148 1.00 0.00 C ATOM 233 C ALA A 16 11.151 3.113 -2.136 1.00 0.00 C ATOM 234 O ALA A 16 12.264 3.530 -1.879 1.00 0.00 O ATOM 235 CB ALA A 16 9.184 4.651 -2.503 1.00 0.00 C ATOM 0 H ALA A 16 8.699 3.016 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 16 10.956 4.538 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.614 5.352 -1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.641 5.203 -3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.499 3.979 -1.986 1.00 0.00 H new ATOM 241 N GLU A 17 10.697 1.962 -1.662 1.00 0.00 N ATOM 242 CA GLU A 17 11.449 1.149 -0.741 1.00 0.00 C ATOM 243 C GLU A 17 12.369 0.222 -1.513 1.00 0.00 C ATOM 244 O GLU A 17 13.528 0.154 -1.150 1.00 0.00 O ATOM 245 CB GLU A 17 10.503 0.398 0.200 1.00 0.00 C ATOM 246 CG GLU A 17 9.846 -0.811 -0.462 1.00 0.00 C ATOM 247 CD GLU A 17 8.801 -1.481 0.396 1.00 0.00 C ATOM 248 OE1 GLU A 17 7.908 -0.754 0.887 1.00 0.00 O ATOM 249 OE2 GLU A 17 9.003 -2.696 0.615 1.00 0.00 O ATOM 0 H GLU A 17 9.789 1.571 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 17 12.077 1.781 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.058 0.069 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.728 1.081 0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.386 -0.496 -1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.617 -1.539 -0.715 1.00 0.00 H new ATOM 256 N SER A 18 11.896 -0.470 -2.551 1.00 0.00 N ATOM 257 CA SER A 18 12.575 -1.522 -3.293 1.00 0.00 C ATOM 258 C SER A 18 13.717 -0.893 -4.027 1.00 0.00 C ATOM 259 O SER A 18 14.833 -1.294 -3.783 1.00 0.00 O ATOM 260 CB SER A 18 11.716 -2.197 -4.351 1.00 0.00 C ATOM 261 OG SER A 18 12.470 -3.147 -5.081 1.00 0.00 O ATOM 0 H SER A 18 10.961 -0.294 -2.918 1.00 0.00 H new ATOM 0 HA SER A 18 12.865 -2.277 -2.562 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.866 -2.688 -3.877 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.312 -1.447 -5.031 1.00 0.00 H new ATOM 0 HG SER A 18 11.898 -3.570 -5.755 1.00 0.00 H new ATOM 267 N ASN A 19 13.498 0.141 -4.827 1.00 0.00 N ATOM 268 CA ASN A 19 14.544 0.958 -5.406 1.00 0.00 C ATOM 269 C ASN A 19 15.662 1.293 -4.431 1.00 0.00 C ATOM 270 O ASN A 19 16.817 1.241 -4.830 1.00 0.00 O ATOM 271 CB ASN A 19 14.008 2.252 -5.994 1.00 0.00 C ATOM 272 CG ASN A 19 14.958 2.811 -7.016 1.00 0.00 C ATOM 273 OD1 ASN A 19 15.471 3.894 -6.919 1.00 0.00 O ATOM 274 ND2 ASN A 19 15.147 2.110 -8.092 1.00 0.00 N ATOM 0 H ASN A 19 12.560 0.439 -5.096 1.00 0.00 H new ATOM 0 HA ASN A 19 14.958 0.339 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.037 2.072 -6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.853 2.981 -5.199 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.727 2.479 -8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.716 1.190 -8.184 1.00 0.00 H new ATOM 281 N SER A 20 15.304 1.511 -3.166 1.00 0.00 N ATOM 282 CA SER A 20 16.254 1.692 -2.086 1.00 0.00 C ATOM 283 C SER A 20 16.799 0.410 -1.490 1.00 0.00 C ATOM 284 O SER A 20 17.930 0.416 -1.055 1.00 0.00 O ATOM 285 CB SER A 20 15.602 2.473 -0.948 1.00 0.00 C ATOM 286 OG SER A 20 15.483 1.781 0.289 1.00 0.00 O ATOM 0 H SER A 20 14.331 1.566 -2.866 1.00 0.00 H new ATOM 0 HA SER A 20 17.090 2.223 -2.541 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.179 3.383 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.606 2.781 -1.268 1.00 0.00 H new ATOM 0 HG SER A 20 15.792 2.358 1.018 1.00 0.00 H new ATOM 292 N HIS A 21 16.027 -0.675 -1.410 1.00 0.00 N ATOM 293 CA HIS A 21 16.423 -1.986 -0.913 1.00 0.00 C ATOM 294 C HIS A 21 17.778 -2.381 -1.484 1.00 0.00 C ATOM 295 O HIS A 21 18.549 -3.023 -0.784 1.00 0.00 O ATOM 296 CB HIS A 21 15.358 -3.056 -1.248 1.00 0.00 C ATOM 297 CG HIS A 21 14.175 -3.115 -0.316 1.00 0.00 C ATOM 298 ND1 HIS A 21 13.728 -2.139 0.536 1.00 0.00 N flip ATOM 299 CD2 HIS A 21 13.356 -4.219 -0.171 1.00 0.00 C flip ATOM 300 CE1 HIS A 21 12.627 -2.642 1.193 1.00 0.00 C flip ATOM 301 NE2 HIS A 21 12.418 -3.905 0.749 1.00 0.00 N flip ATOM 0 H HIS A 21 15.052 -0.657 -1.709 1.00 0.00 H new ATOM 0 HA HIS A 21 16.505 -1.926 0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 21 14.992 -2.874 -2.259 1.00 0.00 H new ATOM 0 HB3 HIS A 21 15.841 -4.033 -1.255 1.00 0.00 H new ATOM 0 HD1 HIS A 21 14.135 -1.212 0.660 1.00 0.00 H new ATOM 0 HD2 HIS A 21 13.449 -5.158 -0.696 1.00 0.00 H new ATOM 0 HE1 HIS A 21 12.035 -2.122 1.931 1.00 0.00 H new ATOM 310 N HIS A 22 18.039 -2.004 -2.736 1.00 0.00 N ATOM 311 CA HIS A 22 19.296 -2.202 -3.400 1.00 0.00 C ATOM 312 C HIS A 22 20.370 -1.246 -2.904 1.00 0.00 C ATOM 313 O HIS A 22 21.444 -1.733 -2.585 1.00 0.00 O ATOM 314 CB HIS A 22 19.128 -2.076 -4.915 1.00 0.00 C ATOM 315 CG HIS A 22 17.726 -2.174 -5.459 1.00 0.00 C ATOM 316 ND1 HIS A 22 17.250 -1.377 -6.465 1.00 0.00 N ATOM 317 CD2 HIS A 22 16.725 -3.019 -5.063 1.00 0.00 C ATOM 318 CE1 HIS A 22 15.987 -1.766 -6.715 1.00 0.00 C ATOM 319 NE2 HIS A 22 15.636 -2.768 -5.870 1.00 0.00 N ATOM 0 H HIS A 22 17.347 -1.538 -3.323 1.00 0.00 H new ATOM 0 HA HIS A 22 19.629 -3.212 -3.160 1.00 0.00 H new ATOM 0 HB2 HIS A 22 19.545 -1.117 -5.223 1.00 0.00 H new ATOM 0 HB3 HIS A 22 19.730 -2.852 -5.388 1.00 0.00 H new ATOM 0 HD1 HIS A 22 17.758 -0.629 -6.937 1.00 0.00 H new ATOM 0 HD2 HIS A 22 16.778 -3.747 -4.267 1.00 0.00 H new ATOM 0 HE1 HIS A 22 15.347 -1.343 -7.476 1.00 0.00 H new ATOM 328 N ALA A 23 20.052 0.054 -2.834 1.00 0.00 N ATOM 329 CA ALA A 23 20.882 1.083 -2.248 1.00 0.00 C ATOM 330 C ALA A 23 21.667 0.580 -1.020 1.00 0.00 C ATOM 331 O ALA A 23 21.092 -0.033 -0.110 1.00 0.00 O ATOM 332 CB ALA A 23 20.074 2.326 -1.888 1.00 0.00 C ATOM 0 H ALA A 23 19.173 0.418 -3.202 1.00 0.00 H new ATOM 0 HA ALA A 23 21.608 1.355 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 23 20.734 3.075 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.610 2.732 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.299 2.061 -1.169 1.00 0.00 H new ATOM 338 N PRO A 24 22.986 0.802 -1.001 1.00 0.00 N ATOM 339 CA PRO A 24 23.836 0.302 0.059 1.00 0.00 C ATOM 340 C PRO A 24 23.598 1.139 1.311 1.00 0.00 C ATOM 341 O PRO A 24 23.728 2.367 1.309 1.00 0.00 O ATOM 342 CB PRO A 24 25.264 0.407 -0.458 1.00 0.00 C ATOM 343 CG PRO A 24 25.197 1.353 -1.650 1.00 0.00 C ATOM 344 CD PRO A 24 23.732 1.544 -2.000 1.00 0.00 C ATOM 0 HA PRO A 24 23.627 -0.733 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 24 25.933 0.792 0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 24 25.647 -0.570 -0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 24 25.661 2.309 -1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 24 25.743 0.940 -2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 24 23.461 2.600 -1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.518 1.174 -3.003 1.00 0.00 H new ATOM 352 N LEU A 25 23.220 0.456 2.391 1.00 0.00 N ATOM 353 CA LEU A 25 22.977 1.081 3.675 1.00 0.00 C ATOM 354 C LEU A 25 24.216 1.788 4.180 1.00 0.00 C ATOM 355 O LEU A 25 25.153 1.136 4.625 1.00 0.00 O ATOM 356 CB LEU A 25 22.455 0.042 4.682 1.00 0.00 C ATOM 357 CG LEU A 25 21.253 0.522 5.498 1.00 0.00 C ATOM 358 CD1 LEU A 25 20.210 1.209 4.626 1.00 0.00 C ATOM 359 CD2 LEU A 25 20.627 -0.661 6.237 1.00 0.00 C ATOM 0 H LEU A 25 23.075 -0.554 2.391 1.00 0.00 H new ATOM 0 HA LEU A 25 22.207 1.843 3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.178 -0.865 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 25 23.262 -0.226 5.364 1.00 0.00 H new ATOM 0 HG LEU A 25 21.610 1.258 6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.374 1.534 5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.657 2.075 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.851 0.511 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.771 -0.316 6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.298 -1.408 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 25 21.365 -1.103 6.907 1.00 0.00 H new ATOM 371 N SER A 26 24.243 3.108 4.063 1.00 0.00 N ATOM 372 CA SER A 26 25.406 3.903 4.445 1.00 0.00 C ATOM 373 C SER A 26 25.166 5.369 4.180 1.00 0.00 C ATOM 374 O SER A 26 24.432 5.690 3.268 1.00 0.00 O ATOM 375 CB SER A 26 26.640 3.519 3.643 1.00 0.00 C ATOM 376 OG SER A 26 27.445 2.631 4.380 1.00 0.00 O ATOM 0 H SER A 26 23.464 3.658 3.702 1.00 0.00 H new ATOM 0 HA SER A 26 25.565 3.711 5.506 1.00 0.00 H new ATOM 0 HB2 SER A 26 26.341 3.055 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 26 27.210 4.413 3.390 1.00 0.00 H new ATOM 0 HG SER A 26 27.912 3.123 5.087 1.00 0.00 H new ATOM 382 N ASP A 27 25.780 6.270 4.928 1.00 0.00 N ATOM 383 CA ASP A 27 25.602 7.711 4.756 1.00 0.00 C ATOM 384 C ASP A 27 26.499 8.206 3.621 1.00 0.00 C ATOM 385 O ASP A 27 27.658 8.533 3.841 1.00 0.00 O ATOM 386 CB ASP A 27 25.945 8.412 6.063 1.00 0.00 C ATOM 387 CG ASP A 27 26.367 9.865 5.830 1.00 0.00 C ATOM 388 OD1 ASP A 27 25.636 10.559 5.094 1.00 0.00 O ATOM 389 OD2 ASP A 27 27.422 10.267 6.376 1.00 0.00 O ATOM 0 H ASP A 27 26.423 6.024 5.680 1.00 0.00 H new ATOM 0 HA ASP A 27 24.567 7.934 4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 27 25.082 8.386 6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 27 26.750 7.875 6.564 1.00 0.00 H new ATOM 394 N GLY A 28 25.985 8.198 2.397 1.00 0.00 N ATOM 395 CA GLY A 28 26.742 8.681 1.252 1.00 0.00 C ATOM 396 C GLY A 28 28.019 7.888 1.049 1.00 0.00 C ATOM 397 O GLY A 28 29.101 8.298 1.453 1.00 0.00 O ATOM 0 H GLY A 28 25.048 7.862 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 28 26.126 8.615 0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.986 9.734 1.395 1.00 0.00 H new ATOM 401 N LYS A 29 27.907 6.735 0.402 1.00 0.00 N ATOM 402 CA LYS A 29 29.063 5.884 0.130 1.00 0.00 C ATOM 403 C LYS A 29 28.874 5.091 -1.142 1.00 0.00 C ATOM 404 O LYS A 29 29.106 3.891 -1.210 1.00 0.00 O ATOM 405 CB LYS A 29 29.355 5.012 1.361 1.00 0.00 C ATOM 406 CG LYS A 29 30.483 5.623 2.202 1.00 0.00 C ATOM 407 CD LYS A 29 31.269 4.529 2.925 1.00 0.00 C ATOM 408 CE LYS A 29 32.706 4.994 3.190 1.00 0.00 C ATOM 409 NZ LYS A 29 33.078 4.752 4.604 1.00 0.00 N ATOM 0 H LYS A 29 27.023 6.364 0.053 1.00 0.00 H new ATOM 0 HA LYS A 29 29.943 6.502 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 29 28.454 4.916 1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 29 29.634 4.007 1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 29 31.153 6.196 1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 29 30.065 6.319 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 29 30.780 4.282 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 29 31.279 3.620 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.393 4.463 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 29 32.799 6.055 2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 34.054 5.073 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 32.433 5.278 5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 33.009 3.735 4.812 1.00 0.00 H new ATOM 423 N THR A 30 28.418 5.768 -2.173 1.00 0.00 N ATOM 424 CA THR A 30 28.093 5.104 -3.432 1.00 0.00 C ATOM 425 C THR A 30 28.793 5.829 -4.539 1.00 0.00 C ATOM 426 O THR A 30 29.004 7.035 -4.399 1.00 0.00 O ATOM 427 CB THR A 30 26.585 5.136 -3.632 1.00 0.00 C ATOM 428 OG1 THR A 30 26.212 6.488 -3.657 1.00 0.00 O ATOM 429 CG2 THR A 30 25.823 4.492 -2.489 1.00 0.00 C ATOM 0 H THR A 30 28.262 6.776 -2.172 1.00 0.00 H new ATOM 0 HA THR A 30 28.419 4.064 -3.423 1.00 0.00 H new ATOM 0 HB THR A 30 26.350 4.590 -4.546 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.243 6.558 -3.789 1.00 0.00 H new ATOM 0 HG21 THR A 30 24.753 4.546 -2.689 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.123 3.448 -2.394 1.00 0.00 H new ATOM 0 HG23 THR A 30 26.045 5.019 -1.561 1.00 0.00 H new ATOM 437 N GLY A 31 29.104 5.129 -5.629 1.00 0.00 N ATOM 438 CA GLY A 31 29.829 5.701 -6.760 1.00 0.00 C ATOM 439 C GLY A 31 29.330 7.091 -7.116 1.00 0.00 C ATOM 440 O GLY A 31 30.115 8.031 -7.205 1.00 0.00 O ATOM 0 H GLY A 31 28.859 4.146 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 31 30.892 5.748 -6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.725 5.046 -7.625 1.00 0.00 H new ATOM 444 N SER A 32 28.018 7.227 -7.308 1.00 0.00 N ATOM 445 CA SER A 32 27.407 8.529 -7.503 1.00 0.00 C ATOM 446 C SER A 32 27.462 9.357 -6.235 1.00 0.00 C ATOM 447 O SER A 32 28.177 10.357 -6.237 1.00 0.00 O ATOM 448 CB SER A 32 25.970 8.378 -8.026 1.00 0.00 C ATOM 449 OG SER A 32 25.081 9.426 -7.641 1.00 0.00 O ATOM 0 H SER A 32 27.362 6.446 -7.332 1.00 0.00 H new ATOM 0 HA SER A 32 27.980 9.067 -8.259 1.00 0.00 H new ATOM 0 HB2 SER A 32 25.998 8.325 -9.114 1.00 0.00 H new ATOM 0 HB3 SER A 32 25.567 7.430 -7.671 1.00 0.00 H new ATOM 0 HG SER A 32 24.279 9.397 -8.203 1.00 0.00 H new ATOM 455 N SER A 33 26.566 9.061 -5.289 1.00 0.00 N ATOM 456 CA SER A 33 26.442 9.799 -4.039 1.00 0.00 C ATOM 457 C SER A 33 25.372 9.194 -3.160 1.00 0.00 C ATOM 458 O SER A 33 25.693 8.742 -2.076 1.00 0.00 O ATOM 459 CB SER A 33 26.128 11.285 -4.273 1.00 0.00 C ATOM 460 OG SER A 33 24.941 11.507 -5.021 1.00 0.00 O ATOM 0 H SER A 33 25.901 8.292 -5.375 1.00 0.00 H new ATOM 0 HA SER A 33 27.408 9.729 -3.539 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.038 11.784 -3.308 1.00 0.00 H new ATOM 0 HB3 SER A 33 26.967 11.747 -4.794 1.00 0.00 H new ATOM 0 HG SER A 33 24.200 11.698 -4.409 1.00 0.00 H new ATOM 466 N TYR A 34 24.139 9.197 -3.660 1.00 0.00 N ATOM 467 CA TYR A 34 22.988 8.682 -2.990 1.00 0.00 C ATOM 468 C TYR A 34 23.086 7.173 -2.717 1.00 0.00 C ATOM 469 O TYR A 34 23.469 6.435 -3.611 1.00 0.00 O ATOM 470 CB TYR A 34 21.766 8.954 -3.842 1.00 0.00 C ATOM 471 CG TYR A 34 21.473 10.426 -4.042 1.00 0.00 C ATOM 472 CD1 TYR A 34 20.707 11.133 -3.100 1.00 0.00 C ATOM 473 CD2 TYR A 34 21.930 11.080 -5.206 1.00 0.00 C ATOM 474 CE1 TYR A 34 20.438 12.496 -3.330 1.00 0.00 C ATOM 475 CE2 TYR A 34 21.642 12.447 -5.425 1.00 0.00 C ATOM 476 CZ TYR A 34 20.889 13.157 -4.475 1.00 0.00 C ATOM 477 OH TYR A 34 20.581 14.469 -4.613 1.00 0.00 O ATOM 0 H TYR A 34 23.925 9.578 -4.582 1.00 0.00 H new ATOM 0 HA TYR A 34 22.917 9.182 -2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 34 21.903 8.485 -4.816 1.00 0.00 H new ATOM 0 HB3 TYR A 34 20.900 8.481 -3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 34 20.331 10.640 -2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 34 22.505 10.531 -5.937 1.00 0.00 H new ATOM 0 HE1 TYR A 34 19.865 13.047 -2.599 1.00 0.00 H new ATOM 0 HE2 TYR A 34 21.998 12.942 -6.316 1.00 0.00 H new ATOM 0 HH TYR A 34 20.957 14.807 -5.453 1.00 0.00 H new ATOM 487 N PRO A 35 22.517 6.691 -1.611 1.00 0.00 N ATOM 488 CA PRO A 35 21.797 7.537 -0.697 1.00 0.00 C ATOM 489 C PRO A 35 22.742 8.336 0.201 1.00 0.00 C ATOM 490 O PRO A 35 23.937 8.365 0.009 1.00 0.00 O ATOM 491 CB PRO A 35 20.968 6.584 0.079 1.00 0.00 C ATOM 492 CG PRO A 35 21.570 5.191 -0.015 1.00 0.00 C ATOM 493 CD PRO A 35 22.522 5.294 -1.192 1.00 0.00 C ATOM 0 HA PRO A 35 21.199 8.294 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 35 20.914 6.898 1.121 1.00 0.00 H new ATOM 0 HB3 PRO A 35 19.948 6.577 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 35 22.093 4.917 0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 35 20.804 4.434 -0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 35 23.526 4.979 -0.907 1.00 0.00 H new ATOM 0 HD3 PRO A 35 22.203 4.644 -2.007 1.00 0.00 H new ATOM 501 N HIS A 36 22.222 9.146 1.098 1.00 0.00 N ATOM 502 CA HIS A 36 23.027 10.002 1.971 1.00 0.00 C ATOM 503 C HIS A 36 22.311 10.290 3.264 1.00 0.00 C ATOM 504 O HIS A 36 21.163 9.930 3.381 1.00 0.00 O ATOM 505 CB HIS A 36 23.454 11.264 1.240 1.00 0.00 C ATOM 506 CG HIS A 36 22.360 12.063 0.590 1.00 0.00 C ATOM 507 ND1 HIS A 36 22.374 13.436 0.501 1.00 0.00 N ATOM 508 CD2 HIS A 36 21.211 11.613 0.006 1.00 0.00 C ATOM 509 CE1 HIS A 36 21.229 13.815 -0.094 1.00 0.00 C ATOM 510 NE2 HIS A 36 20.534 12.710 -0.420 1.00 0.00 N ATOM 0 H HIS A 36 21.218 9.236 1.251 1.00 0.00 H new ATOM 0 HA HIS A 36 23.938 9.467 2.239 1.00 0.00 H new ATOM 0 HB2 HIS A 36 23.974 11.909 1.948 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.176 10.986 0.472 1.00 0.00 H new ATOM 0 HD1 HIS A 36 23.117 14.054 0.827 1.00 0.00 H new ATOM 0 HD2 HIS A 36 20.901 10.584 -0.097 1.00 0.00 H new ATOM 0 HE1 HIS A 36 20.920 14.833 -0.279 1.00 0.00 H new ATOM 519 N TRP A 37 22.980 10.768 4.289 1.00 0.00 N ATOM 520 CA TRP A 37 22.294 11.116 5.521 1.00 0.00 C ATOM 521 C TRP A 37 21.439 12.361 5.264 1.00 0.00 C ATOM 522 O TRP A 37 21.853 13.330 4.621 1.00 0.00 O ATOM 523 CB TRP A 37 23.318 11.353 6.622 1.00 0.00 C ATOM 524 CG TRP A 37 22.837 12.019 7.851 1.00 0.00 C ATOM 525 CD1 TRP A 37 21.855 11.606 8.660 1.00 0.00 C ATOM 526 CD2 TRP A 37 23.314 13.250 8.416 1.00 0.00 C ATOM 527 NE1 TRP A 37 21.690 12.485 9.694 1.00 0.00 N ATOM 528 CE2 TRP A 37 22.572 13.520 9.592 1.00 0.00 C ATOM 529 CE3 TRP A 37 24.308 14.163 8.033 1.00 0.00 C ATOM 530 CZ2 TRP A 37 22.790 14.642 10.375 1.00 0.00 C ATOM 531 CZ3 TRP A 37 24.584 15.291 8.812 1.00 0.00 C ATOM 532 CH2 TRP A 37 23.815 15.509 9.967 1.00 0.00 C ATOM 0 H TRP A 37 23.988 10.925 4.299 1.00 0.00 H new ATOM 0 HA TRP A 37 21.641 10.306 5.846 1.00 0.00 H new ATOM 0 HB2 TRP A 37 23.743 10.389 6.903 1.00 0.00 H new ATOM 0 HB3 TRP A 37 24.129 11.951 6.207 1.00 0.00 H new ATOM 0 HD1 TRP A 37 21.275 10.706 8.517 1.00 0.00 H new ATOM 0 HE1 TRP A 37 21.002 12.381 10.439 1.00 0.00 H new ATOM 0 HE3 TRP A 37 24.867 13.992 7.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 22.199 14.840 11.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 25.369 15.978 8.532 1.00 0.00 H new ATOM 0 HH2 TRP A 37 24.022 16.382 10.568 1.00 0.00 H new ATOM 543 N PHE A 38 20.263 12.350 5.856 1.00 0.00 N ATOM 544 CA PHE A 38 19.250 13.351 5.756 1.00 0.00 C ATOM 545 C PHE A 38 19.073 13.881 7.147 1.00 0.00 C ATOM 546 O PHE A 38 18.206 13.409 7.880 1.00 0.00 O ATOM 547 CB PHE A 38 17.940 12.728 5.280 1.00 0.00 C ATOM 548 CG PHE A 38 16.760 13.672 5.313 1.00 0.00 C ATOM 549 CD1 PHE A 38 16.892 15.003 4.865 1.00 0.00 C ATOM 550 CD2 PHE A 38 15.548 13.216 5.850 1.00 0.00 C ATOM 551 CE1 PHE A 38 15.787 15.882 4.926 1.00 0.00 C ATOM 552 CE2 PHE A 38 14.442 14.082 5.865 1.00 0.00 C ATOM 553 CZ PHE A 38 14.558 15.409 5.417 1.00 0.00 C ATOM 0 H PHE A 38 19.981 11.579 6.462 1.00 0.00 H new ATOM 0 HA PHE A 38 19.525 14.132 5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 38 18.072 12.364 4.261 1.00 0.00 H new ATOM 0 HB3 PHE A 38 17.716 11.861 5.901 1.00 0.00 H new ATOM 0 HD1 PHE A 38 17.837 15.350 4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 38 15.466 12.215 6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 38 15.886 16.906 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 38 13.489 13.723 6.226 1.00 0.00 H new ATOM 0 HZ PHE A 38 13.702 16.066 5.450 1.00 0.00 H new ATOM 563 N THR A 39 19.897 14.868 7.488 1.00 0.00 N ATOM 564 CA THR A 39 19.840 15.603 8.743 1.00 0.00 C ATOM 565 C THR A 39 18.421 15.858 9.158 1.00 0.00 C ATOM 566 O THR A 39 18.149 15.742 10.332 1.00 0.00 O ATOM 567 CB THR A 39 20.543 16.952 8.589 1.00 0.00 C ATOM 568 OG1 THR A 39 19.832 17.696 7.634 1.00 0.00 O ATOM 569 CG2 THR A 39 21.944 16.806 8.034 1.00 0.00 C ATOM 0 H THR A 39 20.648 15.187 6.875 1.00 0.00 H new ATOM 0 HA THR A 39 20.334 14.997 9.502 1.00 0.00 H new ATOM 0 HB THR A 39 20.585 17.419 9.573 1.00 0.00 H new ATOM 0 HG1 THR A 39 20.260 18.570 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 39 22.403 17.790 7.942 1.00 0.00 H new ATOM 0 HG22 THR A 39 22.539 16.189 8.707 1.00 0.00 H new ATOM 0 HG23 THR A 39 21.899 16.334 7.053 1.00 0.00 H new ATOM 577 N ASN A 40 17.520 16.121 8.212 1.00 0.00 N ATOM 578 CA ASN A 40 16.098 16.328 8.413 1.00 0.00 C ATOM 579 C ASN A 40 15.872 17.690 9.049 1.00 0.00 C ATOM 580 O ASN A 40 14.756 18.038 9.395 1.00 0.00 O ATOM 581 CB ASN A 40 15.486 15.173 9.230 1.00 0.00 C ATOM 582 CG ASN A 40 13.967 15.171 9.208 1.00 0.00 C ATOM 583 OD1 ASN A 40 13.354 15.100 10.345 1.00 0.00 O flip ATOM 584 ND2 ASN A 40 13.287 15.302 8.214 1.00 0.00 N flip ATOM 0 H ASN A 40 17.785 16.198 7.230 1.00 0.00 H new ATOM 0 HA ASN A 40 15.583 16.323 7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 40 15.851 14.224 8.837 1.00 0.00 H new ATOM 0 HB3 ASN A 40 15.829 15.244 10.262 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.730 15.362 7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.271 15.352 8.294 1.00 0.00 H new ATOM 591 N GLY A 41 16.946 18.457 9.204 1.00 0.00 N ATOM 592 CA GLY A 41 16.977 19.697 9.910 1.00 0.00 C ATOM 593 C GLY A 41 17.946 19.716 11.097 1.00 0.00 C ATOM 594 O GLY A 41 18.183 20.768 11.696 1.00 0.00 O ATOM 0 H GLY A 41 17.854 18.203 8.815 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.253 20.491 9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.973 19.923 10.270 1.00 0.00 H new ATOM 598 N TYR A 42 18.483 18.557 11.457 1.00 0.00 N ATOM 599 CA TYR A 42 19.405 18.400 12.563 1.00 0.00 C ATOM 600 C TYR A 42 20.796 18.877 12.169 1.00 0.00 C ATOM 601 O TYR A 42 21.055 19.193 11.008 1.00 0.00 O ATOM 602 CB TYR A 42 19.421 16.923 12.954 1.00 0.00 C ATOM 603 CG TYR A 42 18.145 16.455 13.622 1.00 0.00 C ATOM 604 CD1 TYR A 42 16.916 16.392 12.938 1.00 0.00 C ATOM 605 CD2 TYR A 42 18.192 16.032 14.949 1.00 0.00 C ATOM 606 CE1 TYR A 42 15.768 15.869 13.553 1.00 0.00 C ATOM 607 CE2 TYR A 42 17.033 15.572 15.586 1.00 0.00 C ATOM 608 CZ TYR A 42 15.826 15.493 14.897 1.00 0.00 C ATOM 609 OH TYR A 42 14.708 15.196 15.572 1.00 0.00 O ATOM 0 H TYR A 42 18.281 17.682 10.973 1.00 0.00 H new ATOM 0 HA TYR A 42 19.086 19.004 13.413 1.00 0.00 H new ATOM 0 HB2 TYR A 42 19.595 16.322 12.061 1.00 0.00 H new ATOM 0 HB3 TYR A 42 20.260 16.744 13.627 1.00 0.00 H new ATOM 0 HD1 TYR A 42 16.856 16.753 11.922 1.00 0.00 H new ATOM 0 HD2 TYR A 42 19.127 16.059 15.489 1.00 0.00 H new ATOM 0 HE1 TYR A 42 14.851 15.759 12.994 1.00 0.00 H new ATOM 0 HE2 TYR A 42 17.076 15.275 16.624 1.00 0.00 H new ATOM 0 HH TYR A 42 14.377 14.319 15.286 1.00 0.00 H new ATOM 619 N ASP A 43 21.687 18.936 13.146 1.00 0.00 N ATOM 620 CA ASP A 43 23.079 19.302 12.892 1.00 0.00 C ATOM 621 C ASP A 43 23.923 18.065 12.612 1.00 0.00 C ATOM 622 O ASP A 43 24.809 18.089 11.767 1.00 0.00 O ATOM 623 CB ASP A 43 23.656 19.997 14.133 1.00 0.00 C ATOM 624 CG ASP A 43 23.957 21.474 13.890 1.00 0.00 C ATOM 625 OD1 ASP A 43 24.968 21.759 13.215 1.00 0.00 O ATOM 626 OD2 ASP A 43 23.148 22.298 14.377 1.00 0.00 O ATOM 0 H ASP A 43 21.475 18.736 14.123 1.00 0.00 H new ATOM 0 HA ASP A 43 23.103 19.963 12.026 1.00 0.00 H new ATOM 0 HB2 ASP A 43 22.950 19.905 14.958 1.00 0.00 H new ATOM 0 HB3 ASP A 43 24.571 19.489 14.438 1.00 0.00 H new ATOM 631 N GLY A 44 23.660 16.980 13.342 1.00 0.00 N ATOM 632 CA GLY A 44 24.389 15.725 13.243 1.00 0.00 C ATOM 633 C GLY A 44 23.961 14.715 14.289 1.00 0.00 C ATOM 634 O GLY A 44 23.711 13.558 13.962 1.00 0.00 O ATOM 0 H GLY A 44 22.913 16.954 14.036 1.00 0.00 H new ATOM 0 HA2 GLY A 44 24.239 15.300 12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 44 25.456 15.920 13.348 1.00 0.00 H new ATOM 638 N ASP A 45 23.772 15.181 15.515 1.00 0.00 N ATOM 639 CA ASP A 45 23.353 14.337 16.631 1.00 0.00 C ATOM 640 C ASP A 45 22.222 15.015 17.392 1.00 0.00 C ATOM 641 O ASP A 45 21.095 14.522 17.444 1.00 0.00 O ATOM 642 CB ASP A 45 24.545 14.118 17.581 1.00 0.00 C ATOM 643 CG ASP A 45 24.978 12.651 17.689 1.00 0.00 C ATOM 644 OD1 ASP A 45 24.289 11.843 18.361 1.00 0.00 O ATOM 645 OD2 ASP A 45 26.060 12.337 17.169 1.00 0.00 O ATOM 0 H ASP A 45 23.905 16.160 15.768 1.00 0.00 H new ATOM 0 HA ASP A 45 23.007 13.378 16.247 1.00 0.00 H new ATOM 0 HB2 ASP A 45 25.390 14.714 17.235 1.00 0.00 H new ATOM 0 HB3 ASP A 45 24.281 14.485 18.573 1.00 0.00 H new ATOM 650 N GLY A 46 22.541 16.174 17.986 1.00 0.00 N ATOM 651 CA GLY A 46 21.584 16.950 18.750 1.00 0.00 C ATOM 652 C GLY A 46 20.386 17.280 17.886 1.00 0.00 C ATOM 653 O GLY A 46 20.506 17.352 16.662 1.00 0.00 O ATOM 0 H GLY A 46 23.471 16.590 17.944 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.267 16.389 19.629 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.050 17.868 19.108 1.00 0.00 H new ATOM 657 N LYS A 47 19.242 17.503 18.539 1.00 0.00 N ATOM 658 CA LYS A 47 18.019 17.921 17.865 1.00 0.00 C ATOM 659 C LYS A 47 18.219 19.162 16.989 1.00 0.00 C ATOM 660 O LYS A 47 19.263 19.803 17.005 1.00 0.00 O ATOM 661 CB LYS A 47 16.865 18.043 18.860 1.00 0.00 C ATOM 662 CG LYS A 47 17.224 19.022 19.987 1.00 0.00 C ATOM 663 CD LYS A 47 15.968 19.710 20.542 1.00 0.00 C ATOM 664 CE LYS A 47 15.695 19.262 21.982 1.00 0.00 C ATOM 665 NZ LYS A 47 15.973 20.365 22.930 1.00 0.00 N ATOM 0 H LYS A 47 19.142 17.398 19.549 1.00 0.00 H new ATOM 0 HA LYS A 47 17.740 17.137 17.161 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.968 18.387 18.345 1.00 0.00 H new ATOM 0 HB3 LYS A 47 16.636 17.064 19.281 1.00 0.00 H new ATOM 0 HG2 LYS A 47 17.734 18.488 20.789 1.00 0.00 H new ATOM 0 HG3 LYS A 47 17.919 19.774 19.612 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.096 20.792 20.511 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.110 19.473 19.913 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.657 18.944 22.079 1.00 0.00 H new ATOM 0 HE3 LYS A 47 16.317 18.400 22.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.783 20.044 23.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.970 20.650 22.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.362 21.176 22.707 1.00 0.00 H new ATOM 679 N LEU A 48 17.182 19.541 16.261 1.00 0.00 N ATOM 680 CA LEU A 48 17.257 20.726 15.437 1.00 0.00 C ATOM 681 C LEU A 48 17.613 21.972 16.273 1.00 0.00 C ATOM 682 O LEU A 48 17.281 22.050 17.466 1.00 0.00 O ATOM 683 CB LEU A 48 15.940 20.928 14.689 1.00 0.00 C ATOM 684 CG LEU A 48 15.687 19.871 13.623 1.00 0.00 C ATOM 685 CD1 LEU A 48 14.959 18.706 14.201 1.00 0.00 C ATOM 686 CD2 LEU A 48 14.916 20.435 12.456 1.00 0.00 C ATOM 0 H LEU A 48 16.289 19.049 16.226 1.00 0.00 H new ATOM 0 HA LEU A 48 18.056 20.585 14.709 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.118 20.917 15.405 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.943 21.913 14.222 1.00 0.00 H new ATOM 0 HG LEU A 48 16.658 19.537 13.257 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.788 17.962 13.423 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.554 18.265 15.000 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.002 19.038 14.603 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.754 19.652 11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.954 20.811 12.803 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.483 21.250 12.005 1.00 0.00 H new ATOM 698 N PRO A 49 18.299 22.944 15.654 1.00 0.00 N ATOM 699 CA PRO A 49 18.709 24.153 16.341 1.00 0.00 C ATOM 700 C PRO A 49 17.494 25.033 16.587 1.00 0.00 C ATOM 701 O PRO A 49 16.455 24.885 15.934 1.00 0.00 O ATOM 702 CB PRO A 49 19.735 24.819 15.425 1.00 0.00 C ATOM 703 CG PRO A 49 19.557 24.181 14.037 1.00 0.00 C ATOM 704 CD PRO A 49 18.680 22.954 14.250 1.00 0.00 C ATOM 0 HA PRO A 49 19.150 23.959 17.319 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.575 25.896 15.381 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.747 24.663 15.797 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.089 24.880 13.343 1.00 0.00 H new ATOM 0 HG3 PRO A 49 20.520 23.903 13.609 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.798 22.995 13.611 1.00 0.00 H new ATOM 0 HD3 PRO A 49 19.220 22.044 13.990 1.00 0.00 H new ATOM 712 N LYS A 50 17.613 25.944 17.560 1.00 0.00 N ATOM 713 CA LYS A 50 16.561 26.906 17.888 1.00 0.00 C ATOM 714 C LYS A 50 16.155 27.699 16.634 1.00 0.00 C ATOM 715 O LYS A 50 16.802 28.676 16.278 1.00 0.00 O ATOM 716 CB LYS A 50 16.993 27.777 19.079 1.00 0.00 C ATOM 717 CG LYS A 50 16.313 29.157 19.061 1.00 0.00 C ATOM 718 CD LYS A 50 16.169 29.774 20.442 1.00 0.00 C ATOM 719 CE LYS A 50 17.220 30.869 20.642 1.00 0.00 C ATOM 720 NZ LYS A 50 16.774 31.797 21.703 1.00 0.00 N ATOM 0 H LYS A 50 18.446 26.033 18.142 1.00 0.00 H new ATOM 0 HA LYS A 50 15.659 26.386 18.212 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.749 27.265 20.010 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.075 27.906 19.060 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.891 29.831 18.428 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.326 29.062 18.608 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.170 30.193 20.559 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.284 29.005 21.206 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.177 30.423 20.913 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.375 31.413 19.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.489 32.540 21.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.871 32.232 21.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.648 31.273 22.592 1.00 0.00 H new ATOM 734 N GLY A 51 15.077 27.278 15.992 1.00 0.00 N ATOM 735 CA GLY A 51 14.644 27.881 14.744 1.00 0.00 C ATOM 736 C GLY A 51 14.778 26.946 13.563 1.00 0.00 C ATOM 737 O GLY A 51 15.679 27.138 12.750 1.00 0.00 O ATOM 0 H GLY A 51 14.483 26.516 16.318 1.00 0.00 H new ATOM 0 HA2 GLY A 51 13.604 28.193 14.838 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.231 28.780 14.558 1.00 0.00 H new ATOM 741 N ARG A 52 13.880 25.962 13.471 1.00 0.00 N ATOM 742 CA ARG A 52 13.801 25.031 12.347 1.00 0.00 C ATOM 743 C ARG A 52 12.578 24.139 12.480 1.00 0.00 C ATOM 744 O ARG A 52 12.007 24.035 13.562 1.00 0.00 O ATOM 745 CB ARG A 52 15.073 24.171 12.318 1.00 0.00 C ATOM 746 CG ARG A 52 15.204 23.465 10.972 1.00 0.00 C ATOM 747 CD ARG A 52 16.652 23.079 10.727 1.00 0.00 C ATOM 748 NE ARG A 52 17.308 23.950 9.757 1.00 0.00 N ATOM 749 CZ ARG A 52 18.608 24.046 9.565 1.00 0.00 C ATOM 750 NH1 ARG A 52 19.449 23.330 10.254 1.00 0.00 N ATOM 751 NH2 ARG A 52 19.065 24.869 8.666 1.00 0.00 N ATOM 0 H ARG A 52 13.176 25.789 14.189 1.00 0.00 H new ATOM 0 HA ARG A 52 13.715 25.596 11.419 1.00 0.00 H new ATOM 0 HB2 ARG A 52 15.948 24.797 12.495 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.041 23.435 13.121 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.574 22.576 10.956 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.853 24.119 10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.198 23.115 11.670 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.695 22.049 10.372 1.00 0.00 H new ATOM 0 HE ARG A 52 16.707 24.536 9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.106 22.678 10.959 1.00 0.00 H new ATOM 0 HH12 ARG A 52 20.451 23.421 10.088 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.418 25.434 8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.070 24.949 8.512 1.00 0.00 H new ATOM 765 N THR A 53 12.207 23.481 11.392 1.00 0.00 N ATOM 766 CA THR A 53 11.081 22.571 11.369 1.00 0.00 C ATOM 767 C THR A 53 11.382 21.368 10.479 1.00 0.00 C ATOM 768 O THR A 53 11.579 21.532 9.275 1.00 0.00 O ATOM 769 CB THR A 53 9.820 23.335 10.983 1.00 0.00 C ATOM 770 OG1 THR A 53 9.295 23.911 12.158 1.00 0.00 O ATOM 771 CG2 THR A 53 8.726 22.461 10.399 1.00 0.00 C ATOM 0 H THR A 53 12.685 23.567 10.495 1.00 0.00 H new ATOM 0 HA THR A 53 10.903 22.158 12.362 1.00 0.00 H new ATOM 0 HB THR A 53 10.108 24.060 10.222 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.013 24.025 12.815 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.862 23.077 10.150 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.094 21.971 9.498 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.435 21.706 11.129 1.00 0.00 H new ATOM 779 N PRO A 54 11.555 20.182 11.082 1.00 0.00 N ATOM 780 CA PRO A 54 11.810 18.964 10.337 1.00 0.00 C ATOM 781 C PRO A 54 10.549 18.470 9.618 1.00 0.00 C ATOM 782 O PRO A 54 9.455 19.035 9.709 1.00 0.00 O ATOM 783 CB PRO A 54 12.286 17.951 11.377 1.00 0.00 C ATOM 784 CG PRO A 54 11.810 18.481 12.728 1.00 0.00 C ATOM 785 CD PRO A 54 11.423 19.924 12.510 1.00 0.00 C ATOM 0 HA PRO A 54 12.551 19.121 9.554 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.872 16.963 11.177 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.371 17.852 11.357 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.962 17.903 13.094 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.598 18.400 13.476 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.401 20.105 12.843 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.068 20.589 13.085 1.00 0.00 H new ATOM 793 N ILE A 55 10.701 17.371 8.888 1.00 0.00 N ATOM 794 CA ILE A 55 9.597 16.794 8.133 1.00 0.00 C ATOM 795 C ILE A 55 8.860 15.826 9.037 1.00 0.00 C ATOM 796 O ILE A 55 9.453 14.904 9.569 1.00 0.00 O ATOM 797 CB ILE A 55 10.124 16.169 6.839 1.00 0.00 C ATOM 798 CG1 ILE A 55 10.950 17.216 6.060 1.00 0.00 C ATOM 799 CG2 ILE A 55 8.918 15.686 6.036 1.00 0.00 C ATOM 800 CD1 ILE A 55 11.098 16.862 4.585 1.00 0.00 C ATOM 0 H ILE A 55 11.580 16.861 8.803 1.00 0.00 H new ATOM 0 HA ILE A 55 8.879 17.552 7.819 1.00 0.00 H new ATOM 0 HB ILE A 55 10.782 15.324 7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.472 18.191 6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.939 17.303 6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.259 15.234 5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.366 14.948 6.617 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.268 16.532 5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.687 17.630 4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.601 15.900 4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.112 16.802 4.124 1.00 0.00 H new ATOM 812 N LYS A 56 7.584 16.059 9.307 1.00 0.00 N ATOM 813 CA LYS A 56 6.795 15.138 10.112 1.00 0.00 C ATOM 814 C LYS A 56 6.293 14.006 9.225 1.00 0.00 C ATOM 815 O LYS A 56 5.688 14.233 8.184 1.00 0.00 O ATOM 816 CB LYS A 56 5.671 15.937 10.775 1.00 0.00 C ATOM 817 CG LYS A 56 4.711 15.023 11.561 1.00 0.00 C ATOM 818 CD LYS A 56 4.991 15.033 13.072 1.00 0.00 C ATOM 819 CE LYS A 56 3.765 15.558 13.822 1.00 0.00 C ATOM 820 NZ LYS A 56 2.671 14.558 13.800 1.00 0.00 N ATOM 0 H LYS A 56 7.072 16.879 8.980 1.00 0.00 H new ATOM 0 HA LYS A 56 7.384 14.674 10.903 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.100 16.679 11.448 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.113 16.482 10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.684 15.342 11.383 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.797 14.003 11.186 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.234 14.027 13.413 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.856 15.660 13.287 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.034 15.788 14.853 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.424 16.488 13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.860 14.918 14.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.380 14.384 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.004 13.669 14.225 1.00 0.00 H new ATOM 834 N PHE A 57 6.414 12.788 9.730 1.00 0.00 N ATOM 835 CA PHE A 57 5.986 11.587 9.031 1.00 0.00 C ATOM 836 C PHE A 57 4.876 10.894 9.794 1.00 0.00 C ATOM 837 O PHE A 57 3.884 10.485 9.207 1.00 0.00 O ATOM 838 CB PHE A 57 7.190 10.671 8.896 1.00 0.00 C ATOM 839 CG PHE A 57 8.480 11.368 8.507 1.00 0.00 C ATOM 840 CD1 PHE A 57 8.827 11.482 7.161 1.00 0.00 C ATOM 841 CD2 PHE A 57 9.373 11.833 9.484 1.00 0.00 C ATOM 842 CE1 PHE A 57 10.033 12.097 6.765 1.00 0.00 C ATOM 843 CE2 PHE A 57 10.590 12.425 9.090 1.00 0.00 C ATOM 844 CZ PHE A 57 10.897 12.597 7.736 1.00 0.00 C ATOM 0 H PHE A 57 6.817 12.604 10.649 1.00 0.00 H new ATOM 0 HA PHE A 57 5.596 11.845 8.046 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.344 10.155 9.844 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.967 9.908 8.150 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.159 11.092 6.407 1.00 0.00 H new ATOM 0 HD2 PHE A 57 9.129 11.738 10.532 1.00 0.00 H new ATOM 0 HE1 PHE A 57 10.284 12.179 5.718 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.294 12.750 9.842 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.799 13.115 7.445 1.00 0.00 H new ATOM 854 N GLY A 58 5.044 10.785 11.109 1.00 0.00 N ATOM 855 CA GLY A 58 4.117 10.081 11.973 1.00 0.00 C ATOM 856 C GLY A 58 4.784 8.961 12.758 1.00 0.00 C ATOM 857 O GLY A 58 4.120 8.333 13.572 1.00 0.00 O ATOM 0 H GLY A 58 5.838 11.190 11.605 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.666 10.788 12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.309 9.666 11.371 1.00 0.00 H new ATOM 861 N LYS A 59 6.073 8.699 12.518 1.00 0.00 N ATOM 862 CA LYS A 59 6.838 7.700 13.249 1.00 0.00 C ATOM 863 C LYS A 59 7.705 8.374 14.283 1.00 0.00 C ATOM 864 O LYS A 59 8.315 9.392 13.978 1.00 0.00 O ATOM 865 CB LYS A 59 7.627 6.854 12.244 1.00 0.00 C ATOM 866 CG LYS A 59 6.689 5.812 11.613 1.00 0.00 C ATOM 867 CD LYS A 59 7.117 5.468 10.185 1.00 0.00 C ATOM 868 CE LYS A 59 5.949 4.890 9.378 1.00 0.00 C ATOM 869 NZ LYS A 59 6.328 3.599 8.766 1.00 0.00 N ATOM 0 H LYS A 59 6.614 9.183 11.802 1.00 0.00 H new ATOM 0 HA LYS A 59 6.182 7.024 13.798 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.054 7.492 11.470 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.459 6.357 12.743 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.686 4.908 12.221 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.669 6.195 11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.496 6.363 9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.935 4.748 10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.085 4.751 10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.653 5.594 8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.483 3.142 8.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.021 3.764 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.747 2.981 9.490 1.00 0.00 H new ATOM 883 N SER A 60 7.776 7.765 15.462 1.00 0.00 N ATOM 884 CA SER A 60 8.647 8.246 16.529 1.00 0.00 C ATOM 885 C SER A 60 10.102 7.828 16.288 1.00 0.00 C ATOM 886 O SER A 60 10.985 8.105 17.082 1.00 0.00 O ATOM 887 CB SER A 60 8.139 7.716 17.873 1.00 0.00 C ATOM 888 OG SER A 60 8.908 8.171 18.969 1.00 0.00 O ATOM 0 H SER A 60 7.238 6.933 15.704 1.00 0.00 H new ATOM 0 HA SER A 60 8.624 9.336 16.542 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.102 8.023 18.011 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.149 6.626 17.856 1.00 0.00 H new ATOM 0 HG SER A 60 9.811 8.397 18.663 1.00 0.00 H new ATOM 894 N ASP A 61 10.377 7.101 15.209 1.00 0.00 N ATOM 895 CA ASP A 61 11.712 6.653 14.861 1.00 0.00 C ATOM 896 C ASP A 61 12.401 7.722 14.039 1.00 0.00 C ATOM 897 O ASP A 61 13.520 8.099 14.360 1.00 0.00 O ATOM 898 CB ASP A 61 11.661 5.382 14.016 1.00 0.00 C ATOM 899 CG ASP A 61 11.126 4.181 14.779 1.00 0.00 C ATOM 900 OD1 ASP A 61 11.789 3.821 15.777 1.00 0.00 O ATOM 901 OD2 ASP A 61 10.046 3.699 14.370 1.00 0.00 O ATOM 0 H ASP A 61 9.663 6.804 14.544 1.00 0.00 H new ATOM 0 HA ASP A 61 12.252 6.456 15.787 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.034 5.559 13.142 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.662 5.156 13.650 1.00 0.00 H new ATOM 906 N CYS A 62 11.735 8.192 12.982 1.00 0.00 N ATOM 907 CA CYS A 62 12.284 9.227 12.126 1.00 0.00 C ATOM 908 C CYS A 62 12.234 10.570 12.849 1.00 0.00 C ATOM 909 O CYS A 62 13.131 11.382 12.675 1.00 0.00 O ATOM 910 CB CYS A 62 11.495 9.321 10.812 1.00 0.00 C ATOM 911 SG CYS A 62 10.857 7.760 10.169 1.00 0.00 S ATOM 0 H CYS A 62 10.810 7.865 12.703 1.00 0.00 H new ATOM 0 HA CYS A 62 13.318 8.972 11.893 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.656 10.001 10.961 1.00 0.00 H new ATOM 0 HB3 CYS A 62 12.138 9.769 10.055 1.00 0.00 H new ATOM 916 N ASP A 63 11.180 10.791 13.647 1.00 0.00 N ATOM 917 CA ASP A 63 11.068 11.997 14.466 1.00 0.00 C ATOM 918 C ASP A 63 12.184 12.073 15.498 1.00 0.00 C ATOM 919 O ASP A 63 12.703 13.140 15.803 1.00 0.00 O ATOM 920 CB ASP A 63 9.739 11.984 15.223 1.00 0.00 C ATOM 921 CG ASP A 63 9.565 13.201 16.141 1.00 0.00 C ATOM 922 OD1 ASP A 63 9.840 14.332 15.698 1.00 0.00 O ATOM 923 OD2 ASP A 63 9.008 12.985 17.241 1.00 0.00 O ATOM 0 H ASP A 63 10.394 10.147 13.740 1.00 0.00 H new ATOM 0 HA ASP A 63 11.133 12.854 13.796 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.918 11.955 14.506 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.674 11.073 15.819 1.00 0.00 H new ATOM 928 N ARG A 64 12.561 10.921 16.052 1.00 0.00 N ATOM 929 CA ARG A 64 13.642 10.887 17.004 1.00 0.00 C ATOM 930 C ARG A 64 14.905 11.578 16.486 1.00 0.00 C ATOM 931 O ARG A 64 15.199 11.602 15.291 1.00 0.00 O ATOM 932 CB ARG A 64 13.921 9.446 17.389 1.00 0.00 C ATOM 933 CG ARG A 64 15.241 8.844 16.894 1.00 0.00 C ATOM 934 CD ARG A 64 15.499 7.390 17.258 1.00 0.00 C ATOM 935 NE ARG A 64 14.315 6.667 17.721 1.00 0.00 N ATOM 936 CZ ARG A 64 13.804 6.751 18.937 1.00 0.00 C ATOM 937 NH1 ARG A 64 14.415 7.402 19.898 1.00 0.00 N ATOM 938 NH2 ARG A 64 12.657 6.212 19.206 1.00 0.00 N ATOM 0 H ARG A 64 12.133 10.017 15.854 1.00 0.00 H new ATOM 0 HA ARG A 64 13.335 11.449 17.886 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.901 9.374 18.476 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.104 8.829 17.014 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.272 8.935 15.808 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.060 9.446 17.288 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.907 6.876 16.387 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.261 7.352 18.036 1.00 0.00 H new ATOM 0 HE ARG A 64 13.848 6.051 17.055 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.308 7.860 19.716 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.997 7.450 20.827 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.142 5.719 18.477 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.269 6.281 20.147 1.00 0.00 H new ATOM 952 N PRO A 65 15.799 11.919 17.423 1.00 0.00 N ATOM 953 CA PRO A 65 17.086 12.444 17.054 1.00 0.00 C ATOM 954 C PRO A 65 18.044 11.407 16.420 1.00 0.00 C ATOM 955 O PRO A 65 18.206 10.291 16.935 1.00 0.00 O ATOM 956 CB PRO A 65 17.656 13.061 18.319 1.00 0.00 C ATOM 957 CG PRO A 65 16.892 12.411 19.477 1.00 0.00 C ATOM 958 CD PRO A 65 15.695 11.703 18.857 1.00 0.00 C ATOM 0 HA PRO A 65 16.970 13.180 16.258 1.00 0.00 H new ATOM 0 HB2 PRO A 65 18.726 12.870 18.400 1.00 0.00 H new ATOM 0 HB3 PRO A 65 17.524 14.143 18.321 1.00 0.00 H new ATOM 0 HG2 PRO A 65 17.526 11.705 20.013 1.00 0.00 H new ATOM 0 HG3 PRO A 65 16.569 13.161 20.199 1.00 0.00 H new ATOM 0 HD2 PRO A 65 15.706 10.639 19.093 1.00 0.00 H new ATOM 0 HD3 PRO A 65 14.760 12.106 19.245 1.00 0.00 H new ATOM 966 N PRO A 66 18.697 11.745 15.296 1.00 0.00 N ATOM 967 CA PRO A 66 19.650 10.876 14.645 1.00 0.00 C ATOM 968 C PRO A 66 20.942 10.783 15.452 1.00 0.00 C ATOM 969 O PRO A 66 21.174 11.507 16.415 1.00 0.00 O ATOM 970 CB PRO A 66 19.882 11.489 13.266 1.00 0.00 C ATOM 971 CG PRO A 66 19.418 12.949 13.342 1.00 0.00 C ATOM 972 CD PRO A 66 18.632 13.031 14.637 1.00 0.00 C ATOM 0 HA PRO A 66 19.282 9.853 14.562 1.00 0.00 H new ATOM 0 HB2 PRO A 66 20.935 11.433 12.991 1.00 0.00 H new ATOM 0 HB3 PRO A 66 19.324 10.946 12.503 1.00 0.00 H new ATOM 0 HG2 PRO A 66 20.265 13.635 13.348 1.00 0.00 H new ATOM 0 HG3 PRO A 66 18.799 13.214 12.485 1.00 0.00 H new ATOM 0 HD2 PRO A 66 19.044 13.808 15.281 1.00 0.00 H new ATOM 0 HD3 PRO A 66 17.596 13.301 14.434 1.00 0.00 H new ATOM 980 N LYS A 67 21.777 9.824 15.071 1.00 0.00 N ATOM 981 CA LYS A 67 23.064 9.629 15.734 1.00 0.00 C ATOM 982 C LYS A 67 24.150 9.629 14.683 1.00 0.00 C ATOM 983 O LYS A 67 24.825 8.643 14.541 1.00 0.00 O ATOM 984 CB LYS A 67 22.993 8.379 16.631 1.00 0.00 C ATOM 985 CG LYS A 67 24.368 8.014 17.243 1.00 0.00 C ATOM 986 CD LYS A 67 24.386 8.213 18.742 1.00 0.00 C ATOM 987 CE LYS A 67 25.756 7.805 19.290 1.00 0.00 C ATOM 988 NZ LYS A 67 25.652 7.537 20.740 1.00 0.00 N ATOM 0 H LYS A 67 21.589 9.171 14.310 1.00 0.00 H new ATOM 0 HA LYS A 67 23.314 10.443 16.414 1.00 0.00 H new ATOM 0 HB2 LYS A 67 22.275 8.551 17.433 1.00 0.00 H new ATOM 0 HB3 LYS A 67 22.623 7.536 16.047 1.00 0.00 H new ATOM 0 HG2 LYS A 67 24.605 6.976 17.011 1.00 0.00 H new ATOM 0 HG3 LYS A 67 25.144 8.628 16.785 1.00 0.00 H new ATOM 0 HD2 LYS A 67 24.180 9.256 18.984 1.00 0.00 H new ATOM 0 HD3 LYS A 67 23.602 7.617 19.209 1.00 0.00 H new ATOM 0 HE2 LYS A 67 26.116 6.917 18.771 1.00 0.00 H new ATOM 0 HE3 LYS A 67 26.482 8.597 19.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 26.584 7.260 21.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 25.327 8.395 21.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.972 6.767 20.903 1.00 0.00 H new ATOM 1002 N HIS A 68 24.240 10.630 13.826 1.00 0.00 N ATOM 1003 CA HIS A 68 25.316 10.643 12.831 1.00 0.00 C ATOM 1004 C HIS A 68 26.661 11.024 13.467 1.00 0.00 C ATOM 1005 O HIS A 68 26.737 11.634 14.516 1.00 0.00 O ATOM 1006 CB HIS A 68 24.873 11.588 11.714 1.00 0.00 C ATOM 1007 CG HIS A 68 25.832 11.681 10.580 1.00 0.00 C ATOM 1008 ND1 HIS A 68 26.913 12.544 10.543 1.00 0.00 N ATOM 1009 CD2 HIS A 68 25.802 10.951 9.428 1.00 0.00 C ATOM 1010 CE1 HIS A 68 27.550 12.337 9.379 1.00 0.00 C ATOM 1011 NE2 HIS A 68 26.901 11.364 8.715 1.00 0.00 N ATOM 0 H HIS A 68 23.605 11.427 13.791 1.00 0.00 H new ATOM 0 HA HIS A 68 25.487 9.651 12.412 1.00 0.00 H new ATOM 0 HB2 HIS A 68 23.908 11.255 11.333 1.00 0.00 H new ATOM 0 HB3 HIS A 68 24.724 12.583 12.133 1.00 0.00 H new ATOM 0 HD2 HIS A 68 25.072 10.209 9.139 1.00 0.00 H new ATOM 0 HE1 HIS A 68 28.430 12.861 9.036 1.00 0.00 H new ATOM 0 HE2 HIS A 68 27.184 10.987 7.811 1.00 0.00 H new ATOM 1020 N SER A 69 27.760 10.783 12.772 1.00 0.00 N ATOM 1021 CA SER A 69 29.094 11.160 13.220 1.00 0.00 C ATOM 1022 C SER A 69 30.061 11.262 12.044 1.00 0.00 C ATOM 1023 O SER A 69 29.654 11.339 10.889 1.00 0.00 O ATOM 1024 CB SER A 69 29.558 10.146 14.276 1.00 0.00 C ATOM 1025 OG SER A 69 30.332 9.116 13.691 1.00 0.00 O ATOM 0 H SER A 69 27.752 10.313 11.867 1.00 0.00 H new ATOM 0 HA SER A 69 29.071 12.151 13.674 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.144 10.656 15.040 1.00 0.00 H new ATOM 0 HB3 SER A 69 28.691 9.714 14.775 1.00 0.00 H new ATOM 0 HG SER A 69 30.616 8.485 14.385 1.00 0.00 H new ATOM 1031 N LYS A 70 31.352 11.356 12.312 1.00 0.00 N ATOM 1032 CA LYS A 70 32.363 11.286 11.272 1.00 0.00 C ATOM 1033 C LYS A 70 32.655 9.852 10.829 1.00 0.00 C ATOM 1034 O LYS A 70 33.661 9.299 11.236 1.00 0.00 O ATOM 1035 CB LYS A 70 33.603 12.025 11.790 1.00 0.00 C ATOM 1036 CG LYS A 70 33.827 13.267 10.930 1.00 0.00 C ATOM 1037 CD LYS A 70 33.144 14.494 11.549 1.00 0.00 C ATOM 1038 CE LYS A 70 34.151 15.277 12.406 1.00 0.00 C ATOM 1039 NZ LYS A 70 33.791 15.216 13.842 1.00 0.00 N ATOM 0 H LYS A 70 31.727 11.482 13.252 1.00 0.00 H new ATOM 0 HA LYS A 70 32.003 11.770 10.364 1.00 0.00 H new ATOM 0 HB2 LYS A 70 33.466 12.308 12.834 1.00 0.00 H new ATOM 0 HB3 LYS A 70 34.476 11.374 11.748 1.00 0.00 H new ATOM 0 HG2 LYS A 70 34.896 13.455 10.827 1.00 0.00 H new ATOM 0 HG3 LYS A 70 33.435 13.095 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 70 32.747 15.135 10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 70 32.299 14.180 12.161 1.00 0.00 H new ATOM 0 HE2 LYS A 70 35.151 14.869 12.261 1.00 0.00 H new ATOM 0 HE3 LYS A 70 34.180 16.316 12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 34.487 15.753 14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 32.846 15.627 13.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 33.787 14.225 14.157 1.00 0.00 H new ATOM 1053 N ASP A 71 31.771 9.274 10.023 1.00 0.00 N ATOM 1054 CA ASP A 71 31.941 7.921 9.482 1.00 0.00 C ATOM 1055 C ASP A 71 30.785 7.578 8.555 1.00 0.00 C ATOM 1056 O ASP A 71 30.980 7.040 7.465 1.00 0.00 O ATOM 1057 CB ASP A 71 31.971 6.889 10.634 1.00 0.00 C ATOM 1058 CG ASP A 71 33.323 6.176 10.792 1.00 0.00 C ATOM 1059 OD1 ASP A 71 34.328 6.583 10.167 1.00 0.00 O ATOM 1060 OD2 ASP A 71 33.309 5.162 11.524 1.00 0.00 O ATOM 0 H ASP A 71 30.910 9.730 9.722 1.00 0.00 H new ATOM 0 HA ASP A 71 32.880 7.889 8.929 1.00 0.00 H new ATOM 0 HB2 ASP A 71 31.726 7.394 11.568 1.00 0.00 H new ATOM 0 HB3 ASP A 71 31.195 6.143 10.462 1.00 0.00 H new ATOM 1065 N GLY A 72 29.578 7.904 9.019 1.00 0.00 N ATOM 1066 CA GLY A 72 28.361 7.641 8.298 1.00 0.00 C ATOM 1067 C GLY A 72 27.466 6.687 9.054 1.00 0.00 C ATOM 1068 O GLY A 72 26.423 7.096 9.539 1.00 0.00 O ATOM 0 H GLY A 72 29.431 8.363 9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 72 27.831 8.577 8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 72 28.599 7.221 7.321 1.00 0.00 H new ATOM 1072 N ASN A 73 27.886 5.432 9.152 1.00 0.00 N ATOM 1073 CA ASN A 73 27.145 4.337 9.755 1.00 0.00 C ATOM 1074 C ASN A 73 28.060 3.668 10.749 1.00 0.00 C ATOM 1075 O ASN A 73 28.411 2.519 10.537 1.00 0.00 O ATOM 1076 CB ASN A 73 26.653 3.316 8.696 1.00 0.00 C ATOM 1077 CG ASN A 73 27.658 3.081 7.577 1.00 0.00 C ATOM 1078 OD1 ASN A 73 27.816 4.074 6.740 1.00 0.00 O flip ATOM 1079 ND2 ASN A 73 28.307 2.064 7.446 1.00 0.00 N flip ATOM 0 H ASN A 73 28.796 5.139 8.796 1.00 0.00 H new ATOM 0 HA ASN A 73 26.252 4.726 10.244 1.00 0.00 H new ATOM 0 HB2 ASN A 73 26.438 2.367 9.188 1.00 0.00 H new ATOM 0 HB3 ASN A 73 25.717 3.671 8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 73 28.182 1.291 8.100 1.00 0.00 H new ATOM 0 HD22 ASN A 73 28.978 1.982 6.682 1.00 0.00 H new ATOM 1086 N GLY A 74 28.510 4.405 11.763 1.00 0.00 N ATOM 1087 CA GLY A 74 29.397 3.864 12.787 1.00 0.00 C ATOM 1088 C GLY A 74 28.793 2.661 13.524 1.00 0.00 C ATOM 1089 O GLY A 74 28.756 1.534 13.045 1.00 0.00 O ATOM 0 H GLY A 74 28.271 5.388 11.896 1.00 0.00 H new ATOM 0 HA2 GLY A 74 30.338 3.566 12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 74 29.630 4.647 13.509 1.00 0.00 H new ATOM 1093 N LYS A 75 28.374 2.861 14.766 1.00 0.00 N ATOM 1094 CA LYS A 75 27.730 1.783 15.513 1.00 0.00 C ATOM 1095 C LYS A 75 26.318 1.532 14.986 1.00 0.00 C ATOM 1096 O LYS A 75 26.110 0.936 13.945 1.00 0.00 O ATOM 1097 CB LYS A 75 27.788 2.127 17.006 1.00 0.00 C ATOM 1098 CG LYS A 75 29.148 1.739 17.588 1.00 0.00 C ATOM 1099 CD LYS A 75 28.958 1.040 18.942 1.00 0.00 C ATOM 1100 CE LYS A 75 30.310 0.586 19.505 1.00 0.00 C ATOM 1101 NZ LYS A 75 30.934 -0.439 18.630 1.00 0.00 N ATOM 0 H LYS A 75 28.465 3.742 15.273 1.00 0.00 H new ATOM 0 HA LYS A 75 28.257 0.839 15.374 1.00 0.00 H new ATOM 0 HB2 LYS A 75 27.616 3.194 17.147 1.00 0.00 H new ATOM 0 HB3 LYS A 75 26.994 1.603 17.538 1.00 0.00 H new ATOM 0 HG2 LYS A 75 29.673 1.078 16.898 1.00 0.00 H new ATOM 0 HG3 LYS A 75 29.767 2.628 17.712 1.00 0.00 H new ATOM 0 HD2 LYS A 75 28.474 1.719 19.644 1.00 0.00 H new ATOM 0 HD3 LYS A 75 28.299 0.180 18.825 1.00 0.00 H new ATOM 0 HE2 LYS A 75 30.976 1.444 19.598 1.00 0.00 H new ATOM 0 HE3 LYS A 75 30.173 0.179 20.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 31.694 -0.923 19.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 30.215 -1.133 18.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 31.330 0.020 17.785 1.00 0.00 H new ATOM 1115 N THR A 76 25.327 1.974 15.737 1.00 0.00 N ATOM 1116 CA THR A 76 23.931 1.826 15.368 1.00 0.00 C ATOM 1117 C THR A 76 23.342 3.146 14.924 1.00 0.00 C ATOM 1118 O THR A 76 22.129 3.306 14.948 1.00 0.00 O ATOM 1119 CB THR A 76 23.161 1.156 16.507 1.00 0.00 C ATOM 1120 OG1 THR A 76 22.353 0.178 15.899 1.00 0.00 O ATOM 1121 CG2 THR A 76 22.292 2.078 17.377 1.00 0.00 C ATOM 0 H THR A 76 25.469 2.450 16.628 1.00 0.00 H new ATOM 0 HA THR A 76 23.847 1.168 14.503 1.00 0.00 H new ATOM 0 HB THR A 76 23.894 0.761 17.211 1.00 0.00 H new ATOM 0 HG1 THR A 76 21.833 -0.290 16.585 1.00 0.00 H new ATOM 0 HG21 THR A 76 21.797 1.489 18.149 1.00 0.00 H new ATOM 0 HG22 THR A 76 22.921 2.835 17.846 1.00 0.00 H new ATOM 0 HG23 THR A 76 21.541 2.565 16.754 1.00 0.00 H new ATOM 1129 N ASP A 77 24.183 4.125 14.600 1.00 0.00 N ATOM 1130 CA ASP A 77 23.801 5.472 14.219 1.00 0.00 C ATOM 1131 C ASP A 77 22.469 5.498 13.500 1.00 0.00 C ATOM 1132 O ASP A 77 22.399 5.143 12.348 1.00 0.00 O ATOM 1133 CB ASP A 77 24.855 6.075 13.291 1.00 0.00 C ATOM 1134 CG ASP A 77 26.228 6.307 13.931 1.00 0.00 C ATOM 1135 OD1 ASP A 77 26.479 5.716 15.016 1.00 0.00 O ATOM 1136 OD2 ASP A 77 27.038 7.010 13.291 1.00 0.00 O ATOM 0 H ASP A 77 25.194 3.989 14.597 1.00 0.00 H new ATOM 0 HA ASP A 77 23.719 6.052 15.139 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.979 5.417 12.431 1.00 0.00 H new ATOM 0 HB3 ASP A 77 24.482 7.027 12.913 1.00 0.00 H new ATOM 1141 N HIS A 78 21.363 5.812 14.160 1.00 0.00 N ATOM 1142 CA HIS A 78 20.026 5.665 13.583 1.00 0.00 C ATOM 1143 C HIS A 78 19.728 6.917 12.783 1.00 0.00 C ATOM 1144 O HIS A 78 18.732 7.588 13.014 1.00 0.00 O ATOM 1145 CB HIS A 78 18.991 5.338 14.669 1.00 0.00 C ATOM 1146 CG HIS A 78 19.187 6.100 15.957 1.00 0.00 C ATOM 1147 ND1 HIS A 78 20.116 5.848 16.936 1.00 0.00 N flip ATOM 1148 CD2 HIS A 78 18.446 7.203 16.320 1.00 0.00 C flip ATOM 1149 CE1 HIS A 78 19.909 6.785 17.928 1.00 0.00 C flip ATOM 1150 NE2 HIS A 78 18.887 7.583 17.536 1.00 0.00 N flip ATOM 0 H HIS A 78 21.363 6.177 15.113 1.00 0.00 H new ATOM 0 HA HIS A 78 19.975 4.816 12.901 1.00 0.00 H new ATOM 0 HB2 HIS A 78 17.995 5.551 14.282 1.00 0.00 H new ATOM 0 HB3 HIS A 78 19.029 4.270 14.882 1.00 0.00 H new ATOM 0 HD2 HIS A 78 17.663 7.672 15.742 1.00 0.00 H new ATOM 0 HE1 HIS A 78 20.463 6.867 18.852 1.00 0.00 H new ATOM 0 HE2 HIS A 78 18.507 8.357 18.081 1.00 0.00 H new ATOM 1159 N TYR A 79 20.709 7.354 12.009 1.00 0.00 N ATOM 1160 CA TYR A 79 20.640 8.523 11.183 1.00 0.00 C ATOM 1161 C TYR A 79 19.683 8.310 10.011 1.00 0.00 C ATOM 1162 O TYR A 79 19.669 7.254 9.385 1.00 0.00 O ATOM 1163 CB TYR A 79 22.054 8.855 10.727 1.00 0.00 C ATOM 1164 CG TYR A 79 22.638 7.884 9.720 1.00 0.00 C ATOM 1165 CD1 TYR A 79 22.450 8.021 8.339 1.00 0.00 C ATOM 1166 CD2 TYR A 79 23.322 6.764 10.176 1.00 0.00 C ATOM 1167 CE1 TYR A 79 22.962 7.052 7.456 1.00 0.00 C ATOM 1168 CE2 TYR A 79 23.812 5.773 9.318 1.00 0.00 C ATOM 1169 CZ TYR A 79 23.661 5.939 7.944 1.00 0.00 C ATOM 1170 OH TYR A 79 24.138 5.013 7.096 1.00 0.00 O ATOM 0 H TYR A 79 21.607 6.875 11.945 1.00 0.00 H new ATOM 0 HA TYR A 79 20.239 9.367 11.744 1.00 0.00 H new ATOM 0 HB2 TYR A 79 22.056 9.854 10.291 1.00 0.00 H new ATOM 0 HB3 TYR A 79 22.705 8.887 11.601 1.00 0.00 H new ATOM 0 HD1 TYR A 79 21.911 8.872 7.951 1.00 0.00 H new ATOM 0 HD2 TYR A 79 23.482 6.653 11.238 1.00 0.00 H new ATOM 0 HE1 TYR A 79 22.815 7.167 6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 79 24.299 4.894 9.715 1.00 0.00 H new ATOM 0 HH TYR A 79 23.561 4.966 6.305 1.00 0.00 H new ATOM 1180 N LEU A 80 18.832 9.295 9.745 1.00 0.00 N ATOM 1181 CA LEU A 80 17.915 9.195 8.614 1.00 0.00 C ATOM 1182 C LEU A 80 18.708 9.330 7.333 1.00 0.00 C ATOM 1183 O LEU A 80 19.656 10.090 7.299 1.00 0.00 O ATOM 1184 CB LEU A 80 16.839 10.287 8.755 1.00 0.00 C ATOM 1185 CG LEU A 80 15.515 9.675 9.203 1.00 0.00 C ATOM 1186 CD1 LEU A 80 14.583 10.762 9.728 1.00 0.00 C ATOM 1187 CD2 LEU A 80 14.857 8.949 8.043 1.00 0.00 C ATOM 0 H LEU A 80 18.757 10.157 10.285 1.00 0.00 H new ATOM 0 HA LEU A 80 17.410 8.229 8.592 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.164 11.035 9.478 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.706 10.800 7.803 1.00 0.00 H new ATOM 0 HG LEU A 80 15.713 8.962 10.003 1.00 0.00 H new ATOM 0 HD11 LEU A 80 13.642 10.313 10.044 1.00 0.00 H new ATOM 0 HD12 LEU A 80 15.049 11.263 10.576 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.391 11.489 8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.913 8.516 8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 80 14.669 9.653 7.232 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.516 8.156 7.689 1.00 0.00 H new ATOM 1199 N LEU A 81 18.366 8.604 6.287 1.00 0.00 N ATOM 1200 CA LEU A 81 19.020 8.705 5.002 1.00 0.00 C ATOM 1201 C LEU A 81 17.968 8.687 3.915 1.00 0.00 C ATOM 1202 O LEU A 81 17.009 7.918 3.983 1.00 0.00 O ATOM 1203 CB LEU A 81 20.070 7.593 4.918 1.00 0.00 C ATOM 1204 CG LEU A 81 20.456 7.202 3.482 1.00 0.00 C ATOM 1205 CD1 LEU A 81 21.935 6.912 3.402 1.00 0.00 C ATOM 1206 CD2 LEU A 81 19.678 6.013 3.023 1.00 0.00 C ATOM 0 H LEU A 81 17.613 7.916 6.309 1.00 0.00 H new ATOM 0 HA LEU A 81 19.557 9.644 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 81 20.966 7.913 5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 81 19.692 6.711 5.434 1.00 0.00 H new ATOM 0 HG LEU A 81 20.219 8.040 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.197 6.636 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.496 7.800 3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 81 22.182 6.090 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 81 19.971 5.758 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.882 5.169 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 81 18.613 6.243 3.048 1.00 0.00 H new ATOM 1218 N GLU A 82 18.141 9.557 2.932 1.00 0.00 N ATOM 1219 CA GLU A 82 17.245 9.586 1.794 1.00 0.00 C ATOM 1220 C GLU A 82 17.817 8.871 0.580 1.00 0.00 C ATOM 1221 O GLU A 82 19.031 8.730 0.446 1.00 0.00 O ATOM 1222 CB GLU A 82 16.923 11.037 1.453 1.00 0.00 C ATOM 1223 CG GLU A 82 18.071 11.797 0.886 1.00 0.00 C ATOM 1224 CD GLU A 82 18.825 12.521 1.984 1.00 0.00 C ATOM 1225 OE1 GLU A 82 19.804 11.950 2.451 1.00 0.00 O ATOM 1226 OE2 GLU A 82 18.511 13.729 2.165 1.00 0.00 O ATOM 0 H GLU A 82 18.891 10.248 2.902 1.00 0.00 H new ATOM 0 HA GLU A 82 16.336 9.051 2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.100 11.057 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.576 11.542 2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.743 11.116 0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.711 12.516 0.150 1.00 0.00 H new ATOM 1233 N PHE A 83 16.990 8.640 -0.432 1.00 0.00 N ATOM 1234 CA PHE A 83 17.422 7.963 -1.645 1.00 0.00 C ATOM 1235 C PHE A 83 16.551 8.268 -2.869 1.00 0.00 C ATOM 1236 O PHE A 83 15.328 8.203 -2.775 1.00 0.00 O ATOM 1237 CB PHE A 83 17.374 6.471 -1.405 1.00 0.00 C ATOM 1238 CG PHE A 83 17.883 5.641 -2.539 1.00 0.00 C ATOM 1239 CD1 PHE A 83 19.259 5.594 -2.794 1.00 0.00 C ATOM 1240 CD2 PHE A 83 16.980 4.947 -3.353 1.00 0.00 C ATOM 1241 CE1 PHE A 83 19.776 4.840 -3.852 1.00 0.00 C ATOM 1242 CE2 PHE A 83 17.500 4.194 -4.407 1.00 0.00 C ATOM 1243 CZ PHE A 83 18.872 4.128 -4.636 1.00 0.00 C ATOM 0 H PHE A 83 16.008 8.915 -0.434 1.00 0.00 H new ATOM 0 HA PHE A 83 18.427 8.324 -1.862 1.00 0.00 H new ATOM 0 HB2 PHE A 83 17.957 6.241 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 83 16.344 6.183 -1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 83 19.934 6.151 -2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.916 4.993 -3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 83 20.837 4.811 -4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 83 16.827 3.653 -5.056 1.00 0.00 H new ATOM 0 HZ PHE A 83 19.243 3.510 -5.440 1.00 0.00 H new ATOM 1253 N PRO A 84 17.131 8.645 -4.013 1.00 0.00 N ATOM 1254 CA PRO A 84 16.398 9.045 -5.198 1.00 0.00 C ATOM 1255 C PRO A 84 15.763 7.830 -5.840 1.00 0.00 C ATOM 1256 O PRO A 84 16.412 7.092 -6.574 1.00 0.00 O ATOM 1257 CB PRO A 84 17.389 9.754 -6.113 1.00 0.00 C ATOM 1258 CG PRO A 84 18.766 9.339 -5.600 1.00 0.00 C ATOM 1259 CD PRO A 84 18.547 8.707 -4.239 1.00 0.00 C ATOM 0 HA PRO A 84 15.579 9.727 -4.968 1.00 0.00 H new ATOM 0 HB2 PRO A 84 17.249 9.457 -7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 84 17.261 10.836 -6.071 1.00 0.00 H new ATOM 0 HG2 PRO A 84 19.238 8.633 -6.284 1.00 0.00 H new ATOM 0 HG3 PRO A 84 19.428 10.202 -5.525 1.00 0.00 H new ATOM 0 HD2 PRO A 84 18.984 7.709 -4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 84 19.034 9.295 -3.461 1.00 0.00 H new ATOM 1267 N THR A 85 14.481 7.642 -5.555 1.00 0.00 N ATOM 1268 CA THR A 85 13.723 6.528 -6.085 1.00 0.00 C ATOM 1269 C THR A 85 12.839 6.967 -7.224 1.00 0.00 C ATOM 1270 O THR A 85 11.884 7.700 -7.038 1.00 0.00 O ATOM 1271 CB THR A 85 12.935 5.833 -4.988 1.00 0.00 C ATOM 1272 OG1 THR A 85 12.204 4.788 -5.589 1.00 0.00 O ATOM 1273 CG2 THR A 85 11.958 6.767 -4.266 1.00 0.00 C ATOM 0 H THR A 85 13.942 8.261 -4.949 1.00 0.00 H new ATOM 0 HA THR A 85 14.426 5.799 -6.487 1.00 0.00 H new ATOM 0 HB THR A 85 13.640 5.473 -4.239 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.269 5.062 -5.695 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.426 6.211 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.510 7.587 -3.807 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.242 7.169 -4.983 1.00 0.00 H new ATOM 1281 N PHE A 86 13.177 6.565 -8.435 1.00 0.00 N ATOM 1282 CA PHE A 86 12.395 6.923 -9.600 1.00 0.00 C ATOM 1283 C PHE A 86 11.170 6.018 -9.773 1.00 0.00 C ATOM 1284 O PHE A 86 11.166 4.860 -9.333 1.00 0.00 O ATOM 1285 CB PHE A 86 13.298 6.816 -10.825 1.00 0.00 C ATOM 1286 CG PHE A 86 14.492 7.725 -10.760 1.00 0.00 C ATOM 1287 CD1 PHE A 86 14.319 9.121 -10.786 1.00 0.00 C ATOM 1288 CD2 PHE A 86 15.771 7.164 -10.660 1.00 0.00 C ATOM 1289 CE1 PHE A 86 15.441 9.964 -10.716 1.00 0.00 C ATOM 1290 CE2 PHE A 86 16.881 8.024 -10.605 1.00 0.00 C ATOM 1291 CZ PHE A 86 16.717 9.404 -10.611 1.00 0.00 C ATOM 0 H PHE A 86 13.993 5.987 -8.636 1.00 0.00 H new ATOM 0 HA PHE A 86 12.022 7.940 -9.475 1.00 0.00 H new ATOM 0 HB2 PHE A 86 13.639 5.786 -10.929 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.718 7.051 -11.718 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.328 9.543 -10.859 1.00 0.00 H new ATOM 0 HD2 PHE A 86 15.902 6.092 -10.626 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.318 11.037 -10.743 1.00 0.00 H new ATOM 0 HE2 PHE A 86 17.876 7.606 -10.557 1.00 0.00 H new ATOM 0 HZ PHE A 86 17.581 10.048 -10.534 1.00 0.00 H new ATOM 1301 N PRO A 87 10.156 6.495 -10.511 1.00 0.00 N ATOM 1302 CA PRO A 87 8.957 5.721 -10.762 1.00 0.00 C ATOM 1303 C PRO A 87 9.149 4.682 -11.819 1.00 0.00 C ATOM 1304 O PRO A 87 8.590 3.603 -11.634 1.00 0.00 O ATOM 1305 CB PRO A 87 7.920 6.682 -11.290 1.00 0.00 C ATOM 1306 CG PRO A 87 8.677 7.952 -11.698 1.00 0.00 C ATOM 1307 CD PRO A 87 10.087 7.806 -11.143 1.00 0.00 C ATOM 0 HA PRO A 87 8.675 5.222 -9.835 1.00 0.00 H new ATOM 0 HB2 PRO A 87 7.391 6.254 -12.142 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.172 6.903 -10.529 1.00 0.00 H new ATOM 0 HG2 PRO A 87 8.695 8.062 -12.782 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.191 8.841 -11.296 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.827 7.891 -11.939 1.00 0.00 H new ATOM 0 HD3 PRO A 87 10.302 8.595 -10.422 1.00 0.00 H new ATOM 1315 N ASP A 88 9.979 4.969 -12.841 1.00 0.00 N ATOM 1316 CA ASP A 88 10.337 4.029 -13.919 1.00 0.00 C ATOM 1317 C ASP A 88 10.638 2.644 -13.350 1.00 0.00 C ATOM 1318 O ASP A 88 10.314 1.603 -13.912 1.00 0.00 O ATOM 1319 CB ASP A 88 11.601 4.507 -14.636 1.00 0.00 C ATOM 1320 CG ASP A 88 11.362 5.245 -15.935 1.00 0.00 C ATOM 1321 OD1 ASP A 88 10.240 5.739 -16.143 1.00 0.00 O ATOM 1322 OD2 ASP A 88 12.402 5.303 -16.634 1.00 0.00 O ATOM 0 H ASP A 88 10.428 5.879 -12.941 1.00 0.00 H new ATOM 0 HA ASP A 88 9.492 3.982 -14.606 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.157 5.159 -13.963 1.00 0.00 H new ATOM 0 HB3 ASP A 88 12.234 3.643 -14.838 1.00 0.00 H new ATOM 1327 N GLY A 89 11.191 2.633 -12.145 1.00 0.00 N ATOM 1328 CA GLY A 89 11.492 1.434 -11.424 1.00 0.00 C ATOM 1329 C GLY A 89 12.865 0.937 -11.747 1.00 0.00 C ATOM 1330 O GLY A 89 13.224 -0.141 -11.282 1.00 0.00 O ATOM 0 H GLY A 89 11.443 3.484 -11.642 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.413 1.621 -10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.758 0.666 -11.668 1.00 0.00 H new ATOM 1334 N HIS A 90 13.588 1.716 -12.549 1.00 0.00 N ATOM 1335 CA HIS A 90 14.935 1.398 -12.924 1.00 0.00 C ATOM 1336 C HIS A 90 15.824 1.664 -11.719 1.00 0.00 C ATOM 1337 O HIS A 90 15.690 2.694 -11.055 1.00 0.00 O ATOM 1338 CB HIS A 90 15.305 2.159 -14.205 1.00 0.00 C ATOM 1339 CG HIS A 90 15.480 3.661 -14.078 1.00 0.00 C ATOM 1340 ND1 HIS A 90 14.699 4.605 -14.726 1.00 0.00 N ATOM 1341 CD2 HIS A 90 16.425 4.331 -13.336 1.00 0.00 C ATOM 1342 CE1 HIS A 90 15.143 5.819 -14.339 1.00 0.00 C ATOM 1343 NE2 HIS A 90 16.176 5.684 -13.473 1.00 0.00 N ATOM 0 H HIS A 90 13.240 2.587 -12.951 1.00 0.00 H new ATOM 0 HA HIS A 90 15.069 0.348 -13.182 1.00 0.00 H new ATOM 0 HB2 HIS A 90 16.233 1.740 -14.594 1.00 0.00 H new ATOM 0 HB3 HIS A 90 14.532 1.968 -14.950 1.00 0.00 H new ATOM 0 HD2 HIS A 90 17.216 3.882 -12.753 1.00 0.00 H new ATOM 0 HE1 HIS A 90 14.734 6.762 -14.671 1.00 0.00 H new ATOM 0 HE2 HIS A 90 16.677 6.441 -13.008 1.00 0.00 H new ATOM 1352 N ASP A 91 16.649 0.692 -11.364 1.00 0.00 N ATOM 1353 CA ASP A 91 17.648 0.833 -10.309 1.00 0.00 C ATOM 1354 C ASP A 91 18.621 1.927 -10.715 1.00 0.00 C ATOM 1355 O ASP A 91 19.467 1.694 -11.571 1.00 0.00 O ATOM 1356 CB ASP A 91 18.385 -0.493 -10.121 1.00 0.00 C ATOM 1357 CG ASP A 91 19.542 -0.370 -9.131 1.00 0.00 C ATOM 1358 OD1 ASP A 91 19.192 -0.541 -7.941 1.00 0.00 O ATOM 1359 OD2 ASP A 91 20.692 -0.127 -9.505 1.00 0.00 O ATOM 0 H ASP A 91 16.646 -0.229 -11.803 1.00 0.00 H new ATOM 0 HA ASP A 91 17.171 1.099 -9.365 1.00 0.00 H new ATOM 0 HB2 ASP A 91 17.685 -1.250 -9.768 1.00 0.00 H new ATOM 0 HB3 ASP A 91 18.766 -0.835 -11.083 1.00 0.00 H new ATOM 1364 N TYR A 92 18.344 3.165 -10.300 1.00 0.00 N ATOM 1365 CA TYR A 92 19.173 4.319 -10.595 1.00 0.00 C ATOM 1366 C TYR A 92 20.649 3.942 -10.534 1.00 0.00 C ATOM 1367 O TYR A 92 21.081 3.167 -9.711 1.00 0.00 O ATOM 1368 CB TYR A 92 18.821 5.389 -9.569 1.00 0.00 C ATOM 1369 CG TYR A 92 19.800 6.545 -9.511 1.00 0.00 C ATOM 1370 CD1 TYR A 92 20.307 7.114 -10.697 1.00 0.00 C ATOM 1371 CD2 TYR A 92 20.192 7.055 -8.267 1.00 0.00 C ATOM 1372 CE1 TYR A 92 21.238 8.169 -10.634 1.00 0.00 C ATOM 1373 CE2 TYR A 92 21.136 8.102 -8.202 1.00 0.00 C ATOM 1374 CZ TYR A 92 21.655 8.663 -9.386 1.00 0.00 C ATOM 1375 OH TYR A 92 22.543 9.677 -9.312 1.00 0.00 O ATOM 0 H TYR A 92 17.521 3.390 -9.740 1.00 0.00 H new ATOM 0 HA TYR A 92 18.991 4.693 -11.603 1.00 0.00 H new ATOM 0 HB2 TYR A 92 17.829 5.780 -9.795 1.00 0.00 H new ATOM 0 HB3 TYR A 92 18.765 4.926 -8.584 1.00 0.00 H new ATOM 0 HD1 TYR A 92 19.981 6.740 -11.656 1.00 0.00 H new ATOM 0 HD2 TYR A 92 19.773 6.648 -7.359 1.00 0.00 H new ATOM 0 HE1 TYR A 92 21.631 8.598 -11.544 1.00 0.00 H new ATOM 0 HE2 TYR A 92 21.462 8.474 -7.242 1.00 0.00 H new ATOM 0 HH TYR A 92 22.376 10.200 -8.500 1.00 0.00 H new ATOM 1385 N LYS A 93 21.476 4.485 -11.395 1.00 0.00 N ATOM 1386 CA LYS A 93 22.902 4.250 -11.322 1.00 0.00 C ATOM 1387 C LYS A 93 23.534 5.051 -10.180 1.00 0.00 C ATOM 1388 O LYS A 93 24.394 5.893 -10.404 1.00 0.00 O ATOM 1389 CB LYS A 93 23.493 4.537 -12.687 1.00 0.00 C ATOM 1390 CG LYS A 93 22.985 5.867 -13.271 1.00 0.00 C ATOM 1391 CD LYS A 93 23.930 6.359 -14.356 1.00 0.00 C ATOM 1392 CE LYS A 93 24.136 5.335 -15.466 1.00 0.00 C ATOM 1393 NZ LYS A 93 25.387 4.573 -15.240 1.00 0.00 N ATOM 0 H LYS A 93 21.186 5.096 -12.159 1.00 0.00 H new ATOM 0 HA LYS A 93 23.119 3.210 -11.077 1.00 0.00 H new ATOM 0 HB2 LYS A 93 24.580 4.567 -12.612 1.00 0.00 H new ATOM 0 HB3 LYS A 93 23.243 3.724 -13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.985 5.733 -13.683 1.00 0.00 H new ATOM 0 HG3 LYS A 93 22.907 6.613 -12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 93 23.535 7.280 -14.786 1.00 0.00 H new ATOM 0 HD3 LYS A 93 24.894 6.603 -13.909 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.288 4.652 -15.501 1.00 0.00 H new ATOM 0 HE3 LYS A 93 24.179 5.839 -16.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 25.794 4.295 -16.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 26.067 5.167 -14.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 25.178 3.721 -14.681 1.00 0.00 H new ATOM 1407 N PHE A 94 23.074 4.824 -8.962 1.00 0.00 N ATOM 1408 CA PHE A 94 23.605 5.444 -7.772 1.00 0.00 C ATOM 1409 C PHE A 94 24.935 4.832 -7.368 1.00 0.00 C ATOM 1410 O PHE A 94 25.701 5.474 -6.656 1.00 0.00 O ATOM 1411 CB PHE A 94 22.612 5.264 -6.633 1.00 0.00 C ATOM 1412 CG PHE A 94 22.108 3.858 -6.439 1.00 0.00 C ATOM 1413 CD1 PHE A 94 22.842 2.935 -5.690 1.00 0.00 C ATOM 1414 CD2 PHE A 94 20.917 3.463 -7.051 1.00 0.00 C ATOM 1415 CE1 PHE A 94 22.366 1.614 -5.563 1.00 0.00 C ATOM 1416 CE2 PHE A 94 20.453 2.140 -6.961 1.00 0.00 C ATOM 1417 CZ PHE A 94 21.177 1.222 -6.196 1.00 0.00 C ATOM 0 H PHE A 94 22.301 4.186 -8.774 1.00 0.00 H new ATOM 0 HA PHE A 94 23.766 6.501 -7.983 1.00 0.00 H new ATOM 0 HB2 PHE A 94 23.081 5.596 -5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 94 21.758 5.918 -6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 94 23.765 3.230 -5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 94 20.341 4.189 -7.605 1.00 0.00 H new ATOM 0 HE1 PHE A 94 22.921 0.899 -4.974 1.00 0.00 H new ATOM 0 HE2 PHE A 94 19.552 1.838 -7.474 1.00 0.00 H new ATOM 0 HZ PHE A 94 20.820 0.208 -6.092 1.00 0.00 H new ATOM 1427 N ASP A 95 25.238 3.640 -7.872 1.00 0.00 N ATOM 1428 CA ASP A 95 26.487 2.950 -7.583 1.00 0.00 C ATOM 1429 C ASP A 95 27.539 3.293 -8.638 1.00 0.00 C ATOM 1430 O ASP A 95 28.737 3.216 -8.412 1.00 0.00 O ATOM 1431 CB ASP A 95 26.243 1.437 -7.615 1.00 0.00 C ATOM 1432 CG ASP A 95 27.282 0.676 -6.787 1.00 0.00 C ATOM 1433 OD1 ASP A 95 27.750 1.249 -5.776 1.00 0.00 O ATOM 1434 OD2 ASP A 95 27.584 -0.466 -7.195 1.00 0.00 O ATOM 0 H ASP A 95 24.619 3.124 -8.496 1.00 0.00 H new ATOM 0 HA ASP A 95 26.842 3.262 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 95 25.245 1.222 -7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 95 26.272 1.086 -8.646 1.00 0.00 H new ATOM 1439 N SER A 96 27.103 3.724 -9.821 1.00 0.00 N ATOM 1440 CA SER A 96 27.993 4.093 -10.905 1.00 0.00 C ATOM 1441 C SER A 96 28.234 5.586 -10.858 1.00 0.00 C ATOM 1442 O SER A 96 27.352 6.376 -11.175 1.00 0.00 O ATOM 1443 CB SER A 96 27.402 3.663 -12.245 1.00 0.00 C ATOM 1444 OG SER A 96 28.348 2.903 -12.962 1.00 0.00 O ATOM 0 H SER A 96 26.114 3.825 -10.049 1.00 0.00 H new ATOM 0 HA SER A 96 28.949 3.581 -10.792 1.00 0.00 H new ATOM 0 HB2 SER A 96 26.498 3.076 -12.083 1.00 0.00 H new ATOM 0 HB3 SER A 96 27.113 4.540 -12.824 1.00 0.00 H new ATOM 0 HG SER A 96 27.964 2.628 -13.820 1.00 0.00 H new ATOM 1450 N LYS A 97 29.434 5.990 -10.451 1.00 0.00 N ATOM 1451 CA LYS A 97 29.789 7.404 -10.423 1.00 0.00 C ATOM 1452 C LYS A 97 29.625 8.020 -11.808 1.00 0.00 C ATOM 1453 O LYS A 97 29.104 9.127 -11.937 1.00 0.00 O ATOM 1454 CB LYS A 97 31.199 7.566 -9.833 1.00 0.00 C ATOM 1455 CG LYS A 97 32.324 7.462 -10.858 1.00 0.00 C ATOM 1456 CD LYS A 97 33.698 7.708 -10.262 1.00 0.00 C ATOM 1457 CE LYS A 97 34.178 9.125 -10.618 1.00 0.00 C ATOM 1458 NZ LYS A 97 34.867 9.127 -11.935 1.00 0.00 N ATOM 0 H LYS A 97 30.173 5.361 -10.138 1.00 0.00 H new ATOM 0 HA LYS A 97 29.111 7.955 -9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 97 31.264 8.534 -9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 97 31.349 6.805 -9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 97 32.304 6.471 -11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 97 32.147 8.182 -11.657 1.00 0.00 H new ATOM 0 HD2 LYS A 97 33.661 7.589 -9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 97 34.405 6.970 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 97 33.328 9.807 -10.645 1.00 0.00 H new ATOM 0 HE3 LYS A 97 34.856 9.490 -9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 35.184 10.092 -12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 35.690 8.492 -11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 34.210 8.799 -12.671 1.00 0.00 H new ATOM 1472 N LYS A 98 30.198 7.346 -12.813 1.00 0.00 N ATOM 1473 CA LYS A 98 30.245 7.806 -14.177 1.00 0.00 C ATOM 1474 C LYS A 98 29.916 6.644 -15.127 1.00 0.00 C ATOM 1475 O LYS A 98 30.577 5.611 -15.031 1.00 0.00 O ATOM 1476 CB LYS A 98 31.534 8.556 -14.538 1.00 0.00 C ATOM 1477 CG LYS A 98 31.204 10.011 -14.927 1.00 0.00 C ATOM 1478 CD LYS A 98 32.486 10.844 -14.988 1.00 0.00 C ATOM 1479 CE LYS A 98 32.161 12.338 -15.147 1.00 0.00 C ATOM 1480 NZ LYS A 98 32.517 13.102 -13.924 1.00 0.00 N ATOM 0 H LYS A 98 30.650 6.442 -12.680 1.00 0.00 H new ATOM 0 HA LYS A 98 29.475 8.568 -14.298 1.00 0.00 H new ATOM 0 HB2 LYS A 98 32.221 8.544 -13.692 1.00 0.00 H new ATOM 0 HB3 LYS A 98 32.037 8.055 -15.365 1.00 0.00 H new ATOM 0 HG2 LYS A 98 30.702 10.032 -15.894 1.00 0.00 H new ATOM 0 HG3 LYS A 98 30.515 10.442 -14.201 1.00 0.00 H new ATOM 0 HD2 LYS A 98 33.069 10.689 -14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 98 33.102 10.511 -15.823 1.00 0.00 H new ATOM 0 HE2 LYS A 98 32.705 12.741 -16.001 1.00 0.00 H new ATOM 0 HE3 LYS A 98 31.099 12.461 -15.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 32.286 14.106 -14.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 31.979 12.731 -13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 33.535 13.004 -13.737 1.00 0.00 H new ATOM 1494 N PRO A 99 28.910 6.839 -16.005 1.00 0.00 N ATOM 1495 CA PRO A 99 28.113 8.061 -16.038 1.00 0.00 C ATOM 1496 C PRO A 99 27.174 8.135 -14.830 1.00 0.00 C ATOM 1497 O PRO A 99 27.141 7.222 -14.009 1.00 0.00 O ATOM 1498 CB PRO A 99 27.382 8.075 -17.354 1.00 0.00 C ATOM 1499 CG PRO A 99 27.394 6.615 -17.823 1.00 0.00 C ATOM 1500 CD PRO A 99 28.419 5.864 -16.962 1.00 0.00 C ATOM 0 HA PRO A 99 28.742 8.949 -15.966 1.00 0.00 H new ATOM 0 HB2 PRO A 99 26.363 8.445 -17.237 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.877 8.726 -18.075 1.00 0.00 H new ATOM 0 HG2 PRO A 99 26.405 6.170 -17.717 1.00 0.00 H new ATOM 0 HG3 PRO A 99 27.660 6.553 -18.878 1.00 0.00 H new ATOM 0 HD2 PRO A 99 27.960 5.015 -16.456 1.00 0.00 H new ATOM 0 HD3 PRO A 99 29.231 5.470 -17.573 1.00 0.00 H new ATOM 1508 N LYS A 100 26.452 9.241 -14.705 1.00 0.00 N ATOM 1509 CA LYS A 100 25.492 9.474 -13.629 1.00 0.00 C ATOM 1510 C LYS A 100 24.248 10.119 -14.208 1.00 0.00 C ATOM 1511 O LYS A 100 24.362 11.130 -14.890 1.00 0.00 O ATOM 1512 CB LYS A 100 26.156 10.273 -12.508 1.00 0.00 C ATOM 1513 CG LYS A 100 25.153 11.181 -11.786 1.00 0.00 C ATOM 1514 CD LYS A 100 25.852 12.048 -10.750 1.00 0.00 C ATOM 1515 CE LYS A 100 25.923 11.308 -9.435 1.00 0.00 C ATOM 1516 NZ LYS A 100 26.886 11.924 -8.501 1.00 0.00 N ATOM 0 H LYS A 100 26.517 10.019 -15.362 1.00 0.00 H new ATOM 0 HA LYS A 100 25.170 8.538 -13.172 1.00 0.00 H new ATOM 0 HB2 LYS A 100 26.607 9.587 -11.791 1.00 0.00 H new ATOM 0 HB3 LYS A 100 26.963 10.878 -12.921 1.00 0.00 H new ATOM 0 HG2 LYS A 100 24.643 11.815 -12.511 1.00 0.00 H new ATOM 0 HG3 LYS A 100 24.389 10.573 -11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 100 26.856 12.302 -11.091 1.00 0.00 H new ATOM 0 HD3 LYS A 100 25.312 12.986 -10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 100 24.935 11.290 -8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 100 26.208 10.272 -9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 27.490 11.185 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 27.478 12.608 -9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 26.369 12.413 -7.742 1.00 0.00 H new ATOM 1530 N GLU A 101 23.106 9.493 -13.982 1.00 0.00 N ATOM 1531 CA GLU A 101 21.839 10.037 -14.437 1.00 0.00 C ATOM 1532 C GLU A 101 21.331 11.130 -13.496 1.00 0.00 C ATOM 1533 O GLU A 101 21.771 11.235 -12.346 1.00 0.00 O ATOM 1534 CB GLU A 101 20.823 8.900 -14.583 1.00 0.00 C ATOM 1535 CG GLU A 101 19.984 9.099 -15.864 1.00 0.00 C ATOM 1536 CD GLU A 101 18.469 9.060 -15.608 1.00 0.00 C ATOM 1537 OE1 GLU A 101 18.047 9.457 -14.506 1.00 0.00 O ATOM 1538 OE2 GLU A 101 17.753 8.539 -16.483 1.00 0.00 O ATOM 0 H GLU A 101 23.031 8.606 -13.485 1.00 0.00 H new ATOM 0 HA GLU A 101 21.983 10.507 -15.410 1.00 0.00 H new ATOM 0 HB2 GLU A 101 21.341 7.942 -14.624 1.00 0.00 H new ATOM 0 HB3 GLU A 101 20.169 8.872 -13.711 1.00 0.00 H new ATOM 0 HG2 GLU A 101 20.245 10.056 -16.316 1.00 0.00 H new ATOM 0 HG3 GLU A 101 20.244 8.324 -16.585 1.00 0.00 H new ATOM 1545 N ASN A 102 20.436 11.969 -14.015 1.00 0.00 N ATOM 1546 CA ASN A 102 19.835 13.022 -13.218 1.00 0.00 C ATOM 1547 C ASN A 102 19.073 12.447 -12.018 1.00 0.00 C ATOM 1548 O ASN A 102 18.417 11.425 -12.162 1.00 0.00 O ATOM 1549 CB ASN A 102 18.893 13.879 -14.068 1.00 0.00 C ATOM 1550 CG ASN A 102 18.748 15.276 -13.493 1.00 0.00 C ATOM 1551 OD1 ASN A 102 17.856 15.609 -12.743 1.00 0.00 O ATOM 1552 ND2 ASN A 102 19.716 16.117 -13.753 1.00 0.00 N ATOM 0 H ASN A 102 20.115 11.935 -14.983 1.00 0.00 H new ATOM 0 HA ASN A 102 20.644 13.649 -12.845 1.00 0.00 H new ATOM 0 HB2 ASN A 102 19.275 13.941 -15.087 1.00 0.00 H new ATOM 0 HB3 ASN A 102 17.914 13.403 -14.122 1.00 0.00 H new ATOM 0 HD21 ASN A 102 19.715 17.043 -13.326 1.00 0.00 H new ATOM 0 HD22 ASN A 102 20.471 15.846 -14.383 1.00 0.00 H new ATOM 1559 N PRO A 103 19.166 13.063 -10.828 1.00 0.00 N ATOM 1560 CA PRO A 103 18.428 12.626 -9.657 1.00 0.00 C ATOM 1561 C PRO A 103 16.930 12.952 -9.774 1.00 0.00 C ATOM 1562 O PRO A 103 16.383 13.240 -10.833 1.00 0.00 O ATOM 1563 CB PRO A 103 19.110 13.323 -8.478 1.00 0.00 C ATOM 1564 CG PRO A 103 19.879 14.507 -9.071 1.00 0.00 C ATOM 1565 CD PRO A 103 19.939 14.263 -10.564 1.00 0.00 C ATOM 0 HA PRO A 103 18.450 11.543 -9.532 1.00 0.00 H new ATOM 0 HB2 PRO A 103 18.375 13.662 -7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 103 19.784 12.641 -7.959 1.00 0.00 H new ATOM 0 HG2 PRO A 103 19.376 15.448 -8.850 1.00 0.00 H new ATOM 0 HG3 PRO A 103 20.881 14.573 -8.646 1.00 0.00 H new ATOM 0 HD2 PRO A 103 19.531 15.113 -11.111 1.00 0.00 H new ATOM 0 HD3 PRO A 103 20.970 14.138 -10.893 1.00 0.00 H new ATOM 1573 N GLY A 104 16.236 12.860 -8.644 1.00 0.00 N ATOM 1574 CA GLY A 104 14.834 13.204 -8.576 1.00 0.00 C ATOM 1575 C GLY A 104 14.516 14.123 -7.399 1.00 0.00 C ATOM 1576 O GLY A 104 15.234 14.127 -6.386 1.00 0.00 O ATOM 0 H GLY A 104 16.633 12.546 -7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 104 14.537 13.692 -9.505 1.00 0.00 H new ATOM 0 HA3 GLY A 104 14.243 12.292 -8.491 1.00 0.00 H new ATOM 1580 N PRO A 105 13.417 14.888 -7.519 1.00 0.00 N ATOM 1581 CA PRO A 105 12.963 15.767 -6.459 1.00 0.00 C ATOM 1582 C PRO A 105 12.355 14.980 -5.315 1.00 0.00 C ATOM 1583 O PRO A 105 12.321 15.513 -4.211 1.00 0.00 O ATOM 1584 CB PRO A 105 11.945 16.710 -7.095 1.00 0.00 C ATOM 1585 CG PRO A 105 11.504 16.035 -8.405 1.00 0.00 C ATOM 1586 CD PRO A 105 12.499 14.905 -8.655 1.00 0.00 C ATOM 0 HA PRO A 105 13.793 16.325 -6.027 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.094 16.870 -6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.386 17.688 -7.289 1.00 0.00 H new ATOM 0 HG2 PRO A 105 10.488 15.648 -8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 105 11.507 16.747 -9.230 1.00 0.00 H new ATOM 0 HD2 PRO A 105 11.983 13.950 -8.748 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.041 15.067 -9.587 1.00 0.00 H new ATOM 1594 N ALA A 106 11.986 13.722 -5.535 1.00 0.00 N ATOM 1595 CA ALA A 106 11.437 12.848 -4.523 1.00 0.00 C ATOM 1596 C ALA A 106 12.421 11.756 -4.193 1.00 0.00 C ATOM 1597 O ALA A 106 13.002 11.152 -5.095 1.00 0.00 O ATOM 1598 CB ALA A 106 10.144 12.299 -5.034 1.00 0.00 C ATOM 0 H ALA A 106 12.066 13.277 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 106 11.248 13.395 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 106 9.710 11.635 -4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.455 13.119 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 106 10.323 11.742 -5.953 1.00 0.00 H new ATOM 1604 N ARG A 107 12.585 11.514 -2.902 1.00 0.00 N ATOM 1605 CA ARG A 107 13.443 10.456 -2.408 1.00 0.00 C ATOM 1606 C ARG A 107 12.809 9.728 -1.260 1.00 0.00 C ATOM 1607 O ARG A 107 12.072 10.379 -0.546 1.00 0.00 O ATOM 1608 CB ARG A 107 14.757 11.095 -1.972 1.00 0.00 C ATOM 1609 CG ARG A 107 15.431 11.799 -3.145 1.00 0.00 C ATOM 1610 CD ARG A 107 16.942 11.733 -3.062 1.00 0.00 C ATOM 1611 NE ARG A 107 17.503 13.055 -3.295 1.00 0.00 N ATOM 1612 CZ ARG A 107 17.342 14.093 -2.505 1.00 0.00 C ATOM 1613 NH1 ARG A 107 16.619 14.014 -1.426 1.00 0.00 N ATOM 1614 NH2 ARG A 107 17.976 15.194 -2.747 1.00 0.00 N ATOM 0 H ARG A 107 12.124 12.050 -2.167 1.00 0.00 H new ATOM 0 HA ARG A 107 13.613 9.721 -3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 107 14.571 11.810 -1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.422 10.331 -1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 107 15.100 11.343 -4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 107 15.116 12.842 -3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 107 17.247 11.365 -2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 107 17.326 11.029 -3.800 1.00 0.00 H new ATOM 0 HE ARG A 107 18.065 13.186 -4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 107 16.165 13.135 -1.180 1.00 0.00 H new ATOM 0 HH12 ARG A 107 16.507 14.831 -0.826 1.00 0.00 H new ATOM 0 HH21 ARG A 107 18.601 15.257 -3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 107 17.851 16.000 -2.134 1.00 0.00 H new ATOM 1628 N VAL A 108 13.113 8.454 -1.060 1.00 0.00 N ATOM 1629 CA VAL A 108 12.636 7.648 0.067 1.00 0.00 C ATOM 1630 C VAL A 108 13.468 7.863 1.314 1.00 0.00 C ATOM 1631 O VAL A 108 14.686 7.759 1.272 1.00 0.00 O ATOM 1632 CB VAL A 108 12.598 6.179 -0.332 1.00 0.00 C ATOM 1633 CG1 VAL A 108 13.971 5.688 -0.787 1.00 0.00 C ATOM 1634 CG2 VAL A 108 12.039 5.329 0.801 1.00 0.00 C ATOM 0 H VAL A 108 13.717 7.931 -1.694 1.00 0.00 H new ATOM 0 HA VAL A 108 11.625 7.972 0.314 1.00 0.00 H new ATOM 0 HB VAL A 108 11.927 6.077 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.908 4.636 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 108 14.299 6.271 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.687 5.806 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.020 4.283 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.670 5.438 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.026 5.657 1.036 1.00 0.00 H new ATOM 1644 N ILE A 109 12.834 8.281 2.394 1.00 0.00 N ATOM 1645 CA ILE A 109 13.530 8.637 3.621 1.00 0.00 C ATOM 1646 C ILE A 109 13.169 7.567 4.622 1.00 0.00 C ATOM 1647 O ILE A 109 11.991 7.349 4.928 1.00 0.00 O ATOM 1648 CB ILE A 109 13.175 10.072 4.059 1.00 0.00 C ATOM 1649 CG1 ILE A 109 14.040 11.113 3.330 1.00 0.00 C ATOM 1650 CG2 ILE A 109 13.388 10.259 5.551 1.00 0.00 C ATOM 1651 CD1 ILE A 109 13.850 11.005 1.827 1.00 0.00 C ATOM 0 H ILE A 109 11.821 8.384 2.447 1.00 0.00 H new ATOM 0 HA ILE A 109 14.613 8.663 3.502 1.00 0.00 H new ATOM 0 HB ILE A 109 12.125 10.219 3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 109 13.773 12.115 3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 109 15.090 10.962 3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.129 11.280 5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.755 9.562 6.099 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.433 10.069 5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.470 11.749 1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 109 14.140 10.009 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 109 12.803 11.179 1.579 1.00 0.00 H new ATOM 1663 N TYR A 110 14.188 6.886 5.114 1.00 0.00 N ATOM 1664 CA TYR A 110 14.014 5.823 6.075 1.00 0.00 C ATOM 1665 C TYR A 110 15.114 5.885 7.122 1.00 0.00 C ATOM 1666 O TYR A 110 16.221 6.388 6.904 1.00 0.00 O ATOM 1667 CB TYR A 110 14.042 4.506 5.306 1.00 0.00 C ATOM 1668 CG TYR A 110 15.372 4.273 4.610 1.00 0.00 C ATOM 1669 CD1 TYR A 110 16.551 4.028 5.350 1.00 0.00 C ATOM 1670 CD2 TYR A 110 15.444 4.290 3.207 1.00 0.00 C ATOM 1671 CE1 TYR A 110 17.781 3.774 4.716 1.00 0.00 C ATOM 1672 CE2 TYR A 110 16.667 4.005 2.562 1.00 0.00 C ATOM 1673 CZ TYR A 110 17.811 3.672 3.307 1.00 0.00 C ATOM 1674 OH TYR A 110 18.893 3.196 2.651 1.00 0.00 O ATOM 0 H TYR A 110 15.159 7.058 4.855 1.00 0.00 H new ATOM 0 HA TYR A 110 13.066 5.918 6.604 1.00 0.00 H new ATOM 0 HB2 TYR A 110 13.845 3.683 5.993 1.00 0.00 H new ATOM 0 HB3 TYR A 110 13.242 4.503 4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 110 16.507 4.036 6.429 1.00 0.00 H new ATOM 0 HD2 TYR A 110 14.565 4.521 2.623 1.00 0.00 H new ATOM 0 HE1 TYR A 110 18.685 3.659 5.295 1.00 0.00 H new ATOM 0 HE2 TYR A 110 16.724 4.043 1.484 1.00 0.00 H new ATOM 0 HH TYR A 110 18.720 3.203 1.686 1.00 0.00 H new ATOM 1684 N THR A 111 14.780 5.431 8.316 1.00 0.00 N ATOM 1685 CA THR A 111 15.728 5.458 9.422 1.00 0.00 C ATOM 1686 C THR A 111 16.626 4.253 9.302 1.00 0.00 C ATOM 1687 O THR A 111 16.283 3.294 8.623 1.00 0.00 O ATOM 1688 CB THR A 111 14.972 5.497 10.757 1.00 0.00 C ATOM 1689 OG1 THR A 111 14.527 4.227 11.163 1.00 0.00 O ATOM 1690 CG2 THR A 111 13.693 6.328 10.655 1.00 0.00 C ATOM 0 H THR A 111 13.866 5.041 8.547 1.00 0.00 H new ATOM 0 HA THR A 111 16.347 6.354 9.387 1.00 0.00 H new ATOM 0 HB THR A 111 15.690 5.916 11.461 1.00 0.00 H new ATOM 0 HG1 THR A 111 14.054 4.304 12.018 1.00 0.00 H new ATOM 0 HG21 THR A 111 13.184 6.333 11.619 1.00 0.00 H new ATOM 0 HG22 THR A 111 13.945 7.350 10.372 1.00 0.00 H new ATOM 0 HG23 THR A 111 13.037 5.894 9.901 1.00 0.00 H new ATOM 1698 N TYR A 112 17.777 4.288 9.949 1.00 0.00 N ATOM 1699 CA TYR A 112 18.721 3.193 9.931 1.00 0.00 C ATOM 1700 C TYR A 112 18.747 2.477 11.298 1.00 0.00 C ATOM 1701 O TYR A 112 18.519 3.125 12.327 1.00 0.00 O ATOM 1702 CB TYR A 112 20.081 3.715 9.427 1.00 0.00 C ATOM 1703 CG TYR A 112 21.310 2.930 9.854 1.00 0.00 C ATOM 1704 CD1 TYR A 112 21.629 2.791 11.209 1.00 0.00 C ATOM 1705 CD2 TYR A 112 22.084 2.232 8.922 1.00 0.00 C ATOM 1706 CE1 TYR A 112 22.716 2.033 11.645 1.00 0.00 C ATOM 1707 CE2 TYR A 112 23.182 1.454 9.342 1.00 0.00 C ATOM 1708 CZ TYR A 112 23.514 1.379 10.706 1.00 0.00 C ATOM 1709 OH TYR A 112 24.582 0.683 11.126 1.00 0.00 O ATOM 0 H TYR A 112 18.082 5.086 10.506 1.00 0.00 H new ATOM 0 HA TYR A 112 18.418 2.416 9.229 1.00 0.00 H new ATOM 0 HB2 TYR A 112 20.054 3.740 8.338 1.00 0.00 H new ATOM 0 HB3 TYR A 112 20.199 4.744 9.767 1.00 0.00 H new ATOM 0 HD1 TYR A 112 21.012 3.288 11.943 1.00 0.00 H new ATOM 0 HD2 TYR A 112 21.839 2.289 7.872 1.00 0.00 H new ATOM 0 HE1 TYR A 112 22.938 1.953 12.699 1.00 0.00 H new ATOM 0 HE2 TYR A 112 23.770 0.914 8.614 1.00 0.00 H new ATOM 0 HH TYR A 112 24.839 0.987 12.021 1.00 0.00 H new ATOM 1719 N PRO A 113 19.150 1.188 11.316 1.00 0.00 N ATOM 1720 CA PRO A 113 19.415 0.415 10.110 1.00 0.00 C ATOM 1721 C PRO A 113 18.117 0.048 9.452 1.00 0.00 C ATOM 1722 O PRO A 113 17.971 0.285 8.257 1.00 0.00 O ATOM 1723 CB PRO A 113 20.210 -0.808 10.508 1.00 0.00 C ATOM 1724 CG PRO A 113 20.031 -0.918 12.030 1.00 0.00 C ATOM 1725 CD PRO A 113 19.456 0.423 12.515 1.00 0.00 C ATOM 0 HA PRO A 113 19.991 0.993 9.388 1.00 0.00 H new ATOM 0 HB2 PRO A 113 19.842 -1.700 10.001 1.00 0.00 H new ATOM 0 HB3 PRO A 113 21.261 -0.700 10.241 1.00 0.00 H new ATOM 0 HG2 PRO A 113 19.359 -1.739 12.281 1.00 0.00 H new ATOM 0 HG3 PRO A 113 20.984 -1.127 12.516 1.00 0.00 H new ATOM 0 HD2 PRO A 113 18.561 0.268 13.117 1.00 0.00 H new ATOM 0 HD3 PRO A 113 20.175 0.951 13.142 1.00 0.00 H new ATOM 1733 N ASN A 114 17.192 -0.528 10.222 1.00 0.00 N ATOM 1734 CA ASN A 114 15.877 -0.932 9.755 1.00 0.00 C ATOM 1735 C ASN A 114 15.268 0.200 8.973 1.00 0.00 C ATOM 1736 O ASN A 114 14.928 1.178 9.620 1.00 0.00 O ATOM 1737 CB ASN A 114 14.959 -1.242 10.950 1.00 0.00 C ATOM 1738 CG ASN A 114 14.212 -2.522 10.720 1.00 0.00 C ATOM 1739 OD1 ASN A 114 14.804 -3.567 10.564 1.00 0.00 O ATOM 1740 ND2 ASN A 114 12.913 -2.452 10.578 1.00 0.00 N ATOM 0 H ASN A 114 17.346 -0.729 11.210 1.00 0.00 H new ATOM 0 HA ASN A 114 15.980 -1.822 9.134 1.00 0.00 H new ATOM 0 HB2 ASN A 114 15.552 -1.319 11.861 1.00 0.00 H new ATOM 0 HB3 ASN A 114 14.254 -0.424 11.096 1.00 0.00 H new ATOM 0 HD21 ASN A 114 12.381 -3.287 10.332 1.00 0.00 H new ATOM 0 HD22 ASN A 114 12.432 -1.563 10.714 1.00 0.00 H new ATOM 1747 N LYS A 115 15.166 0.080 7.646 1.00 0.00 N ATOM 1748 CA LYS A 115 14.643 1.107 6.752 1.00 0.00 C ATOM 1749 C LYS A 115 13.194 1.365 7.093 1.00 0.00 C ATOM 1750 O LYS A 115 12.319 0.789 6.455 1.00 0.00 O ATOM 1751 CB LYS A 115 14.836 0.680 5.286 1.00 0.00 C ATOM 1752 CG LYS A 115 16.191 1.131 4.767 1.00 0.00 C ATOM 1753 CD LYS A 115 17.024 0.070 4.103 1.00 0.00 C ATOM 1754 CE LYS A 115 17.541 -0.870 5.189 1.00 0.00 C ATOM 1755 NZ LYS A 115 16.754 -2.117 5.219 1.00 0.00 N ATOM 0 H LYS A 115 15.456 -0.764 7.152 1.00 0.00 H new ATOM 0 HA LYS A 115 15.190 2.041 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.752 -0.404 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 115 14.045 1.108 4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.035 1.942 4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.759 1.544 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.430 -0.480 3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.856 0.521 3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.591 -1.101 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.487 -0.377 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.366 -2.260 6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.974 -2.052 4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.366 -2.920 4.970 1.00 0.00 H new ATOM 1769 N VAL A 116 12.957 2.147 8.138 1.00 0.00 N ATOM 1770 CA VAL A 116 11.627 2.420 8.664 1.00 0.00 C ATOM 1771 C VAL A 116 11.080 3.483 7.739 1.00 0.00 C ATOM 1772 O VAL A 116 11.056 4.659 8.084 1.00 0.00 O ATOM 1773 CB VAL A 116 11.671 2.869 10.140 1.00 0.00 C ATOM 1774 CG1 VAL A 116 10.394 3.579 10.598 1.00 0.00 C ATOM 1775 CG2 VAL A 116 11.970 1.670 11.056 1.00 0.00 C ATOM 0 H VAL A 116 13.700 2.619 8.654 1.00 0.00 H new ATOM 0 HA VAL A 116 10.991 1.535 8.683 1.00 0.00 H new ATOM 0 HB VAL A 116 12.476 3.600 10.214 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.493 3.867 11.645 1.00 0.00 H new ATOM 0 HG12 VAL A 116 10.235 4.469 9.990 1.00 0.00 H new ATOM 0 HG13 VAL A 116 9.544 2.906 10.486 1.00 0.00 H new ATOM 0 HG21 VAL A 116 11.998 2.003 12.094 1.00 0.00 H new ATOM 0 HG22 VAL A 116 11.190 0.918 10.937 1.00 0.00 H new ATOM 0 HG23 VAL A 116 12.934 1.239 10.787 1.00 0.00 H new ATOM 1785 N PHE A 117 10.760 3.079 6.513 1.00 0.00 N ATOM 1786 CA PHE A 117 10.182 3.937 5.503 1.00 0.00 C ATOM 1787 C PHE A 117 9.228 4.920 6.179 1.00 0.00 C ATOM 1788 O PHE A 117 8.236 4.505 6.800 1.00 0.00 O ATOM 1789 CB PHE A 117 9.460 3.039 4.505 1.00 0.00 C ATOM 1790 CG PHE A 117 8.764 3.807 3.421 1.00 0.00 C ATOM 1791 CD1 PHE A 117 7.651 4.602 3.723 1.00 0.00 C ATOM 1792 CD2 PHE A 117 9.223 3.732 2.102 1.00 0.00 C ATOM 1793 CE1 PHE A 117 7.065 5.365 2.724 1.00 0.00 C ATOM 1794 CE2 PHE A 117 8.579 4.474 1.097 1.00 0.00 C ATOM 1795 CZ PHE A 117 7.508 5.315 1.406 1.00 0.00 C ATOM 0 H PHE A 117 10.902 2.121 6.194 1.00 0.00 H new ATOM 0 HA PHE A 117 10.938 4.520 4.977 1.00 0.00 H new ATOM 0 HB2 PHE A 117 10.179 2.355 4.054 1.00 0.00 H new ATOM 0 HB3 PHE A 117 8.730 2.429 5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.252 4.621 4.726 1.00 0.00 H new ATOM 0 HD2 PHE A 117 10.069 3.107 1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 117 6.241 6.016 2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.916 4.393 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 117 7.035 5.912 0.640 1.00 0.00 H new ATOM 1805 N CYS A 118 9.579 6.197 6.135 1.00 0.00 N ATOM 1806 CA CYS A 118 8.740 7.230 6.683 1.00 0.00 C ATOM 1807 C CYS A 118 7.901 7.861 5.577 1.00 0.00 C ATOM 1808 O CYS A 118 6.762 8.261 5.814 1.00 0.00 O ATOM 1809 CB CYS A 118 9.621 8.241 7.404 1.00 0.00 C ATOM 1810 SG CYS A 118 9.216 8.315 9.146 1.00 0.00 S ATOM 0 H CYS A 118 10.447 6.535 5.720 1.00 0.00 H new ATOM 0 HA CYS A 118 8.039 6.817 7.408 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.669 7.968 7.282 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.493 9.226 6.955 1.00 0.00 H new ATOM 1815 N GLY A 119 8.442 7.880 4.361 1.00 0.00 N ATOM 1816 CA GLY A 119 7.815 8.487 3.211 1.00 0.00 C ATOM 1817 C GLY A 119 8.819 9.134 2.297 1.00 0.00 C ATOM 1818 O GLY A 119 10.022 8.924 2.429 1.00 0.00 O ATOM 0 H GLY A 119 9.349 7.462 4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 119 7.258 7.729 2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 119 7.094 9.233 3.543 1.00 0.00 H new ATOM 1822 N ILE A 120 8.301 9.877 1.335 1.00 0.00 N ATOM 1823 CA ILE A 120 9.144 10.512 0.340 1.00 0.00 C ATOM 1824 C ILE A 120 9.084 11.981 0.574 1.00 0.00 C ATOM 1825 O ILE A 120 8.029 12.459 0.915 1.00 0.00 O ATOM 1826 CB ILE A 120 8.731 10.103 -1.085 1.00 0.00 C ATOM 1827 CG1 ILE A 120 9.130 8.651 -1.364 1.00 0.00 C ATOM 1828 CG2 ILE A 120 9.364 11.003 -2.146 1.00 0.00 C ATOM 1829 CD1 ILE A 120 8.130 7.673 -0.755 1.00 0.00 C ATOM 0 H ILE A 120 7.303 10.055 1.222 1.00 0.00 H new ATOM 0 HA ILE A 120 10.179 10.183 0.436 1.00 0.00 H new ATOM 0 HB ILE A 120 7.648 10.210 -1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 120 9.191 8.489 -2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 120 10.123 8.460 -0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 120 9.045 10.678 -3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 120 9.049 12.034 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 120 10.450 10.940 -2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 120 8.442 6.651 -0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 120 8.089 7.819 0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 120 7.143 7.849 -1.182 1.00 0.00 H new ATOM 1841 N ILE A 121 10.161 12.714 0.405 1.00 0.00 N ATOM 1842 CA ILE A 121 10.177 14.149 0.617 1.00 0.00 C ATOM 1843 C ILE A 121 10.441 14.813 -0.705 1.00 0.00 C ATOM 1844 O ILE A 121 11.109 14.210 -1.537 1.00 0.00 O ATOM 1845 CB ILE A 121 11.230 14.516 1.667 1.00 0.00 C ATOM 1846 CG1 ILE A 121 12.660 14.521 1.109 1.00 0.00 C ATOM 1847 CG2 ILE A 121 11.168 13.587 2.886 1.00 0.00 C ATOM 1848 CD1 ILE A 121 13.662 15.127 2.093 1.00 0.00 C ATOM 0 H ILE A 121 11.060 12.330 0.114 1.00 0.00 H new ATOM 0 HA ILE A 121 9.217 14.496 1.000 1.00 0.00 H new ATOM 0 HB ILE A 121 10.984 15.533 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 121 12.959 13.500 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 121 12.682 15.085 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 121 11.931 13.881 3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 121 10.184 13.660 3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 121 11.345 12.559 2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 121 14.660 15.109 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 121 13.380 16.157 2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 121 13.661 14.548 3.016 1.00 0.00 H new ATOM 1860 N ALA A 122 10.018 16.056 -0.867 1.00 0.00 N ATOM 1861 CA ALA A 122 10.217 16.849 -2.064 1.00 0.00 C ATOM 1862 C ALA A 122 9.638 18.249 -1.869 1.00 0.00 C ATOM 1863 O ALA A 122 8.809 18.514 -1.000 1.00 0.00 O ATOM 1864 CB ALA A 122 9.515 16.172 -3.247 1.00 0.00 C ATOM 0 H ALA A 122 9.508 16.557 -0.140 1.00 0.00 H new ATOM 0 HA ALA A 122 11.286 16.928 -2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.664 16.767 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.933 15.177 -3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 122 8.448 16.090 -3.039 1.00 0.00 H new ATOM 1870 N HIS A 123 10.080 19.175 -2.699 1.00 0.00 N ATOM 1871 CA HIS A 123 9.654 20.555 -2.626 1.00 0.00 C ATOM 1872 C HIS A 123 8.435 20.744 -3.509 1.00 0.00 C ATOM 1873 O HIS A 123 8.573 21.073 -4.675 1.00 0.00 O ATOM 1874 CB HIS A 123 10.812 21.514 -2.988 1.00 0.00 C ATOM 1875 CG HIS A 123 12.187 21.018 -2.606 1.00 0.00 C ATOM 1876 ND1 HIS A 123 12.879 20.001 -3.217 1.00 0.00 N flip ATOM 1877 CD2 HIS A 123 12.953 21.527 -1.572 1.00 0.00 C flip ATOM 1878 CE1 HIS A 123 14.071 19.874 -2.537 1.00 0.00 C flip ATOM 1879 NE2 HIS A 123 14.116 20.840 -1.580 1.00 0.00 N flip ATOM 0 H HIS A 123 10.748 18.987 -3.446 1.00 0.00 H new ATOM 0 HA HIS A 123 9.371 20.802 -1.603 1.00 0.00 H new ATOM 0 HB2 HIS A 123 10.792 21.696 -4.063 1.00 0.00 H new ATOM 0 HB3 HIS A 123 10.638 22.473 -2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 123 12.675 22.319 -0.892 1.00 0.00 H new ATOM 0 HE1 HIS A 123 14.836 19.136 -2.730 1.00 0.00 H new ATOM 0 HE2 HIS A 123 14.908 21.018 -0.962 1.00 0.00 H new ATOM 1888 N THR A 124 7.244 20.619 -2.933 1.00 0.00 N ATOM 1889 CA THR A 124 5.983 20.765 -3.685 1.00 0.00 C ATOM 1890 C THR A 124 5.391 22.169 -3.518 1.00 0.00 C ATOM 1891 O THR A 124 4.229 22.404 -3.197 1.00 0.00 O ATOM 1892 CB THR A 124 5.035 19.615 -3.320 1.00 0.00 C ATOM 1893 OG1 THR A 124 4.143 19.503 -4.391 1.00 0.00 O ATOM 1894 CG2 THR A 124 4.258 19.826 -2.018 1.00 0.00 C ATOM 0 H THR A 124 7.116 20.416 -1.942 1.00 0.00 H new ATOM 0 HA THR A 124 6.170 20.681 -4.756 1.00 0.00 H new ATOM 0 HB THR A 124 5.624 18.714 -3.149 1.00 0.00 H new ATOM 0 HG1 THR A 124 3.509 18.777 -4.214 1.00 0.00 H new ATOM 0 HG21 THR A 124 3.613 18.967 -1.836 1.00 0.00 H new ATOM 0 HG22 THR A 124 4.958 19.936 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 124 3.649 20.726 -2.100 1.00 0.00 H new ATOM 1902 N LYS A 125 6.271 23.156 -3.458 1.00 0.00 N ATOM 1903 CA LYS A 125 5.819 24.535 -3.318 1.00 0.00 C ATOM 1904 C LYS A 125 5.848 25.256 -4.657 1.00 0.00 C ATOM 1905 O LYS A 125 5.075 26.184 -4.832 1.00 0.00 O ATOM 1906 CB LYS A 125 6.667 25.214 -2.246 1.00 0.00 C ATOM 1907 CG LYS A 125 6.159 26.625 -1.920 1.00 0.00 C ATOM 1908 CD LYS A 125 4.928 26.583 -1.008 1.00 0.00 C ATOM 1909 CE LYS A 125 4.606 27.988 -0.493 1.00 0.00 C ATOM 1910 NZ LYS A 125 3.942 27.916 0.832 1.00 0.00 N ATOM 0 H LYS A 125 7.283 23.035 -3.503 1.00 0.00 H new ATOM 0 HA LYS A 125 4.778 24.567 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 125 6.660 24.608 -1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 125 7.702 25.270 -2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 125 6.952 27.195 -1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.910 27.146 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 125 4.074 26.183 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 125 5.111 25.913 -0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.523 28.572 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.959 28.503 -1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.730 28.878 1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 3.057 27.376 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 4.572 27.444 1.511 1.00 0.00 H new ATOM 1924 N GLU A 126 6.732 24.841 -5.560 1.00 0.00 N ATOM 1925 CA GLU A 126 6.826 25.435 -6.891 1.00 0.00 C ATOM 1926 C GLU A 126 7.726 24.592 -7.783 1.00 0.00 C ATOM 1927 O GLU A 126 7.261 23.962 -8.717 1.00 0.00 O ATOM 1928 CB GLU A 126 7.372 26.867 -6.761 1.00 0.00 C ATOM 1929 CG GLU A 126 6.398 27.871 -7.381 1.00 0.00 C ATOM 1930 CD GLU A 126 6.857 28.270 -8.784 1.00 0.00 C ATOM 1931 OE1 GLU A 126 7.827 29.061 -8.851 1.00 0.00 O ATOM 1932 OE2 GLU A 126 6.287 27.727 -9.749 1.00 0.00 O ATOM 0 H GLU A 126 7.400 24.088 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 126 5.838 25.468 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 126 7.531 27.108 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 126 8.341 26.939 -7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.400 27.435 -7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.329 28.757 -6.749 1.00 0.00 H new ATOM 1939 N ASN A 127 9.002 24.488 -7.410 1.00 0.00 N ATOM 1940 CA ASN A 127 9.984 23.702 -8.138 1.00 0.00 C ATOM 1941 C ASN A 127 11.125 23.275 -7.223 1.00 0.00 C ATOM 1942 O ASN A 127 11.544 22.121 -7.183 1.00 0.00 O ATOM 1943 CB ASN A 127 10.543 24.550 -9.301 1.00 0.00 C ATOM 1944 CG ASN A 127 10.248 23.946 -10.660 1.00 0.00 C ATOM 1945 OD1 ASN A 127 9.939 22.784 -10.831 1.00 0.00 O ATOM 1946 ND2 ASN A 127 10.466 24.713 -11.691 1.00 0.00 N ATOM 0 H ASN A 127 9.381 24.954 -6.585 1.00 0.00 H new ATOM 0 HA ASN A 127 9.501 22.804 -8.524 1.00 0.00 H new ATOM 0 HB2 ASN A 127 10.116 25.552 -9.253 1.00 0.00 H new ATOM 0 HB3 ASN A 127 11.621 24.657 -9.182 1.00 0.00 H new ATOM 0 HD21 ASN A 127 10.377 24.336 -12.635 1.00 0.00 H new ATOM 0 HD22 ASN A 127 10.726 25.690 -11.554 1.00 0.00 H new ATOM 1953 N GLN A 128 11.606 24.233 -6.430 1.00 0.00 N ATOM 1954 CA GLN A 128 12.693 24.021 -5.499 1.00 0.00 C ATOM 1955 C GLN A 128 12.682 25.072 -4.390 1.00 0.00 C ATOM 1956 O GLN A 128 13.439 26.031 -4.398 1.00 0.00 O ATOM 1957 CB GLN A 128 14.031 23.980 -6.265 1.00 0.00 C ATOM 1958 CG GLN A 128 14.594 22.556 -6.296 1.00 0.00 C ATOM 1959 CD GLN A 128 16.098 22.530 -6.085 1.00 0.00 C ATOM 1960 OE1 GLN A 128 16.654 23.146 -5.198 1.00 0.00 O ATOM 1961 NE2 GLN A 128 16.788 21.686 -6.805 1.00 0.00 N ATOM 0 H GLN A 128 11.241 25.186 -6.423 1.00 0.00 H new ATOM 0 HA GLN A 128 12.563 23.058 -5.005 1.00 0.00 H new ATOM 0 HB2 GLN A 128 13.884 24.340 -7.283 1.00 0.00 H new ATOM 0 HB3 GLN A 128 14.748 24.650 -5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 128 14.110 21.959 -5.523 1.00 0.00 H new ATOM 0 HG3 GLN A 128 14.355 22.093 -7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 128 16.333 21.162 -7.553 1.00 0.00 H new ATOM 0 HE22 GLN A 128 17.782 21.551 -6.619 1.00 0.00 H new ATOM 1970 N GLY A 129 11.757 24.923 -3.449 1.00 0.00 N ATOM 1971 CA GLY A 129 11.655 25.861 -2.335 1.00 0.00 C ATOM 1972 C GLY A 129 11.858 25.141 -1.016 1.00 0.00 C ATOM 1973 O GLY A 129 12.945 24.673 -0.687 1.00 0.00 O ATOM 0 H GLY A 129 11.071 24.168 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 129 12.401 26.648 -2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 129 10.678 26.344 -2.346 1.00 0.00 H new ATOM 1977 N GLU A 130 10.767 24.922 -0.298 1.00 0.00 N ATOM 1978 CA GLU A 130 10.827 24.242 0.994 1.00 0.00 C ATOM 1979 C GLU A 130 10.717 22.738 0.832 1.00 0.00 C ATOM 1980 O GLU A 130 10.149 22.273 -0.147 1.00 0.00 O ATOM 1981 CB GLU A 130 9.709 24.744 1.912 1.00 0.00 C ATOM 1982 CG GLU A 130 10.315 25.562 3.058 1.00 0.00 C ATOM 1983 CD GLU A 130 9.508 25.375 4.335 1.00 0.00 C ATOM 1984 OE1 GLU A 130 8.323 25.796 4.305 1.00 0.00 O ATOM 1985 OE2 GLU A 130 10.052 24.724 5.243 1.00 0.00 O ATOM 0 H GLU A 130 9.829 25.203 -0.584 1.00 0.00 H new ATOM 0 HA GLU A 130 11.794 24.469 1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 130 9.007 25.356 1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 130 9.146 23.900 2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 130 11.347 25.254 3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 130 10.337 26.617 2.787 1.00 0.00 H new ATOM 1992 N LEU A 131 11.230 21.961 1.771 1.00 0.00 N ATOM 1993 CA LEU A 131 11.144 20.507 1.714 1.00 0.00 C ATOM 1994 C LEU A 131 10.011 20.012 2.610 1.00 0.00 C ATOM 1995 O LEU A 131 9.803 20.515 3.704 1.00 0.00 O ATOM 1996 CB LEU A 131 12.504 19.935 2.146 1.00 0.00 C ATOM 1997 CG LEU A 131 13.086 18.973 1.115 1.00 0.00 C ATOM 1998 CD1 LEU A 131 14.502 18.554 1.506 1.00 0.00 C ATOM 1999 CD2 LEU A 131 12.196 17.778 0.888 1.00 0.00 C ATOM 0 H LEU A 131 11.717 22.317 2.593 1.00 0.00 H new ATOM 0 HA LEU A 131 10.919 20.171 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 131 13.204 20.754 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 131 12.391 19.417 3.098 1.00 0.00 H new ATOM 0 HG LEU A 131 13.141 19.504 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 131 14.898 17.868 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 131 15.140 19.436 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 131 14.480 18.058 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 131 12.651 17.121 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 131 12.070 17.235 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 131 11.223 18.112 0.528 1.00 0.00 H new ATOM 2011 N LYS A 132 9.251 19.042 2.131 1.00 0.00 N ATOM 2012 CA LYS A 132 8.099 18.484 2.835 1.00 0.00 C ATOM 2013 C LYS A 132 7.928 17.044 2.442 1.00 0.00 C ATOM 2014 O LYS A 132 8.587 16.616 1.502 1.00 0.00 O ATOM 2015 CB LYS A 132 6.853 19.318 2.566 1.00 0.00 C ATOM 2016 CG LYS A 132 6.693 19.720 1.089 1.00 0.00 C ATOM 2017 CD LYS A 132 5.668 20.840 0.958 1.00 0.00 C ATOM 2018 CE LYS A 132 6.262 22.022 0.174 1.00 0.00 C ATOM 2019 NZ LYS A 132 5.449 23.229 0.405 1.00 0.00 N ATOM 0 H LYS A 132 9.418 18.608 1.223 1.00 0.00 H new ATOM 0 HA LYS A 132 8.267 18.518 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 132 5.974 18.755 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 132 6.889 20.219 3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 132 7.652 20.046 0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 132 6.378 18.858 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 132 4.778 20.469 0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 132 5.355 21.173 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 132 7.291 22.199 0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.289 21.788 -0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 4.988 23.512 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 4.724 23.027 1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 6.061 24.001 0.739 1.00 0.00 H new ATOM 2033 N LEU A 133 7.105 16.311 3.170 1.00 0.00 N ATOM 2034 CA LEU A 133 6.828 14.920 2.852 1.00 0.00 C ATOM 2035 C LEU A 133 5.732 14.887 1.798 1.00 0.00 C ATOM 2036 O LEU A 133 4.908 15.802 1.766 1.00 0.00 O ATOM 2037 CB LEU A 133 6.446 14.189 4.145 1.00 0.00 C ATOM 2038 CG LEU A 133 6.802 12.698 4.132 1.00 0.00 C ATOM 2039 CD1 LEU A 133 8.302 12.474 4.139 1.00 0.00 C ATOM 2040 CD2 LEU A 133 6.176 12.015 5.334 1.00 0.00 C ATOM 0 H LEU A 133 6.613 16.659 3.993 1.00 0.00 H new ATOM 0 HA LEU A 133 7.698 14.408 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.949 14.667 4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.374 14.297 4.311 1.00 0.00 H new ATOM 0 HG LEU A 133 6.408 12.269 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 133 8.510 11.404 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 133 8.743 12.937 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 133 8.732 12.919 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.430 10.955 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.555 12.470 6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 133 5.093 12.129 5.294 1.00 0.00 H new ATOM 2052 N CYS A 134 5.779 13.880 0.931 1.00 0.00 N ATOM 2053 CA CYS A 134 4.790 13.615 -0.097 1.00 0.00 C ATOM 2054 C CYS A 134 3.407 13.410 0.526 1.00 0.00 C ATOM 2055 O CYS A 134 3.228 13.427 1.744 1.00 0.00 O ATOM 2056 CB CYS A 134 5.198 12.378 -0.915 1.00 0.00 C ATOM 2057 SG CYS A 134 6.666 12.498 -1.929 1.00 0.00 S ATOM 0 H CYS A 134 6.540 13.201 0.929 1.00 0.00 H new ATOM 0 HA CYS A 134 4.741 14.477 -0.763 1.00 0.00 H new ATOM 0 HB2 CYS A 134 5.336 11.548 -0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 134 4.363 12.115 -1.564 1.00 0.00 H new ATOM 2062 N SER A 135 2.443 13.046 -0.301 1.00 0.00 N ATOM 2063 CA SER A 135 1.093 12.886 0.217 1.00 0.00 C ATOM 2064 C SER A 135 0.572 11.560 -0.266 1.00 0.00 C ATOM 2065 O SER A 135 0.148 11.462 -1.409 1.00 0.00 O ATOM 2066 CB SER A 135 0.219 14.043 -0.246 1.00 0.00 C ATOM 2067 OG SER A 135 0.610 15.267 0.352 1.00 0.00 O ATOM 0 H SER A 135 2.559 12.861 -1.297 1.00 0.00 H new ATOM 0 HA SER A 135 1.085 12.899 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 135 0.278 14.133 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 135 -0.822 13.834 0.000 1.00 0.00 H new ATOM 0 HG SER A 135 0.029 15.988 0.031 1.00 0.00 H new ATOM 2073 N HIS A 136 0.738 10.518 0.540 1.00 0.00 N ATOM 2074 CA HIS A 136 0.157 9.202 0.255 1.00 0.00 C ATOM 2075 C HIS A 136 -1.148 8.942 0.998 1.00 0.00 C ATOM 2076 O HIS A 136 -1.386 9.731 1.938 1.00 0.00 O ATOM 2077 CB HIS A 136 1.216 8.145 0.547 1.00 0.00 C ATOM 2078 CG HIS A 136 1.264 7.735 2.003 1.00 0.00 C ATOM 2079 ND1 HIS A 136 1.095 6.476 2.514 1.00 0.00 N flip ATOM 2080 CD2 HIS A 136 1.504 8.595 3.057 1.00 0.00 C flip ATOM 2081 CE1 HIS A 136 1.244 6.570 3.883 1.00 0.00 C flip ATOM 2082 NE2 HIS A 136 1.489 7.868 4.191 1.00 0.00 N flip ATOM 2083 OXT HIS A 136 -1.734 7.876 0.716 1.00 0.00 O ATOM 0 H HIS A 136 1.275 10.556 1.406 1.00 0.00 H new ATOM 0 HA HIS A 136 -0.126 9.162 -0.797 1.00 0.00 H new ATOM 0 HB2 HIS A 136 1.020 7.265 -0.065 1.00 0.00 H new ATOM 0 HB3 HIS A 136 2.193 8.528 0.252 1.00 0.00 H new ATOM 0 HD2 HIS A 136 1.673 9.659 2.985 1.00 0.00 H new ATOM 0 HE1 HIS A 136 1.177 5.753 4.586 1.00 0.00 H new ATOM 0 HE2 HIS A 136 1.638 8.235 5.131 1.00 0.00 H new TER 2092 HIS A 136