USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 853 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 67 THR OG1 : rot 82:sc= 1.17 USER MOD Set 1.2: A 101 GLN :FLIP amide:sc= -1.98 F(o=-2,f=-0.81) USER MOD Set 2.1: A 64 SER OG : rot 137:sc= 0.151 USER MOD Set 2.2: A 105 SER OG : rot -118:sc= 0.322 USER MOD Set 3.1: A 8 THR OG1 : rot -20:sc= 0.655! USER MOD Set 3.2: A 10 ASN :FLIP amide:sc= 0 F(o=0.021,f=0.65) USER MOD Set 4.1: A 5 THR OG1 : rot -62:sc= -5.6! USER MOD Set 4.2: A 47 ASN :FLIP amide:sc= -8.6! C(o=-17!,f=-14!) USER MOD Set 5.1: A 3 SER OG : rot 130:sc= 0.871 USER MOD Set 5.2: A 51 SER OG : rot -165:sc= 1.11 USER MOD Single : A 1 CYS N :NH3+ 178:sc= -0.201 (180deg=-0.209) USER MOD Single : A 1 CYS SG : rot -23:sc= 0.312 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.164 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 17 THR OG1 : rot 89:sc= 0.874 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -1.03 F(o=-1.8!,f=-1) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -2.31 K(o=-2.3,f=-3.2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.82! C(o=-2.8!,f=-2.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -82:sc= 0.0148 USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= -0.127 (180deg=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.267) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 68 MET CE :methyl 177:sc= 0 (180deg=-0.00447) USER MOD Single : A 69 GLN : amide:sc= -0.0134 K(o=-0.013,f=-0.89!) USER MOD Single : A 70 THR OG1 : rot 63:sc= -0.192 USER MOD Single : A 73 ASN : amide:sc= -0.361 K(o=-0.36,f=-2.7!) USER MOD Single : A 74 SER OG : rot -150:sc= 0 USER MOD Single : A 78 TYR OH : rot -32:sc= 0.702 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 85:sc= 0.0359 USER MOD Single : A 81 SER OG : rot -12:sc= 0.543 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -0.376 (180deg=-0.86!) USER MOD Single : A 96 GLN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 100 THR OG1 : rot -93:sc= -0.21 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 78.375 11.405 18.179 1.00 0.00 N ATOM 2 CA CYS A 1 76.892 11.457 18.310 1.00 0.00 C ATOM 3 C CYS A 1 76.251 10.770 17.109 1.00 0.00 C ATOM 4 O CYS A 1 75.027 10.731 16.984 1.00 0.00 O ATOM 5 CB CYS A 1 76.440 12.917 18.379 1.00 0.00 C ATOM 6 SG CYS A 1 76.102 13.522 16.707 1.00 0.00 S ATOM 0 H1 CYS A 1 78.812 11.903 18.981 1.00 0.00 H new ATOM 0 H2 CYS A 1 78.689 10.413 18.175 1.00 0.00 H new ATOM 0 H3 CYS A 1 78.661 11.862 17.290 1.00 0.00 H new ATOM 0 HA CYS A 1 76.585 10.943 19.221 1.00 0.00 H new ATOM 0 HB2 CYS A 1 75.546 13.003 18.996 1.00 0.00 H new ATOM 0 HB3 CYS A 1 77.212 13.526 18.849 1.00 0.00 H new ATOM 0 HG CYS A 1 76.756 12.802 15.845 1.00 0.00 H new ATOM 14 N ASP A 2 77.086 10.228 16.228 1.00 0.00 N ATOM 15 CA ASP A 2 76.588 9.545 15.039 1.00 0.00 C ATOM 16 C ASP A 2 77.090 8.105 14.998 1.00 0.00 C ATOM 17 O ASP A 2 76.458 7.235 14.399 1.00 0.00 O ATOM 18 CB ASP A 2 77.046 10.284 13.781 1.00 0.00 C ATOM 19 CG ASP A 2 76.195 11.533 13.571 1.00 0.00 C ATOM 20 OD1 ASP A 2 75.086 11.395 13.082 1.00 0.00 O ATOM 21 OD2 ASP A 2 76.664 12.609 13.904 1.00 0.00 O ATOM 0 H ASP A 2 78.102 10.248 16.313 1.00 0.00 H new ATOM 0 HA ASP A 2 75.499 9.537 15.078 1.00 0.00 H new ATOM 0 HB2 ASP A 2 78.096 10.561 13.874 1.00 0.00 H new ATOM 0 HB3 ASP A 2 76.965 9.628 12.914 1.00 0.00 H new ATOM 26 N SER A 3 78.227 7.861 15.641 1.00 0.00 N ATOM 27 CA SER A 3 78.803 6.521 15.671 1.00 0.00 C ATOM 28 C SER A 3 77.827 5.535 16.302 1.00 0.00 C ATOM 29 O SER A 3 77.091 5.881 17.227 1.00 0.00 O ATOM 30 CB SER A 3 80.107 6.533 16.469 1.00 0.00 C ATOM 31 OG SER A 3 81.144 5.966 15.680 1.00 0.00 O ATOM 0 H SER A 3 78.764 8.567 16.145 1.00 0.00 H new ATOM 0 HA SER A 3 79.007 6.208 14.647 1.00 0.00 H new ATOM 0 HB2 SER A 3 80.365 7.554 16.751 1.00 0.00 H new ATOM 0 HB3 SER A 3 79.987 5.968 17.393 1.00 0.00 H new ATOM 0 HG SER A 3 81.920 6.564 15.681 1.00 0.00 H new ATOM 37 N GLY A 4 77.824 4.304 15.799 1.00 0.00 N ATOM 38 CA GLY A 4 76.932 3.278 16.326 1.00 0.00 C ATOM 39 C GLY A 4 75.822 2.954 15.331 1.00 0.00 C ATOM 40 O GLY A 4 75.440 3.795 14.517 1.00 0.00 O ATOM 0 H GLY A 4 78.424 3.995 15.034 1.00 0.00 H new ATOM 0 HA2 GLY A 4 77.501 2.375 16.548 1.00 0.00 H new ATOM 0 HA3 GLY A 4 76.495 3.618 17.265 1.00 0.00 H new ATOM 44 N THR A 5 75.309 1.730 15.403 1.00 0.00 N ATOM 45 CA THR A 5 74.243 1.303 14.502 1.00 0.00 C ATOM 46 C THR A 5 73.710 -0.066 14.915 1.00 0.00 C ATOM 47 O THR A 5 73.657 -0.393 16.100 1.00 0.00 O ATOM 48 CB THR A 5 74.769 1.232 13.066 1.00 0.00 C ATOM 49 OG1 THR A 5 75.853 2.136 12.915 1.00 0.00 O ATOM 50 CG2 THR A 5 73.652 1.608 12.089 1.00 0.00 C ATOM 0 H THR A 5 75.611 1.020 16.071 1.00 0.00 H new ATOM 0 HA THR A 5 73.433 2.030 14.558 1.00 0.00 H new ATOM 0 HB THR A 5 75.107 0.218 12.855 1.00 0.00 H new ATOM 0 HG1 THR A 5 75.541 3.051 13.077 1.00 0.00 H new ATOM 0 HG21 THR A 5 74.029 1.557 11.068 1.00 0.00 H new ATOM 0 HG22 THR A 5 72.819 0.914 12.204 1.00 0.00 H new ATOM 0 HG23 THR A 5 73.311 2.622 12.299 1.00 0.00 H new ATOM 58 N GLY A 6 73.319 -0.862 13.925 1.00 0.00 N ATOM 59 CA GLY A 6 72.796 -2.198 14.186 1.00 0.00 C ATOM 60 C GLY A 6 73.384 -3.201 13.200 1.00 0.00 C ATOM 61 O GLY A 6 72.979 -4.364 13.162 1.00 0.00 O ATOM 0 H GLY A 6 73.354 -0.606 12.938 1.00 0.00 H new ATOM 0 HA2 GLY A 6 73.037 -2.497 15.206 1.00 0.00 H new ATOM 0 HA3 GLY A 6 71.709 -2.192 14.104 1.00 0.00 H new ATOM 65 N LEU A 7 74.342 -2.737 12.403 1.00 0.00 N ATOM 66 CA LEU A 7 74.989 -3.591 11.414 1.00 0.00 C ATOM 67 C LEU A 7 75.137 -5.016 11.940 1.00 0.00 C ATOM 68 O LEU A 7 75.117 -5.248 13.149 1.00 0.00 O ATOM 69 CB LEU A 7 76.370 -3.025 11.065 1.00 0.00 C ATOM 70 CG LEU A 7 76.341 -2.403 9.666 1.00 0.00 C ATOM 71 CD1 LEU A 7 76.155 -3.503 8.620 1.00 0.00 C ATOM 72 CD2 LEU A 7 75.183 -1.405 9.565 1.00 0.00 C ATOM 0 H LEU A 7 74.686 -1.777 12.423 1.00 0.00 H new ATOM 0 HA LEU A 7 74.366 -3.615 10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 7 76.661 -2.275 11.800 1.00 0.00 H new ATOM 0 HB3 LEU A 7 77.118 -3.817 11.105 1.00 0.00 H new ATOM 0 HG LEU A 7 77.282 -1.883 9.487 1.00 0.00 H new ATOM 0 HD11 LEU A 7 76.135 -3.059 7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 7 76.982 -4.210 8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 7 75.216 -4.025 8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 7 75.167 -0.966 8.568 1.00 0.00 H new ATOM 0 HD22 LEU A 7 74.241 -1.921 9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 7 75.316 -0.617 10.306 1.00 0.00 H new ATOM 84 N THR A 8 75.284 -5.963 11.021 1.00 0.00 N ATOM 85 CA THR A 8 75.435 -7.365 11.391 1.00 0.00 C ATOM 86 C THR A 8 76.712 -7.940 10.787 1.00 0.00 C ATOM 87 O THR A 8 77.118 -9.057 11.110 1.00 0.00 O ATOM 88 CB THR A 8 74.228 -8.169 10.902 1.00 0.00 C ATOM 89 OG1 THR A 8 74.485 -9.556 11.072 1.00 0.00 O ATOM 90 CG2 THR A 8 73.978 -7.872 9.422 1.00 0.00 C ATOM 0 H THR A 8 75.302 -5.786 10.017 1.00 0.00 H new ATOM 0 HA THR A 8 75.497 -7.432 12.477 1.00 0.00 H new ATOM 0 HB THR A 8 73.347 -7.888 11.479 1.00 0.00 H new ATOM 0 HG1 THR A 8 75.450 -9.702 11.155 1.00 0.00 H new ATOM 0 HG21 THR A 8 73.118 -8.446 9.076 1.00 0.00 H new ATOM 0 HG22 THR A 8 73.780 -6.808 9.293 1.00 0.00 H new ATOM 0 HG23 THR A 8 74.857 -8.151 8.841 1.00 0.00 H new ATOM 98 N GLY A 9 77.340 -7.167 9.907 1.00 0.00 N ATOM 99 CA GLY A 9 78.572 -7.599 9.259 1.00 0.00 C ATOM 100 C GLY A 9 78.506 -9.071 8.867 1.00 0.00 C ATOM 101 O GLY A 9 79.365 -9.864 9.254 1.00 0.00 O ATOM 0 H GLY A 9 77.017 -6.241 9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 9 78.751 -6.992 8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 9 79.415 -7.437 9.931 1.00 0.00 H new ATOM 105 N ASN A 10 77.488 -9.431 8.092 1.00 0.00 N ATOM 106 CA ASN A 10 77.333 -10.812 7.649 1.00 0.00 C ATOM 107 C ASN A 10 78.615 -11.305 6.991 1.00 0.00 C ATOM 108 O ASN A 10 79.615 -10.589 6.942 1.00 0.00 O ATOM 109 CB ASN A 10 76.173 -10.921 6.658 1.00 0.00 C ATOM 110 CG ASN A 10 75.009 -11.669 7.300 1.00 0.00 C ATOM 111 OD1 ASN A 10 74.267 -11.063 8.187 1.00 0.00 O flip ATOM 112 ND2 ASN A 10 74.770 -12.835 6.987 1.00 0.00 N flip ATOM 0 H ASN A 10 76.765 -8.793 7.760 1.00 0.00 H new ATOM 0 HA ASN A 10 77.120 -11.431 8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 10 75.852 -9.926 6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 10 76.500 -11.443 5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 10 75.351 -13.306 6.294 1.00 0.00 H new ATOM 0 HD22 ASN A 10 73.991 -13.330 7.421 1.00 0.00 H new ATOM 119 N TYR A 11 78.577 -12.531 6.489 1.00 0.00 N ATOM 120 CA TYR A 11 79.743 -13.113 5.838 1.00 0.00 C ATOM 121 C TYR A 11 80.110 -12.326 4.584 1.00 0.00 C ATOM 122 O TYR A 11 80.013 -11.099 4.562 1.00 0.00 O ATOM 123 CB TYR A 11 79.454 -14.568 5.473 1.00 0.00 C ATOM 124 CG TYR A 11 78.866 -15.280 6.668 1.00 0.00 C ATOM 125 CD1 TYR A 11 79.603 -15.382 7.855 1.00 0.00 C ATOM 126 CD2 TYR A 11 77.584 -15.835 6.590 1.00 0.00 C ATOM 127 CE1 TYR A 11 79.056 -16.041 8.963 1.00 0.00 C ATOM 128 CE2 TYR A 11 77.037 -16.493 7.699 1.00 0.00 C ATOM 129 CZ TYR A 11 77.774 -16.596 8.885 1.00 0.00 C ATOM 130 OH TYR A 11 77.235 -17.246 9.977 1.00 0.00 O ATOM 0 H TYR A 11 77.758 -13.139 6.519 1.00 0.00 H new ATOM 0 HA TYR A 11 80.585 -13.071 6.529 1.00 0.00 H new ATOM 0 HB2 TYR A 11 78.761 -14.612 4.633 1.00 0.00 H new ATOM 0 HB3 TYR A 11 80.372 -15.064 5.156 1.00 0.00 H new ATOM 0 HD1 TYR A 11 80.592 -14.953 7.916 1.00 0.00 H new ATOM 0 HD2 TYR A 11 77.016 -15.756 5.675 1.00 0.00 H new ATOM 0 HE1 TYR A 11 79.624 -16.121 9.878 1.00 0.00 H new ATOM 0 HE2 TYR A 11 76.047 -16.921 7.639 1.00 0.00 H new ATOM 0 HH TYR A 11 76.338 -17.571 9.754 1.00 0.00 H new ATOM 140 N SER A 12 80.531 -13.036 3.541 1.00 0.00 N ATOM 141 CA SER A 12 80.907 -12.382 2.294 1.00 0.00 C ATOM 142 C SER A 12 79.790 -11.456 1.832 1.00 0.00 C ATOM 143 O SER A 12 80.030 -10.472 1.133 1.00 0.00 O ATOM 144 CB SER A 12 81.188 -13.429 1.217 1.00 0.00 C ATOM 145 OG SER A 12 80.775 -14.706 1.684 1.00 0.00 O ATOM 0 H SER A 12 80.619 -14.052 3.534 1.00 0.00 H new ATOM 0 HA SER A 12 81.809 -11.795 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 12 80.657 -13.175 0.300 1.00 0.00 H new ATOM 0 HB3 SER A 12 82.251 -13.443 0.976 1.00 0.00 H new ATOM 0 HG SER A 12 80.952 -15.380 0.995 1.00 0.00 H new ATOM 151 N GLN A 13 78.566 -11.780 2.236 1.00 0.00 N ATOM 152 CA GLN A 13 77.411 -10.974 1.870 1.00 0.00 C ATOM 153 C GLN A 13 77.626 -9.517 2.266 1.00 0.00 C ATOM 154 O GLN A 13 77.443 -8.608 1.458 1.00 0.00 O ATOM 155 CB GLN A 13 76.163 -11.518 2.566 1.00 0.00 C ATOM 156 CG GLN A 13 74.961 -11.419 1.619 1.00 0.00 C ATOM 157 CD GLN A 13 73.696 -11.963 2.299 1.00 0.00 C ATOM 158 OE1 GLN A 13 72.903 -11.181 2.823 1.00 0.00 O ATOM 159 NE2 GLN A 13 73.444 -13.256 2.330 1.00 0.00 N ATOM 0 H GLN A 13 78.351 -12.592 2.815 1.00 0.00 H new ATOM 0 HA GLN A 13 77.279 -11.025 0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 13 76.322 -12.555 2.861 1.00 0.00 H new ATOM 0 HB3 GLN A 13 75.968 -10.954 3.478 1.00 0.00 H new ATOM 0 HG2 GLN A 13 74.806 -10.381 1.326 1.00 0.00 H new ATOM 0 HG3 GLN A 13 75.161 -11.981 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 13 74.094 -13.913 1.899 1.00 0.00 H new ATOM 0 HE22 GLN A 13 72.598 -13.600 2.785 1.00 0.00 H new ATOM 168 N ASP A 14 78.007 -9.303 3.522 1.00 0.00 N ATOM 169 CA ASP A 14 78.238 -7.950 4.022 1.00 0.00 C ATOM 170 C ASP A 14 79.549 -7.377 3.486 1.00 0.00 C ATOM 171 O ASP A 14 79.647 -6.180 3.219 1.00 0.00 O ATOM 172 CB ASP A 14 78.277 -7.961 5.551 1.00 0.00 C ATOM 173 CG ASP A 14 77.117 -7.142 6.108 1.00 0.00 C ATOM 174 OD1 ASP A 14 76.010 -7.654 6.125 1.00 0.00 O ATOM 175 OD2 ASP A 14 77.353 -6.015 6.510 1.00 0.00 O ATOM 0 H ASP A 14 78.162 -10.042 4.208 1.00 0.00 H new ATOM 0 HA ASP A 14 77.419 -7.320 3.676 1.00 0.00 H new ATOM 0 HB2 ASP A 14 78.218 -8.986 5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 14 79.224 -7.551 5.902 1.00 0.00 H new ATOM 180 N THR A 15 80.556 -8.233 3.349 1.00 0.00 N ATOM 181 CA THR A 15 81.857 -7.786 2.864 1.00 0.00 C ATOM 182 C THR A 15 81.736 -7.088 1.513 1.00 0.00 C ATOM 183 O THR A 15 82.288 -6.007 1.321 1.00 0.00 O ATOM 184 CB THR A 15 82.809 -8.976 2.737 1.00 0.00 C ATOM 185 OG1 THR A 15 82.676 -9.809 3.880 1.00 0.00 O ATOM 186 CG2 THR A 15 84.249 -8.469 2.635 1.00 0.00 C ATOM 0 H THR A 15 80.499 -9.228 3.564 1.00 0.00 H new ATOM 0 HA THR A 15 82.253 -7.073 3.587 1.00 0.00 H new ATOM 0 HB THR A 15 82.564 -9.547 1.841 1.00 0.00 H new ATOM 0 HG1 THR A 15 83.284 -10.573 3.800 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.928 -9.317 2.544 1.00 0.00 H new ATOM 0 HG22 THR A 15 84.348 -7.829 1.758 1.00 0.00 H new ATOM 0 HG23 THR A 15 84.498 -7.899 3.530 1.00 0.00 H new ATOM 194 N LEU A 16 81.017 -7.705 0.579 1.00 0.00 N ATOM 195 CA LEU A 16 80.852 -7.112 -0.746 1.00 0.00 C ATOM 196 C LEU A 16 79.868 -5.948 -0.702 1.00 0.00 C ATOM 197 O LEU A 16 79.991 -4.992 -1.469 1.00 0.00 O ATOM 198 CB LEU A 16 80.370 -8.163 -1.753 1.00 0.00 C ATOM 199 CG LEU A 16 79.115 -8.864 -1.228 1.00 0.00 C ATOM 200 CD1 LEU A 16 77.872 -8.239 -1.867 1.00 0.00 C ATOM 201 CD2 LEU A 16 79.180 -10.349 -1.594 1.00 0.00 C ATOM 0 H LEU A 16 80.546 -8.600 0.710 1.00 0.00 H new ATOM 0 HA LEU A 16 81.824 -6.736 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 16 80.156 -7.688 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 16 81.157 -8.896 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 16 79.060 -8.752 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 16 76.979 -8.740 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 16 77.827 -7.180 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 16 77.924 -8.352 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 16 78.289 -10.855 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 16 79.232 -10.455 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 16 80.065 -10.797 -1.143 1.00 0.00 H new ATOM 213 N THR A 17 78.892 -6.029 0.196 1.00 0.00 N ATOM 214 CA THR A 17 77.901 -4.967 0.321 1.00 0.00 C ATOM 215 C THR A 17 78.586 -3.631 0.585 1.00 0.00 C ATOM 216 O THR A 17 78.330 -2.644 -0.105 1.00 0.00 O ATOM 217 CB THR A 17 76.932 -5.284 1.463 1.00 0.00 C ATOM 218 OG1 THR A 17 76.286 -6.521 1.202 1.00 0.00 O ATOM 219 CG2 THR A 17 75.886 -4.172 1.572 1.00 0.00 C ATOM 0 H THR A 17 78.766 -6.809 0.841 1.00 0.00 H new ATOM 0 HA THR A 17 77.344 -4.901 -0.614 1.00 0.00 H new ATOM 0 HB THR A 17 77.484 -5.352 2.400 1.00 0.00 H new ATOM 0 HG1 THR A 17 76.817 -7.253 1.579 1.00 0.00 H new ATOM 0 HG21 THR A 17 75.197 -4.399 2.385 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.383 -3.223 1.772 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.332 -4.101 0.636 1.00 0.00 H new ATOM 227 N VAL A 18 79.460 -3.607 1.584 1.00 0.00 N ATOM 228 CA VAL A 18 80.181 -2.386 1.925 1.00 0.00 C ATOM 229 C VAL A 18 81.170 -2.023 0.820 1.00 0.00 C ATOM 230 O VAL A 18 81.155 -0.908 0.302 1.00 0.00 O ATOM 231 CB VAL A 18 80.929 -2.572 3.246 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.643 -1.272 3.619 1.00 0.00 C ATOM 233 CG2 VAL A 18 79.930 -2.937 4.346 1.00 0.00 C ATOM 0 H VAL A 18 79.686 -4.412 2.168 1.00 0.00 H new ATOM 0 HA VAL A 18 79.459 -1.576 2.030 1.00 0.00 H new ATOM 0 HB VAL A 18 81.664 -3.370 3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 18 82.175 -1.407 4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.353 -1.009 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 18 80.910 -0.473 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 18 80.460 -3.070 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 18 79.197 -2.137 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 18 79.421 -3.864 4.082 1.00 0.00 H new ATOM 243 N ILE A 19 82.028 -2.976 0.466 1.00 0.00 N ATOM 244 CA ILE A 19 83.022 -2.751 -0.578 1.00 0.00 C ATOM 245 C ILE A 19 82.361 -2.295 -1.864 1.00 0.00 C ATOM 246 O ILE A 19 82.970 -1.590 -2.668 1.00 0.00 O ATOM 247 CB ILE A 19 83.830 -4.036 -0.817 1.00 0.00 C ATOM 248 CG1 ILE A 19 85.232 -3.860 -0.226 1.00 0.00 C ATOM 249 CG2 ILE A 19 83.947 -4.327 -2.318 1.00 0.00 C ATOM 250 CD1 ILE A 19 86.026 -5.164 -0.367 1.00 0.00 C ATOM 0 H ILE A 19 82.055 -3.906 0.884 1.00 0.00 H new ATOM 0 HA ILE A 19 83.698 -1.962 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 19 83.319 -4.871 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 19 85.752 -3.050 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 19 85.160 -3.580 0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 19 84.522 -5.241 -2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 19 82.951 -4.452 -2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 19 84.451 -3.496 -2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 19 87.022 -5.031 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 19 85.510 -5.963 0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 19 86.111 -5.426 -1.422 1.00 0.00 H new ATOM 262 N ALA A 20 81.121 -2.706 -2.066 1.00 0.00 N ATOM 263 CA ALA A 20 80.419 -2.328 -3.275 1.00 0.00 C ATOM 264 C ALA A 20 80.271 -0.814 -3.359 1.00 0.00 C ATOM 265 O ALA A 20 80.346 -0.233 -4.443 1.00 0.00 O ATOM 266 CB ALA A 20 79.041 -2.991 -3.319 1.00 0.00 C ATOM 0 H ALA A 20 80.590 -3.290 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 20 81.003 -2.669 -4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 20 78.525 -2.698 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 20 79.158 -4.075 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 20 78.457 -2.674 -2.455 1.00 0.00 H new ATOM 272 N THR A 21 80.066 -0.179 -2.211 1.00 0.00 N ATOM 273 CA THR A 21 79.916 1.271 -2.173 1.00 0.00 C ATOM 274 C THR A 21 81.236 1.955 -2.518 1.00 0.00 C ATOM 275 O THR A 21 81.256 2.976 -3.207 1.00 0.00 O ATOM 276 CB THR A 21 79.456 1.713 -0.781 1.00 0.00 C ATOM 277 OG1 THR A 21 78.321 0.951 -0.396 1.00 0.00 O ATOM 278 CG2 THR A 21 79.092 3.198 -0.811 1.00 0.00 C ATOM 0 H THR A 21 80.000 -0.639 -1.303 1.00 0.00 H new ATOM 0 HA THR A 21 79.167 1.560 -2.910 1.00 0.00 H new ATOM 0 HB THR A 21 80.260 1.554 -0.063 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.026 1.231 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 21 78.765 3.512 0.180 1.00 0.00 H new ATOM 0 HG22 THR A 21 79.965 3.781 -1.107 1.00 0.00 H new ATOM 0 HG23 THR A 21 78.287 3.361 -1.528 1.00 0.00 H new ATOM 286 N LEU A 22 82.338 1.386 -2.038 1.00 0.00 N ATOM 287 CA LEU A 22 83.656 1.950 -2.305 1.00 0.00 C ATOM 288 C LEU A 22 83.987 1.848 -3.790 1.00 0.00 C ATOM 289 O LEU A 22 84.379 2.831 -4.420 1.00 0.00 O ATOM 290 CB LEU A 22 84.712 1.190 -1.506 1.00 0.00 C ATOM 291 CG LEU A 22 84.700 1.661 -0.051 1.00 0.00 C ATOM 292 CD1 LEU A 22 83.371 1.275 0.602 1.00 0.00 C ATOM 293 CD2 LEU A 22 85.851 0.995 0.707 1.00 0.00 C ATOM 0 H LEU A 22 82.345 0.541 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 22 83.651 2.999 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 22 84.515 0.119 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 22 85.698 1.352 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 22 84.818 2.744 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.364 1.611 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 22 82.550 1.746 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 22 83.251 0.192 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 22 85.845 1.329 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 22 85.730 -0.088 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 22 86.799 1.269 0.243 1.00 0.00 H new ATOM 305 N ARG A 23 83.818 0.653 -4.341 1.00 0.00 N ATOM 306 CA ARG A 23 84.090 0.425 -5.753 1.00 0.00 C ATOM 307 C ARG A 23 83.137 1.248 -6.600 1.00 0.00 C ATOM 308 O ARG A 23 83.475 1.671 -7.705 1.00 0.00 O ATOM 309 CB ARG A 23 83.928 -1.065 -6.077 1.00 0.00 C ATOM 310 CG ARG A 23 85.011 -1.868 -5.341 1.00 0.00 C ATOM 311 CD ARG A 23 85.071 -3.308 -5.876 1.00 0.00 C ATOM 312 NE ARG A 23 84.129 -4.164 -5.167 1.00 0.00 N ATOM 313 CZ ARG A 23 82.851 -4.229 -5.526 1.00 0.00 C ATOM 314 NH1 ARG A 23 82.421 -3.528 -6.540 1.00 0.00 N ATOM 315 NH2 ARG A 23 82.029 -5.002 -4.872 1.00 0.00 N ATOM 0 H ARG A 23 83.495 -0.170 -3.833 1.00 0.00 H new ATOM 0 HA ARG A 23 85.113 0.728 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 23 82.938 -1.408 -5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 23 84.008 -1.225 -7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 23 85.980 -1.386 -5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 23 84.800 -1.880 -4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 23 84.843 -3.314 -6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 23 86.082 -3.701 -5.763 1.00 0.00 H new ATOM 0 HE ARG A 23 84.457 -4.724 -4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 23 83.066 -2.930 -7.057 1.00 0.00 H new ATOM 0 HH12 ARG A 23 81.440 -3.578 -6.815 1.00 0.00 H new ATOM 0 HH21 ARG A 23 82.367 -5.556 -4.085 1.00 0.00 H new ATOM 0 HH22 ARG A 23 81.048 -5.052 -5.147 1.00 0.00 H new ATOM 329 N GLU A 24 81.947 1.480 -6.068 1.00 0.00 N ATOM 330 CA GLU A 24 80.952 2.266 -6.780 1.00 0.00 C ATOM 331 C GLU A 24 81.292 3.746 -6.692 1.00 0.00 C ATOM 332 O GLU A 24 80.936 4.535 -7.562 1.00 0.00 O ATOM 333 CB GLU A 24 79.564 2.012 -6.187 1.00 0.00 C ATOM 334 CG GLU A 24 78.503 2.728 -7.024 1.00 0.00 C ATOM 335 CD GLU A 24 77.201 1.935 -7.001 1.00 0.00 C ATOM 336 OE1 GLU A 24 77.265 0.725 -7.141 1.00 0.00 O ATOM 337 OE2 GLU A 24 76.159 2.551 -6.842 1.00 0.00 O ATOM 0 H GLU A 24 81.649 1.139 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 24 80.951 1.967 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.359 0.942 -6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.528 2.367 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 24 78.335 3.731 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 24 78.852 2.841 -8.050 1.00 0.00 H new ATOM 344 N ALA A 25 81.985 4.105 -5.627 1.00 0.00 N ATOM 345 CA ALA A 25 82.377 5.493 -5.400 1.00 0.00 C ATOM 346 C ALA A 25 83.534 5.904 -6.309 1.00 0.00 C ATOM 347 O ALA A 25 83.549 7.015 -6.838 1.00 0.00 O ATOM 348 CB ALA A 25 82.787 5.682 -3.939 1.00 0.00 C ATOM 0 H ALA A 25 82.291 3.457 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 25 81.520 6.125 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 25 83.079 6.719 -3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.947 5.434 -3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 25 83.628 5.028 -3.710 1.00 0.00 H new ATOM 354 N ILE A 26 84.504 5.011 -6.481 1.00 0.00 N ATOM 355 CA ILE A 26 85.656 5.315 -7.324 1.00 0.00 C ATOM 356 C ILE A 26 85.209 5.636 -8.740 1.00 0.00 C ATOM 357 O ILE A 26 85.817 6.460 -9.422 1.00 0.00 O ATOM 358 CB ILE A 26 86.632 4.135 -7.350 1.00 0.00 C ATOM 359 CG1 ILE A 26 88.053 4.658 -7.599 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.243 3.166 -8.471 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.905 3.561 -8.240 1.00 0.00 C ATOM 0 H ILE A 26 84.517 4.084 -6.055 1.00 0.00 H new ATOM 0 HA ILE A 26 86.161 6.184 -6.903 1.00 0.00 H new ATOM 0 HB ILE A 26 86.594 3.613 -6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 26 88.020 5.532 -8.250 1.00 0.00 H new ATOM 0 HG13 ILE A 26 88.503 4.977 -6.659 1.00 0.00 H new ATOM 0 HG21 ILE A 26 86.940 2.328 -8.486 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.233 2.795 -8.297 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.279 3.685 -9.429 1.00 0.00 H new ATOM 0 HD11 ILE A 26 89.913 3.938 -8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.950 2.699 -7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.460 3.263 -9.189 1.00 0.00 H new ATOM 373 N ASP A 27 84.145 4.977 -9.180 1.00 0.00 N ATOM 374 CA ASP A 27 83.637 5.208 -10.528 1.00 0.00 C ATOM 375 C ASP A 27 82.162 4.836 -10.634 1.00 0.00 C ATOM 376 O ASP A 27 81.781 3.989 -11.442 1.00 0.00 O ATOM 377 CB ASP A 27 84.450 4.393 -11.537 1.00 0.00 C ATOM 378 CG ASP A 27 85.675 5.187 -11.977 1.00 0.00 C ATOM 379 OD1 ASP A 27 85.527 6.039 -12.839 1.00 0.00 O ATOM 380 OD2 ASP A 27 86.744 4.932 -11.448 1.00 0.00 O ATOM 0 H ASP A 27 83.624 4.290 -8.635 1.00 0.00 H new ATOM 0 HA ASP A 27 83.737 6.270 -10.750 1.00 0.00 H new ATOM 0 HB2 ASP A 27 84.759 3.448 -11.090 1.00 0.00 H new ATOM 0 HB3 ASP A 27 83.833 4.149 -12.402 1.00 0.00 H new ATOM 385 N LEU A 28 81.331 5.483 -9.825 1.00 0.00 N ATOM 386 CA LEU A 28 79.897 5.211 -9.863 1.00 0.00 C ATOM 387 C LEU A 28 79.350 5.533 -11.252 1.00 0.00 C ATOM 388 O LEU A 28 79.974 6.282 -12.004 1.00 0.00 O ATOM 389 CB LEU A 28 79.145 6.057 -8.825 1.00 0.00 C ATOM 390 CG LEU A 28 79.980 7.268 -8.409 1.00 0.00 C ATOM 391 CD1 LEU A 28 80.335 8.100 -9.643 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.160 8.122 -7.447 1.00 0.00 C ATOM 0 H LEU A 28 81.617 6.188 -9.146 1.00 0.00 H new ATOM 0 HA LEU A 28 79.748 4.156 -9.632 1.00 0.00 H new ATOM 0 HB2 LEU A 28 78.194 6.390 -9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 28 78.916 5.449 -7.950 1.00 0.00 H new ATOM 0 HG LEU A 28 80.898 6.932 -7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 28 80.930 8.962 -9.342 1.00 0.00 H new ATOM 0 HD12 LEU A 28 80.908 7.490 -10.341 1.00 0.00 H new ATOM 0 HD13 LEU A 28 79.420 8.442 -10.127 1.00 0.00 H new ATOM 0 HD21 LEU A 28 79.745 8.990 -7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.248 8.455 -7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 28 78.901 7.532 -6.568 1.00 0.00 H new ATOM 404 N PRO A 29 78.201 5.013 -11.605 1.00 0.00 N ATOM 405 CA PRO A 29 77.590 5.299 -12.932 1.00 0.00 C ATOM 406 C PRO A 29 77.574 6.800 -13.215 1.00 0.00 C ATOM 407 O PRO A 29 77.552 7.611 -12.289 1.00 0.00 O ATOM 408 CB PRO A 29 76.166 4.753 -12.811 1.00 0.00 C ATOM 409 CG PRO A 29 76.214 3.726 -11.728 1.00 0.00 C ATOM 410 CD PRO A 29 77.369 4.104 -10.799 1.00 0.00 C ATOM 0 HA PRO A 29 78.145 4.846 -13.753 1.00 0.00 H new ATOM 0 HB2 PRO A 29 75.462 5.548 -12.565 1.00 0.00 H new ATOM 0 HB3 PRO A 29 75.834 4.314 -13.752 1.00 0.00 H new ATOM 0 HG2 PRO A 29 75.272 3.700 -11.180 1.00 0.00 H new ATOM 0 HG3 PRO A 29 76.367 2.731 -12.147 1.00 0.00 H new ATOM 0 HD2 PRO A 29 77.008 4.592 -9.894 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.931 3.224 -10.484 1.00 0.00 H new ATOM 418 N GLN A 30 77.593 7.168 -14.489 1.00 0.00 N ATOM 419 CA GLN A 30 77.589 8.579 -14.861 1.00 0.00 C ATOM 420 C GLN A 30 76.369 9.290 -14.286 1.00 0.00 C ATOM 421 O GLN A 30 76.177 10.487 -14.504 1.00 0.00 O ATOM 422 CB GLN A 30 77.598 8.721 -16.382 1.00 0.00 C ATOM 423 CG GLN A 30 79.040 8.884 -16.862 1.00 0.00 C ATOM 424 CD GLN A 30 79.069 9.024 -18.380 1.00 0.00 C ATOM 425 OE1 GLN A 30 77.947 9.011 -19.047 1.00 0.00 O flip ATOM 426 NE2 GLN A 30 80.140 9.149 -18.974 1.00 0.00 N flip ATOM 0 H GLN A 30 77.611 6.519 -15.275 1.00 0.00 H new ATOM 0 HA GLN A 30 78.486 9.041 -14.449 1.00 0.00 H new ATOM 0 HB2 GLN A 30 77.145 7.844 -16.844 1.00 0.00 H new ATOM 0 HB3 GLN A 30 77.002 9.583 -16.682 1.00 0.00 H new ATOM 0 HG2 GLN A 30 79.490 9.762 -16.398 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.634 8.023 -16.556 1.00 0.00 H new ATOM 0 HE21 GLN A 30 81.015 9.159 -18.451 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.152 9.243 -19.990 1.00 0.00 H new ATOM 435 N ASP A 31 75.549 8.552 -13.547 1.00 0.00 N ATOM 436 CA ASP A 31 74.355 9.128 -12.942 1.00 0.00 C ATOM 437 C ASP A 31 74.679 9.698 -11.564 1.00 0.00 C ATOM 438 O ASP A 31 73.781 9.954 -10.762 1.00 0.00 O ATOM 439 CB ASP A 31 73.270 8.058 -12.808 1.00 0.00 C ATOM 440 CG ASP A 31 71.898 8.667 -13.082 1.00 0.00 C ATOM 441 OD1 ASP A 31 71.670 9.081 -14.206 1.00 0.00 O ATOM 442 OD2 ASP A 31 71.098 8.710 -12.163 1.00 0.00 O ATOM 0 H ASP A 31 75.688 7.560 -13.353 1.00 0.00 H new ATOM 0 HA ASP A 31 73.995 9.932 -13.584 1.00 0.00 H new ATOM 0 HB2 ASP A 31 73.462 7.244 -13.508 1.00 0.00 H new ATOM 0 HB3 ASP A 31 73.293 7.629 -11.806 1.00 0.00 H new ATOM 447 N ALA A 32 75.967 9.892 -11.295 1.00 0.00 N ATOM 448 CA ALA A 32 76.395 10.427 -10.010 1.00 0.00 C ATOM 449 C ALA A 32 77.676 11.243 -10.170 1.00 0.00 C ATOM 450 O ALA A 32 78.735 10.842 -9.689 1.00 0.00 O ATOM 451 CB ALA A 32 76.646 9.281 -9.029 1.00 0.00 C ATOM 0 H ALA A 32 76.726 9.688 -11.945 1.00 0.00 H new ATOM 0 HA ALA A 32 75.607 11.074 -9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 32 76.966 9.687 -8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 32 75.727 8.710 -8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 32 77.424 8.628 -9.424 1.00 0.00 H new ATOM 457 N PRO A 33 77.605 12.373 -10.831 1.00 0.00 N ATOM 458 CA PRO A 33 78.798 13.243 -11.043 1.00 0.00 C ATOM 459 C PRO A 33 79.333 13.805 -9.726 1.00 0.00 C ATOM 460 O PRO A 33 80.020 14.827 -9.707 1.00 0.00 O ATOM 461 CB PRO A 33 78.297 14.363 -11.960 1.00 0.00 C ATOM 462 CG PRO A 33 76.808 14.355 -11.853 1.00 0.00 C ATOM 463 CD PRO A 33 76.393 12.941 -11.445 1.00 0.00 C ATOM 0 HA PRO A 33 79.631 12.690 -11.477 1.00 0.00 H new ATOM 0 HB2 PRO A 33 78.704 15.327 -11.655 1.00 0.00 H new ATOM 0 HB3 PRO A 33 78.614 14.194 -12.989 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.471 15.083 -11.115 1.00 0.00 H new ATOM 0 HG3 PRO A 33 76.352 14.631 -12.804 1.00 0.00 H new ATOM 0 HD2 PRO A 33 75.560 12.957 -10.742 1.00 0.00 H new ATOM 0 HD3 PRO A 33 76.071 12.356 -12.307 1.00 0.00 H new ATOM 471 N ASN A 34 79.016 13.122 -8.630 1.00 0.00 N ATOM 472 CA ASN A 34 79.467 13.543 -7.311 1.00 0.00 C ATOM 473 C ASN A 34 79.978 12.335 -6.531 1.00 0.00 C ATOM 474 O ASN A 34 79.395 11.938 -5.523 1.00 0.00 O ATOM 475 CB ASN A 34 78.317 14.200 -6.545 1.00 0.00 C ATOM 476 CG ASN A 34 77.046 13.369 -6.696 1.00 0.00 C ATOM 477 OD1 ASN A 34 77.107 12.072 -6.567 1.00 0.00 O flip ATOM 478 ND2 ASN A 34 75.971 13.917 -6.939 1.00 0.00 N flip ATOM 0 H ASN A 34 78.448 12.275 -8.631 1.00 0.00 H new ATOM 0 HA ASN A 34 80.274 14.266 -7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 34 78.578 14.292 -5.491 1.00 0.00 H new ATOM 0 HB3 ASN A 34 78.148 15.209 -6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 34 75.927 14.931 -7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 34 75.124 13.357 -7.040 1.00 0.00 H new ATOM 485 N ARG A 35 81.070 11.756 -7.016 1.00 0.00 N ATOM 486 CA ARG A 35 81.662 10.587 -6.375 1.00 0.00 C ATOM 487 C ARG A 35 81.912 10.855 -4.893 1.00 0.00 C ATOM 488 O ARG A 35 82.085 9.926 -4.104 1.00 0.00 O ATOM 489 CB ARG A 35 82.983 10.216 -7.061 1.00 0.00 C ATOM 490 CG ARG A 35 83.435 11.346 -7.996 1.00 0.00 C ATOM 491 CD ARG A 35 82.665 11.264 -9.319 1.00 0.00 C ATOM 492 NE ARG A 35 82.648 12.565 -9.977 1.00 0.00 N ATOM 493 CZ ARG A 35 82.169 12.704 -11.208 1.00 0.00 C ATOM 494 NH1 ARG A 35 81.699 11.667 -11.845 1.00 0.00 N ATOM 495 NH2 ARG A 35 82.167 13.878 -11.780 1.00 0.00 N ATOM 0 H ARG A 35 81.563 12.076 -7.850 1.00 0.00 H new ATOM 0 HA ARG A 35 80.963 9.756 -6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.750 10.028 -6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.859 9.293 -7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.262 12.313 -7.523 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.506 11.270 -8.183 1.00 0.00 H new ATOM 0 HD2 ARG A 35 83.129 10.525 -9.972 1.00 0.00 H new ATOM 0 HD3 ARG A 35 81.644 10.930 -9.133 1.00 0.00 H new ATOM 0 HE ARG A 35 83.010 13.381 -9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.700 10.750 -11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 35 81.331 11.773 -12.790 1.00 0.00 H new ATOM 0 HH21 ARG A 35 82.533 14.689 -11.281 1.00 0.00 H new ATOM 0 HH22 ARG A 35 81.799 13.984 -12.725 1.00 0.00 H new ATOM 509 N GLN A 36 81.933 12.132 -4.525 1.00 0.00 N ATOM 510 CA GLN A 36 82.167 12.518 -3.137 1.00 0.00 C ATOM 511 C GLN A 36 80.918 12.305 -2.283 1.00 0.00 C ATOM 512 O GLN A 36 80.999 11.800 -1.164 1.00 0.00 O ATOM 513 CB GLN A 36 82.584 13.988 -3.074 1.00 0.00 C ATOM 514 CG GLN A 36 83.935 14.166 -3.770 1.00 0.00 C ATOM 515 CD GLN A 36 84.119 15.618 -4.192 1.00 0.00 C ATOM 516 OE1 GLN A 36 83.988 15.945 -5.371 1.00 0.00 O ATOM 517 NE2 GLN A 36 84.418 16.516 -3.293 1.00 0.00 N ATOM 0 H GLN A 36 81.792 12.914 -5.164 1.00 0.00 H new ATOM 0 HA GLN A 36 82.964 11.888 -2.741 1.00 0.00 H new ATOM 0 HB2 GLN A 36 81.830 14.612 -3.555 1.00 0.00 H new ATOM 0 HB3 GLN A 36 82.652 14.313 -2.036 1.00 0.00 H new ATOM 0 HG2 GLN A 36 84.741 13.869 -3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 36 83.992 13.515 -4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 36 84.526 16.243 -2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 36 84.543 17.490 -3.567 1.00 0.00 H new ATOM 526 N GLU A 37 79.767 12.710 -2.811 1.00 0.00 N ATOM 527 CA GLU A 37 78.508 12.577 -2.080 1.00 0.00 C ATOM 528 C GLU A 37 78.182 11.116 -1.790 1.00 0.00 C ATOM 529 O GLU A 37 77.996 10.736 -0.633 1.00 0.00 O ATOM 530 CB GLU A 37 77.368 13.205 -2.883 1.00 0.00 C ATOM 531 CG GLU A 37 77.365 14.720 -2.666 1.00 0.00 C ATOM 532 CD GLU A 37 76.617 15.062 -1.382 1.00 0.00 C ATOM 533 OE1 GLU A 37 77.207 14.925 -0.322 1.00 0.00 O ATOM 534 OE2 GLU A 37 75.467 15.455 -1.476 1.00 0.00 O ATOM 0 H GLU A 37 79.678 13.131 -3.736 1.00 0.00 H new ATOM 0 HA GLU A 37 78.620 13.097 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 37 77.488 12.979 -3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.413 12.781 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 37 78.389 15.089 -2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.894 15.216 -3.514 1.00 0.00 H new ATOM 541 N VAL A 38 78.107 10.300 -2.834 1.00 0.00 N ATOM 542 CA VAL A 38 77.794 8.889 -2.647 1.00 0.00 C ATOM 543 C VAL A 38 78.680 8.304 -1.556 1.00 0.00 C ATOM 544 O VAL A 38 78.246 7.458 -0.776 1.00 0.00 O ATOM 545 CB VAL A 38 78.008 8.122 -3.952 1.00 0.00 C ATOM 546 CG1 VAL A 38 77.831 6.625 -3.698 1.00 0.00 C ATOM 547 CG2 VAL A 38 76.987 8.586 -4.997 1.00 0.00 C ATOM 0 H VAL A 38 78.256 10.584 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 38 76.749 8.797 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 38 79.015 8.313 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 38 77.983 6.078 -4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.559 6.293 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 38 76.824 6.436 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 38 77.142 8.037 -5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 38 75.978 8.398 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 38 77.113 9.653 -5.180 1.00 0.00 H new ATOM 557 N GLN A 39 79.922 8.773 -1.499 1.00 0.00 N ATOM 558 CA GLN A 39 80.855 8.298 -0.487 1.00 0.00 C ATOM 559 C GLN A 39 80.316 8.610 0.906 1.00 0.00 C ATOM 560 O GLN A 39 80.537 7.852 1.850 1.00 0.00 O ATOM 561 CB GLN A 39 82.221 8.961 -0.674 1.00 0.00 C ATOM 562 CG GLN A 39 83.277 8.180 0.112 1.00 0.00 C ATOM 563 CD GLN A 39 84.343 9.132 0.643 1.00 0.00 C ATOM 564 OE1 GLN A 39 84.024 10.102 1.330 1.00 0.00 O ATOM 565 NE2 GLN A 39 85.599 8.910 0.364 1.00 0.00 N ATOM 0 H GLN A 39 80.302 9.474 -2.135 1.00 0.00 H new ATOM 0 HA GLN A 39 80.968 7.219 -0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.484 8.986 -1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.186 9.995 -0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 39 82.807 7.649 0.940 1.00 0.00 H new ATOM 0 HG3 GLN A 39 83.737 7.428 -0.529 1.00 0.00 H new ATOM 0 HE21 GLN A 39 85.860 8.105 -0.206 1.00 0.00 H new ATOM 0 HE22 GLN A 39 86.319 9.541 0.716 1.00 0.00 H new ATOM 574 N ASP A 40 79.601 9.727 1.024 1.00 0.00 N ATOM 575 CA ASP A 40 79.029 10.120 2.308 1.00 0.00 C ATOM 576 C ASP A 40 78.126 9.014 2.843 1.00 0.00 C ATOM 577 O ASP A 40 78.182 8.671 4.024 1.00 0.00 O ATOM 578 CB ASP A 40 78.221 11.410 2.149 1.00 0.00 C ATOM 579 CG ASP A 40 76.736 11.083 2.038 1.00 0.00 C ATOM 580 OD1 ASP A 40 76.155 10.705 3.042 1.00 0.00 O ATOM 581 OD2 ASP A 40 76.201 11.213 0.948 1.00 0.00 O ATOM 0 H ASP A 40 79.406 10.369 0.255 1.00 0.00 H new ATOM 0 HA ASP A 40 79.842 10.289 3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 40 78.395 12.066 3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 40 78.551 11.949 1.261 1.00 0.00 H new ATOM 586 N THR A 41 77.300 8.456 1.964 1.00 0.00 N ATOM 587 CA THR A 41 76.397 7.383 2.360 1.00 0.00 C ATOM 588 C THR A 41 77.191 6.223 2.947 1.00 0.00 C ATOM 589 O THR A 41 76.777 5.606 3.928 1.00 0.00 O ATOM 590 CB THR A 41 75.592 6.898 1.150 1.00 0.00 C ATOM 591 OG1 THR A 41 74.399 7.663 1.040 1.00 0.00 O ATOM 592 CG2 THR A 41 75.239 5.421 1.327 1.00 0.00 C ATOM 0 H THR A 41 77.237 8.726 0.982 1.00 0.00 H new ATOM 0 HA THR A 41 75.710 7.765 3.115 1.00 0.00 H new ATOM 0 HB THR A 41 76.187 7.020 0.245 1.00 0.00 H new ATOM 0 HG1 THR A 41 73.883 7.355 0.265 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.666 5.078 0.465 1.00 0.00 H new ATOM 0 HG22 THR A 41 76.155 4.836 1.411 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.644 5.295 2.231 1.00 0.00 H new ATOM 600 N ALA A 42 78.340 5.940 2.344 1.00 0.00 N ATOM 601 CA ALA A 42 79.194 4.861 2.821 1.00 0.00 C ATOM 602 C ALA A 42 79.752 5.211 4.197 1.00 0.00 C ATOM 603 O ALA A 42 79.936 4.336 5.044 1.00 0.00 O ATOM 604 CB ALA A 42 80.345 4.629 1.841 1.00 0.00 C ATOM 0 H ALA A 42 78.699 6.439 1.530 1.00 0.00 H new ATOM 0 HA ALA A 42 78.601 3.949 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 42 80.977 3.820 2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 42 79.943 4.361 0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 42 80.937 5.540 1.752 1.00 0.00 H new ATOM 610 N ARG A 43 80.010 6.497 4.413 1.00 0.00 N ATOM 611 CA ARG A 43 80.539 6.956 5.691 1.00 0.00 C ATOM 612 C ARG A 43 79.667 6.452 6.834 1.00 0.00 C ATOM 613 O ARG A 43 80.169 6.050 7.883 1.00 0.00 O ATOM 614 CB ARG A 43 80.590 8.486 5.721 1.00 0.00 C ATOM 615 CG ARG A 43 81.599 8.942 6.778 1.00 0.00 C ATOM 616 CD ARG A 43 81.746 10.464 6.723 1.00 0.00 C ATOM 617 NE ARG A 43 83.077 10.857 7.173 1.00 0.00 N ATOM 618 CZ ARG A 43 83.562 12.066 6.910 1.00 0.00 C ATOM 619 NH1 ARG A 43 82.845 12.927 6.241 1.00 0.00 N ATOM 620 NH2 ARG A 43 84.758 12.391 7.322 1.00 0.00 N ATOM 0 H ARG A 43 79.862 7.235 3.724 1.00 0.00 H new ATOM 0 HA ARG A 43 81.548 6.561 5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 43 80.874 8.870 4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 43 79.603 8.889 5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 43 81.267 8.634 7.769 1.00 0.00 H new ATOM 0 HG3 ARG A 43 82.564 8.467 6.603 1.00 0.00 H new ATOM 0 HD2 ARG A 43 81.579 10.816 5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 43 80.988 10.933 7.351 1.00 0.00 H new ATOM 0 HE ARG A 43 83.645 10.192 7.698 1.00 0.00 H new ATOM 0 HH11 ARG A 43 81.911 12.672 5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 43 83.218 13.855 6.040 1.00 0.00 H new ATOM 0 HH21 ARG A 43 85.318 11.717 7.845 1.00 0.00 H new ATOM 0 HH22 ARG A 43 85.132 13.318 7.121 1.00 0.00 H new ATOM 634 N GLY A 44 78.356 6.470 6.620 1.00 0.00 N ATOM 635 CA GLY A 44 77.425 6.002 7.639 1.00 0.00 C ATOM 636 C GLY A 44 77.684 4.535 7.959 1.00 0.00 C ATOM 637 O GLY A 44 77.840 4.158 9.121 1.00 0.00 O ATOM 0 H GLY A 44 77.918 6.800 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 44 77.532 6.603 8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 44 76.400 6.130 7.291 1.00 0.00 H new ATOM 641 N GLN A 45 77.735 3.714 6.916 1.00 0.00 N ATOM 642 CA GLN A 45 77.984 2.287 7.087 1.00 0.00 C ATOM 643 C GLN A 45 79.339 2.056 7.754 1.00 0.00 C ATOM 644 O GLN A 45 79.487 1.158 8.582 1.00 0.00 O ATOM 645 CB GLN A 45 77.957 1.586 5.727 1.00 0.00 C ATOM 646 CG GLN A 45 77.208 0.257 5.850 1.00 0.00 C ATOM 647 CD GLN A 45 77.159 -0.441 4.495 1.00 0.00 C ATOM 648 OE1 GLN A 45 77.181 0.218 3.455 1.00 0.00 O ATOM 649 NE2 GLN A 45 77.095 -1.743 4.444 1.00 0.00 N ATOM 0 H GLN A 45 77.608 4.010 5.948 1.00 0.00 H new ATOM 0 HA GLN A 45 77.202 1.874 7.724 1.00 0.00 H new ATOM 0 HB2 GLN A 45 77.470 2.222 4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 45 78.974 1.411 5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 45 77.703 -0.383 6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 45 76.196 0.433 6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 45 77.077 -2.287 5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 45 77.063 -2.217 3.541 1.00 0.00 H new ATOM 658 N ILE A 46 80.323 2.874 7.390 1.00 0.00 N ATOM 659 CA ILE A 46 81.659 2.745 7.966 1.00 0.00 C ATOM 660 C ILE A 46 81.587 2.816 9.484 1.00 0.00 C ATOM 661 O ILE A 46 82.096 1.937 10.179 1.00 0.00 O ATOM 662 CB ILE A 46 82.569 3.855 7.438 1.00 0.00 C ATOM 663 CG1 ILE A 46 82.911 3.579 5.971 1.00 0.00 C ATOM 664 CG2 ILE A 46 83.857 3.896 8.263 1.00 0.00 C ATOM 665 CD1 ILE A 46 83.641 4.786 5.379 1.00 0.00 C ATOM 0 H ILE A 46 80.223 3.625 6.707 1.00 0.00 H new ATOM 0 HA ILE A 46 82.071 1.778 7.676 1.00 0.00 H new ATOM 0 HB ILE A 46 82.056 4.814 7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 46 83.536 2.689 5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 46 82.001 3.379 5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 46 84.505 4.687 7.886 1.00 0.00 H new ATOM 0 HG22 ILE A 46 83.614 4.092 9.307 1.00 0.00 H new ATOM 0 HG23 ILE A 46 84.370 2.938 8.184 1.00 0.00 H new ATOM 0 HD11 ILE A 46 83.884 4.588 4.335 1.00 0.00 H new ATOM 0 HD12 ILE A 46 83.000 5.666 5.442 1.00 0.00 H new ATOM 0 HD13 ILE A 46 84.560 4.965 5.937 1.00 0.00 H new ATOM 677 N ASN A 47 80.941 3.857 9.997 1.00 0.00 N ATOM 678 CA ASN A 47 80.801 4.010 11.438 1.00 0.00 C ATOM 679 C ASN A 47 80.039 2.823 12.008 1.00 0.00 C ATOM 680 O ASN A 47 80.250 2.420 13.149 1.00 0.00 O ATOM 681 CB ASN A 47 80.057 5.307 11.762 1.00 0.00 C ATOM 682 CG ASN A 47 78.560 5.037 11.880 1.00 0.00 C ATOM 683 OD1 ASN A 47 78.108 4.347 12.892 1.00 0.00 O flip ATOM 684 ND2 ASN A 47 77.781 5.468 11.029 1.00 0.00 N flip ATOM 0 H ASN A 47 80.511 4.598 9.444 1.00 0.00 H new ATOM 0 HA ASN A 47 81.793 4.052 11.887 1.00 0.00 H new ATOM 0 HB2 ASN A 47 80.433 5.728 12.694 1.00 0.00 H new ATOM 0 HB3 ASN A 47 80.241 6.046 10.982 1.00 0.00 H new ATOM 0 HD21 ASN A 47 78.136 6.007 10.239 1.00 0.00 H new ATOM 0 HD22 ASN A 47 76.781 5.286 11.114 1.00 0.00 H new ATOM 691 N ASP A 48 79.150 2.261 11.199 1.00 0.00 N ATOM 692 CA ASP A 48 78.364 1.117 11.629 1.00 0.00 C ATOM 693 C ASP A 48 79.226 -0.137 11.695 1.00 0.00 C ATOM 694 O ASP A 48 79.202 -0.871 12.680 1.00 0.00 O ATOM 695 CB ASP A 48 77.206 0.885 10.662 1.00 0.00 C ATOM 696 CG ASP A 48 76.459 2.192 10.417 1.00 0.00 C ATOM 697 OD1 ASP A 48 76.791 3.171 11.065 1.00 0.00 O ATOM 698 OD2 ASP A 48 75.568 2.195 9.585 1.00 0.00 O ATOM 0 H ASP A 48 78.958 2.577 10.249 1.00 0.00 H new ATOM 0 HA ASP A 48 77.973 1.328 12.624 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.583 0.490 9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 48 76.525 0.139 11.070 1.00 0.00 H new ATOM 703 N TYR A 49 79.983 -0.383 10.637 1.00 0.00 N ATOM 704 CA TYR A 49 80.841 -1.558 10.591 1.00 0.00 C ATOM 705 C TYR A 49 82.022 -1.404 11.543 1.00 0.00 C ATOM 706 O TYR A 49 82.266 -2.260 12.390 1.00 0.00 O ATOM 707 CB TYR A 49 81.359 -1.768 9.168 1.00 0.00 C ATOM 708 CG TYR A 49 81.930 -3.160 9.039 1.00 0.00 C ATOM 709 CD1 TYR A 49 83.281 -3.391 9.320 1.00 0.00 C ATOM 710 CD2 TYR A 49 81.107 -4.220 8.638 1.00 0.00 C ATOM 711 CE1 TYR A 49 83.811 -4.682 9.202 1.00 0.00 C ATOM 712 CE2 TYR A 49 81.637 -5.510 8.519 1.00 0.00 C ATOM 713 CZ TYR A 49 82.990 -5.741 8.801 1.00 0.00 C ATOM 714 OH TYR A 49 83.512 -7.013 8.684 1.00 0.00 O ATOM 0 H TYR A 49 80.022 0.208 9.806 1.00 0.00 H new ATOM 0 HA TYR A 49 80.253 -2.423 10.899 1.00 0.00 H new ATOM 0 HB2 TYR A 49 80.550 -1.628 8.451 1.00 0.00 H new ATOM 0 HB3 TYR A 49 82.124 -1.027 8.935 1.00 0.00 H new ATOM 0 HD1 TYR A 49 83.916 -2.573 9.628 1.00 0.00 H new ATOM 0 HD2 TYR A 49 80.064 -4.042 8.421 1.00 0.00 H new ATOM 0 HE1 TYR A 49 84.854 -4.860 9.421 1.00 0.00 H new ATOM 0 HE2 TYR A 49 81.003 -6.328 8.210 1.00 0.00 H new ATOM 0 HH TYR A 49 82.807 -7.631 8.397 1.00 0.00 H new ATOM 724 N ILE A 50 82.763 -0.316 11.386 1.00 0.00 N ATOM 725 CA ILE A 50 83.930 -0.071 12.227 1.00 0.00 C ATOM 726 C ILE A 50 83.547 0.367 13.640 1.00 0.00 C ATOM 727 O ILE A 50 84.269 0.078 14.594 1.00 0.00 O ATOM 728 CB ILE A 50 84.816 0.997 11.586 1.00 0.00 C ATOM 729 CG1 ILE A 50 85.772 0.331 10.594 1.00 0.00 C ATOM 730 CG2 ILE A 50 85.626 1.710 12.670 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.356 1.389 9.658 1.00 0.00 C ATOM 0 H ILE A 50 82.580 0.407 10.690 1.00 0.00 H new ATOM 0 HA ILE A 50 84.472 -1.013 12.309 1.00 0.00 H new ATOM 0 HB ILE A 50 84.192 1.723 11.065 1.00 0.00 H new ATOM 0 HG12 ILE A 50 86.573 -0.177 11.130 1.00 0.00 H new ATOM 0 HG13 ILE A 50 85.243 -0.428 10.017 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.257 2.471 12.211 1.00 0.00 H new ATOM 0 HG22 ILE A 50 84.947 2.182 13.380 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.252 0.986 13.192 1.00 0.00 H new ATOM 0 HD11 ILE A 50 87.037 0.914 8.952 1.00 0.00 H new ATOM 0 HD12 ILE A 50 85.549 1.877 9.112 1.00 0.00 H new ATOM 0 HD13 ILE A 50 86.899 2.132 10.242 1.00 0.00 H new ATOM 743 N SER A 51 82.436 1.089 13.774 1.00 0.00 N ATOM 744 CA SER A 51 82.024 1.577 15.094 1.00 0.00 C ATOM 745 C SER A 51 80.755 0.888 15.611 1.00 0.00 C ATOM 746 O SER A 51 79.916 1.522 16.250 1.00 0.00 O ATOM 747 CB SER A 51 81.809 3.093 15.036 1.00 0.00 C ATOM 748 OG SER A 51 82.590 3.717 16.047 1.00 0.00 O ATOM 0 H SER A 51 81.816 1.346 13.006 1.00 0.00 H new ATOM 0 HA SER A 51 82.824 1.335 15.794 1.00 0.00 H new ATOM 0 HB2 SER A 51 82.091 3.475 14.055 1.00 0.00 H new ATOM 0 HB3 SER A 51 80.754 3.328 15.178 1.00 0.00 H new ATOM 0 HG SER A 51 82.288 4.641 16.170 1.00 0.00 H new ATOM 754 N ARG A 52 80.624 -0.413 15.363 1.00 0.00 N ATOM 755 CA ARG A 52 79.453 -1.142 15.851 1.00 0.00 C ATOM 756 C ARG A 52 79.544 -2.628 15.497 1.00 0.00 C ATOM 757 O ARG A 52 79.200 -3.484 16.311 1.00 0.00 O ATOM 758 CB ARG A 52 78.169 -0.501 15.292 1.00 0.00 C ATOM 759 CG ARG A 52 77.220 -1.554 14.694 1.00 0.00 C ATOM 760 CD ARG A 52 76.768 -2.548 15.771 1.00 0.00 C ATOM 761 NE ARG A 52 77.356 -2.215 17.065 1.00 0.00 N ATOM 762 CZ ARG A 52 77.371 -3.099 18.058 1.00 0.00 C ATOM 763 NH1 ARG A 52 76.860 -4.287 17.882 1.00 0.00 N ATOM 764 NH2 ARG A 52 77.896 -2.779 19.209 1.00 0.00 N ATOM 0 H ARG A 52 81.296 -0.975 14.840 1.00 0.00 H new ATOM 0 HA ARG A 52 79.422 -1.076 16.939 1.00 0.00 H new ATOM 0 HB2 ARG A 52 77.657 0.040 16.087 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.431 0.229 14.526 1.00 0.00 H new ATOM 0 HG2 ARG A 52 76.351 -1.062 14.258 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.722 -2.087 13.887 1.00 0.00 H new ATOM 0 HD2 ARG A 52 75.681 -2.538 15.848 1.00 0.00 H new ATOM 0 HD3 ARG A 52 77.058 -3.559 15.484 1.00 0.00 H new ATOM 0 HE ARG A 52 77.761 -1.290 17.210 1.00 0.00 H new ATOM 0 HH11 ARG A 52 76.449 -4.537 16.983 1.00 0.00 H new ATOM 0 HH12 ARG A 52 76.872 -4.965 18.644 1.00 0.00 H new ATOM 0 HH21 ARG A 52 78.295 -1.850 19.347 1.00 0.00 H new ATOM 0 HH22 ARG A 52 77.907 -3.457 19.971 1.00 0.00 H new ATOM 778 N TYR A 53 80.016 -2.934 14.291 1.00 0.00 N ATOM 779 CA TYR A 53 80.144 -4.330 13.876 1.00 0.00 C ATOM 780 C TYR A 53 81.427 -4.547 13.081 1.00 0.00 C ATOM 781 O TYR A 53 81.404 -4.607 11.852 1.00 0.00 O ATOM 782 CB TYR A 53 78.939 -4.746 13.025 1.00 0.00 C ATOM 783 CG TYR A 53 78.753 -6.242 13.124 1.00 0.00 C ATOM 784 CD1 TYR A 53 79.648 -7.103 12.478 1.00 0.00 C ATOM 785 CD2 TYR A 53 77.688 -6.767 13.865 1.00 0.00 C ATOM 786 CE1 TYR A 53 79.479 -8.489 12.575 1.00 0.00 C ATOM 787 CE2 TYR A 53 77.519 -8.153 13.961 1.00 0.00 C ATOM 788 CZ TYR A 53 78.414 -9.014 13.316 1.00 0.00 C ATOM 789 OH TYR A 53 78.247 -10.381 13.411 1.00 0.00 O ATOM 0 H TYR A 53 80.311 -2.249 13.595 1.00 0.00 H new ATOM 0 HA TYR A 53 80.181 -4.944 14.776 1.00 0.00 H new ATOM 0 HB2 TYR A 53 78.041 -4.232 13.369 1.00 0.00 H new ATOM 0 HB3 TYR A 53 79.095 -4.455 11.986 1.00 0.00 H new ATOM 0 HD1 TYR A 53 80.469 -6.698 11.905 1.00 0.00 H new ATOM 0 HD2 TYR A 53 76.997 -6.103 14.363 1.00 0.00 H new ATOM 0 HE1 TYR A 53 80.170 -9.153 12.078 1.00 0.00 H new ATOM 0 HE2 TYR A 53 76.698 -8.558 14.533 1.00 0.00 H new ATOM 0 HH TYR A 53 77.783 -10.710 12.613 1.00 0.00 H new ATOM 799 N ARG A 54 82.545 -4.665 13.790 1.00 0.00 N ATOM 800 CA ARG A 54 83.832 -4.879 13.137 1.00 0.00 C ATOM 801 C ARG A 54 84.242 -6.346 13.230 1.00 0.00 C ATOM 802 O ARG A 54 85.004 -6.840 12.399 1.00 0.00 O ATOM 803 CB ARG A 54 84.906 -4.001 13.789 1.00 0.00 C ATOM 804 CG ARG A 54 85.460 -4.699 15.035 1.00 0.00 C ATOM 805 CD ARG A 54 86.266 -3.697 15.862 1.00 0.00 C ATOM 806 NE ARG A 54 87.147 -2.921 14.998 1.00 0.00 N ATOM 807 CZ ARG A 54 88.170 -3.492 14.368 1.00 0.00 C ATOM 808 NH1 ARG A 54 88.402 -4.766 14.523 1.00 0.00 N ATOM 809 NH2 ARG A 54 88.941 -2.777 13.595 1.00 0.00 N ATOM 0 H ARG A 54 82.587 -4.617 14.808 1.00 0.00 H new ATOM 0 HA ARG A 54 83.734 -4.607 12.086 1.00 0.00 H new ATOM 0 HB2 ARG A 54 85.711 -3.809 13.080 1.00 0.00 H new ATOM 0 HB3 ARG A 54 84.483 -3.034 14.060 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.643 -5.106 15.631 1.00 0.00 H new ATOM 0 HG3 ARG A 54 86.091 -5.539 14.745 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.590 -3.030 16.397 1.00 0.00 H new ATOM 0 HD3 ARG A 54 86.854 -4.225 16.613 1.00 0.00 H new ATOM 0 HE ARG A 54 86.976 -1.923 14.874 1.00 0.00 H new ATOM 0 HH11 ARG A 54 87.799 -5.324 15.127 1.00 0.00 H new ATOM 0 HH12 ARG A 54 89.186 -5.204 14.040 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.759 -1.781 13.474 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.726 -3.215 13.112 1.00 0.00 H new ATOM 823 N ARG A 55 83.732 -7.035 14.246 1.00 0.00 N ATOM 824 CA ARG A 55 84.054 -8.445 14.438 1.00 0.00 C ATOM 825 C ARG A 55 83.309 -9.311 13.427 1.00 0.00 C ATOM 826 O ARG A 55 82.082 -9.412 13.465 1.00 0.00 O ATOM 827 CB ARG A 55 83.679 -8.878 15.857 1.00 0.00 C ATOM 828 CG ARG A 55 84.632 -8.224 16.860 1.00 0.00 C ATOM 829 CD ARG A 55 84.171 -8.542 18.284 1.00 0.00 C ATOM 830 NE ARG A 55 83.835 -7.312 18.993 1.00 0.00 N ATOM 831 CZ ARG A 55 82.625 -6.770 18.893 1.00 0.00 C ATOM 832 NH1 ARG A 55 81.717 -7.336 18.147 1.00 0.00 N ATOM 833 NH2 ARG A 55 82.347 -5.673 19.541 1.00 0.00 N ATOM 0 H ARG A 55 83.099 -6.644 14.944 1.00 0.00 H new ATOM 0 HA ARG A 55 85.126 -8.575 14.289 1.00 0.00 H new ATOM 0 HB2 ARG A 55 82.651 -8.591 16.076 1.00 0.00 H new ATOM 0 HB3 ARG A 55 83.732 -9.963 15.943 1.00 0.00 H new ATOM 0 HG2 ARG A 55 85.647 -8.590 16.705 1.00 0.00 H new ATOM 0 HG3 ARG A 55 84.655 -7.145 16.706 1.00 0.00 H new ATOM 0 HD2 ARG A 55 83.304 -9.201 18.254 1.00 0.00 H new ATOM 0 HD3 ARG A 55 84.958 -9.075 18.818 1.00 0.00 H new ATOM 0 HE ARG A 55 84.540 -6.860 19.575 1.00 0.00 H new ATOM 0 HH11 ARG A 55 81.935 -8.194 17.641 1.00 0.00 H new ATOM 0 HH12 ARG A 55 80.789 -6.921 18.070 1.00 0.00 H new ATOM 0 HH21 ARG A 55 83.058 -5.231 20.124 1.00 0.00 H new ATOM 0 HH22 ARG A 55 81.419 -5.257 19.465 1.00 0.00 H new ATOM 847 N LYS A 56 84.058 -9.934 12.523 1.00 0.00 N ATOM 848 CA LYS A 56 83.458 -10.790 11.504 1.00 0.00 C ATOM 849 C LYS A 56 84.053 -12.194 11.567 1.00 0.00 C ATOM 850 O LYS A 56 83.717 -12.982 12.450 1.00 0.00 O ATOM 851 CB LYS A 56 83.696 -10.194 10.115 1.00 0.00 C ATOM 852 CG LYS A 56 85.072 -9.526 10.077 1.00 0.00 C ATOM 853 CD LYS A 56 85.584 -9.488 8.635 1.00 0.00 C ATOM 854 CE LYS A 56 86.620 -8.372 8.493 1.00 0.00 C ATOM 855 NZ LYS A 56 87.392 -8.245 9.761 1.00 0.00 N ATOM 0 H LYS A 56 85.074 -9.864 12.474 1.00 0.00 H new ATOM 0 HA LYS A 56 82.386 -10.853 11.693 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.638 -10.975 9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.919 -9.466 9.882 1.00 0.00 H new ATOM 0 HG2 LYS A 56 85.008 -8.514 10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 56 85.771 -10.075 10.708 1.00 0.00 H new ATOM 0 HD2 LYS A 56 86.028 -10.447 8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 56 84.755 -9.319 7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 56 87.294 -8.591 7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 56 86.125 -7.429 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 88.281 -7.737 9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 86.830 -7.717 10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 87.605 -9.192 10.134 1.00 0.00 H new ATOM 869 N GLY A 57 84.939 -12.498 10.624 1.00 0.00 N ATOM 870 CA GLY A 57 85.576 -13.809 10.582 1.00 0.00 C ATOM 871 C GLY A 57 87.062 -13.683 10.268 1.00 0.00 C ATOM 872 O GLY A 57 87.567 -14.321 9.344 1.00 0.00 O ATOM 0 H GLY A 57 85.230 -11.860 9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.444 -14.312 11.540 1.00 0.00 H new ATOM 0 HA3 GLY A 57 85.092 -14.429 9.827 1.00 0.00 H new ATOM 876 N ASP A 58 87.757 -12.856 11.041 1.00 0.00 N ATOM 877 CA ASP A 58 89.186 -12.655 10.835 1.00 0.00 C ATOM 878 C ASP A 58 89.967 -13.888 11.275 1.00 0.00 C ATOM 879 O ASP A 58 90.312 -14.030 12.449 1.00 0.00 O ATOM 880 CB ASP A 58 89.663 -11.436 11.626 1.00 0.00 C ATOM 881 CG ASP A 58 89.140 -11.505 13.055 1.00 0.00 C ATOM 882 OD1 ASP A 58 88.507 -12.493 13.387 1.00 0.00 O ATOM 883 OD2 ASP A 58 89.379 -10.567 13.798 1.00 0.00 O ATOM 0 H ASP A 58 87.358 -12.318 11.810 1.00 0.00 H new ATOM 0 HA ASP A 58 89.361 -12.487 9.772 1.00 0.00 H new ATOM 0 HB2 ASP A 58 90.752 -11.398 11.630 1.00 0.00 H new ATOM 0 HB3 ASP A 58 89.314 -10.522 11.146 1.00 0.00 H new ATOM 888 N ALA A 59 90.242 -14.778 10.327 1.00 0.00 N ATOM 889 CA ALA A 59 90.984 -15.996 10.628 1.00 0.00 C ATOM 890 C ALA A 59 92.259 -15.669 11.396 1.00 0.00 C ATOM 891 O ALA A 59 92.876 -16.547 12.001 1.00 0.00 O ATOM 892 CB ALA A 59 91.338 -16.725 9.332 1.00 0.00 C ATOM 0 H ALA A 59 89.964 -14.680 9.350 1.00 0.00 H new ATOM 0 HA ALA A 59 90.357 -16.639 11.245 1.00 0.00 H new ATOM 0 HB1 ALA A 59 91.892 -17.634 9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 59 90.423 -16.985 8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 59 91.951 -16.077 8.706 1.00 0.00 H new ATOM 898 N GLY A 60 92.650 -14.398 11.371 1.00 0.00 N ATOM 899 CA GLY A 60 93.853 -13.963 12.070 1.00 0.00 C ATOM 900 C GLY A 60 94.959 -13.600 11.085 1.00 0.00 C ATOM 901 O GLY A 60 96.119 -13.448 11.468 1.00 0.00 O ATOM 0 H GLY A 60 92.154 -13.656 10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 60 93.622 -13.101 12.696 1.00 0.00 H new ATOM 0 HA3 GLY A 60 94.198 -14.756 12.734 1.00 0.00 H new ATOM 905 N GLY A 61 94.595 -13.459 9.813 1.00 0.00 N ATOM 906 CA GLY A 61 95.569 -13.112 8.785 1.00 0.00 C ATOM 907 C GLY A 61 94.952 -13.199 7.393 1.00 0.00 C ATOM 908 O GLY A 61 95.312 -14.067 6.598 1.00 0.00 O ATOM 0 H GLY A 61 93.641 -13.579 9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 61 95.942 -12.103 8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 61 96.425 -13.783 8.849 1.00 0.00 H new ATOM 912 N LEU A 62 94.021 -12.295 7.105 1.00 0.00 N ATOM 913 CA LEU A 62 93.361 -12.280 5.805 1.00 0.00 C ATOM 914 C LEU A 62 94.267 -11.650 4.750 1.00 0.00 C ATOM 915 O LEU A 62 95.434 -11.356 5.008 1.00 0.00 O ATOM 916 CB LEU A 62 92.061 -11.475 5.888 1.00 0.00 C ATOM 917 CG LEU A 62 90.853 -12.414 5.907 1.00 0.00 C ATOM 918 CD1 LEU A 62 90.774 -13.196 4.594 1.00 0.00 C ATOM 919 CD2 LEU A 62 90.984 -13.392 7.075 1.00 0.00 C ATOM 0 H LEU A 62 93.708 -11.568 7.749 1.00 0.00 H new ATOM 0 HA LEU A 62 93.142 -13.310 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 62 92.064 -10.858 6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 62 91.990 -10.798 5.037 1.00 0.00 H new ATOM 0 HG LEU A 62 89.945 -11.822 6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 62 89.911 -13.861 4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 62 90.673 -12.500 3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 62 91.682 -13.785 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 62 90.123 -14.061 7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 62 91.896 -13.977 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 62 91.026 -12.836 8.012 1.00 0.00 H new ATOM 931 N LYS A 63 93.706 -11.433 3.567 1.00 0.00 N ATOM 932 CA LYS A 63 94.444 -10.823 2.472 1.00 0.00 C ATOM 933 C LYS A 63 93.574 -9.768 1.801 1.00 0.00 C ATOM 934 O LYS A 63 94.041 -8.682 1.460 1.00 0.00 O ATOM 935 CB LYS A 63 94.846 -11.887 1.449 1.00 0.00 C ATOM 936 CG LYS A 63 95.830 -11.282 0.444 1.00 0.00 C ATOM 937 CD LYS A 63 96.407 -12.393 -0.436 1.00 0.00 C ATOM 938 CE LYS A 63 96.762 -11.823 -1.809 1.00 0.00 C ATOM 939 NZ LYS A 63 97.668 -10.652 -1.643 1.00 0.00 N ATOM 0 H LYS A 63 92.740 -11.672 3.343 1.00 0.00 H new ATOM 0 HA LYS A 63 95.346 -10.356 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.303 -12.738 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 63 93.963 -12.260 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.325 -10.539 -0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 63 96.633 -10.766 0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 63 97.294 -12.819 0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 63 95.683 -13.201 -0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 63 97.246 -12.587 -2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 63 95.856 -11.523 -2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 98.173 -10.475 -2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 97.108 -9.813 -1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 98.356 -10.850 -0.888 1.00 0.00 H new ATOM 953 N SER A 64 92.298 -10.099 1.630 1.00 0.00 N ATOM 954 CA SER A 64 91.351 -9.180 1.014 1.00 0.00 C ATOM 955 C SER A 64 90.904 -8.126 2.023 1.00 0.00 C ATOM 956 O SER A 64 90.878 -6.933 1.718 1.00 0.00 O ATOM 957 CB SER A 64 90.134 -9.953 0.504 1.00 0.00 C ATOM 958 OG SER A 64 89.866 -9.574 -0.839 1.00 0.00 O ATOM 0 H SER A 64 91.898 -10.995 1.909 1.00 0.00 H new ATOM 0 HA SER A 64 91.840 -8.683 0.176 1.00 0.00 H new ATOM 0 HB2 SER A 64 90.320 -11.026 0.561 1.00 0.00 H new ATOM 0 HB3 SER A 64 89.268 -9.746 1.132 1.00 0.00 H new ATOM 0 HG SER A 64 89.653 -10.371 -1.368 1.00 0.00 H new ATOM 964 N PHE A 65 90.553 -8.576 3.226 1.00 0.00 N ATOM 965 CA PHE A 65 90.110 -7.663 4.273 1.00 0.00 C ATOM 966 C PHE A 65 91.190 -6.629 4.580 1.00 0.00 C ATOM 967 O PHE A 65 90.889 -5.469 4.857 1.00 0.00 O ATOM 968 CB PHE A 65 89.776 -8.444 5.544 1.00 0.00 C ATOM 969 CG PHE A 65 89.814 -7.513 6.732 1.00 0.00 C ATOM 970 CD1 PHE A 65 88.991 -6.380 6.759 1.00 0.00 C ATOM 971 CD2 PHE A 65 90.672 -7.781 7.806 1.00 0.00 C ATOM 972 CE1 PHE A 65 89.026 -5.517 7.860 1.00 0.00 C ATOM 973 CE2 PHE A 65 90.707 -6.917 8.906 1.00 0.00 C ATOM 974 CZ PHE A 65 89.884 -5.785 8.934 1.00 0.00 C ATOM 0 H PHE A 65 90.567 -9.559 3.497 1.00 0.00 H new ATOM 0 HA PHE A 65 89.218 -7.146 3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.789 -8.898 5.456 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.489 -9.256 5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 65 88.330 -6.173 5.931 1.00 0.00 H new ATOM 0 HD2 PHE A 65 91.307 -8.655 7.785 1.00 0.00 H new ATOM 0 HE1 PHE A 65 88.391 -4.644 7.882 1.00 0.00 H new ATOM 0 HE2 PHE A 65 91.369 -7.124 9.734 1.00 0.00 H new ATOM 0 HZ PHE A 65 89.911 -5.119 9.783 1.00 0.00 H new ATOM 984 N THR A 66 92.446 -7.059 4.536 1.00 0.00 N ATOM 985 CA THR A 66 93.559 -6.159 4.818 1.00 0.00 C ATOM 986 C THR A 66 93.456 -4.900 3.966 1.00 0.00 C ATOM 987 O THR A 66 93.660 -3.790 4.457 1.00 0.00 O ATOM 988 CB THR A 66 94.889 -6.861 4.538 1.00 0.00 C ATOM 989 OG1 THR A 66 94.835 -8.191 5.037 1.00 0.00 O ATOM 990 CG2 THR A 66 96.022 -6.100 5.227 1.00 0.00 C ATOM 0 H THR A 66 92.718 -8.016 4.310 1.00 0.00 H new ATOM 0 HA THR A 66 93.515 -5.878 5.870 1.00 0.00 H new ATOM 0 HB THR A 66 95.071 -6.884 3.463 1.00 0.00 H new ATOM 0 HG1 THR A 66 95.686 -8.643 4.857 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.970 -6.600 5.028 1.00 0.00 H new ATOM 0 HG22 THR A 66 96.062 -5.081 4.843 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.843 -6.076 6.302 1.00 0.00 H new ATOM 998 N THR A 67 93.126 -5.074 2.691 1.00 0.00 N ATOM 999 CA THR A 67 92.988 -3.941 1.793 1.00 0.00 C ATOM 1000 C THR A 67 91.795 -3.092 2.210 1.00 0.00 C ATOM 1001 O THR A 67 91.836 -1.865 2.144 1.00 0.00 O ATOM 1002 CB THR A 67 92.792 -4.428 0.361 1.00 0.00 C ATOM 1003 OG1 THR A 67 92.912 -5.843 0.321 1.00 0.00 O ATOM 1004 CG2 THR A 67 93.849 -3.796 -0.546 1.00 0.00 C ATOM 0 H THR A 67 92.951 -5.982 2.262 1.00 0.00 H new ATOM 0 HA THR A 67 93.895 -3.339 1.845 1.00 0.00 H new ATOM 0 HB THR A 67 91.800 -4.139 0.013 1.00 0.00 H new ATOM 0 HG1 THR A 67 92.065 -6.251 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 67 93.707 -4.145 -1.569 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.752 -2.711 -0.517 1.00 0.00 H new ATOM 0 HG23 THR A 67 94.843 -4.081 -0.200 1.00 0.00 H new ATOM 1012 N MET A 68 90.731 -3.761 2.646 1.00 0.00 N ATOM 1013 CA MET A 68 89.528 -3.064 3.077 1.00 0.00 C ATOM 1014 C MET A 68 89.898 -1.969 4.070 1.00 0.00 C ATOM 1015 O MET A 68 89.376 -0.856 4.006 1.00 0.00 O ATOM 1016 CB MET A 68 88.563 -4.056 3.738 1.00 0.00 C ATOM 1017 CG MET A 68 87.118 -3.566 3.595 1.00 0.00 C ATOM 1018 SD MET A 68 86.227 -3.866 5.141 1.00 0.00 S ATOM 1019 CE MET A 68 84.932 -4.927 4.453 1.00 0.00 C ATOM 0 H MET A 68 90.679 -4.778 2.709 1.00 0.00 H new ATOM 0 HA MET A 68 89.043 -2.615 2.210 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.669 -5.038 3.278 1.00 0.00 H new ATOM 0 HB3 MET A 68 88.813 -4.170 4.793 1.00 0.00 H new ATOM 0 HG2 MET A 68 87.105 -2.503 3.355 1.00 0.00 H new ATOM 0 HG3 MET A 68 86.626 -4.085 2.772 1.00 0.00 H new ATOM 0 HE1 MET A 68 84.285 -5.279 5.257 1.00 0.00 H new ATOM 0 HE2 MET A 68 84.341 -4.360 3.734 1.00 0.00 H new ATOM 0 HE3 MET A 68 85.389 -5.782 3.954 1.00 0.00 H new ATOM 1029 N GLN A 69 90.813 -2.292 4.979 1.00 0.00 N ATOM 1030 CA GLN A 69 91.261 -1.325 5.975 1.00 0.00 C ATOM 1031 C GLN A 69 92.282 -0.372 5.364 1.00 0.00 C ATOM 1032 O GLN A 69 92.513 0.720 5.882 1.00 0.00 O ATOM 1033 CB GLN A 69 91.886 -2.053 7.166 1.00 0.00 C ATOM 1034 CG GLN A 69 91.126 -1.689 8.444 1.00 0.00 C ATOM 1035 CD GLN A 69 91.812 -2.313 9.655 1.00 0.00 C ATOM 1036 OE1 GLN A 69 91.293 -3.263 10.241 1.00 0.00 O ATOM 1037 NE2 GLN A 69 92.953 -1.832 10.068 1.00 0.00 N ATOM 0 H GLN A 69 91.256 -3.208 5.047 1.00 0.00 H new ATOM 0 HA GLN A 69 90.399 -0.751 6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 69 91.853 -3.131 7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 69 92.936 -1.777 7.264 1.00 0.00 H new ATOM 0 HG2 GLN A 69 91.086 -0.606 8.557 1.00 0.00 H new ATOM 0 HG3 GLN A 69 90.097 -2.041 8.377 1.00 0.00 H new ATOM 0 HE21 GLN A 69 93.381 -1.045 9.581 1.00 0.00 H new ATOM 0 HE22 GLN A 69 93.417 -2.243 10.878 1.00 0.00 H new ATOM 1046 N THR A 70 92.890 -0.793 4.258 1.00 0.00 N ATOM 1047 CA THR A 70 93.884 0.032 3.584 1.00 0.00 C ATOM 1048 C THR A 70 93.202 1.105 2.743 1.00 0.00 C ATOM 1049 O THR A 70 93.546 2.284 2.831 1.00 0.00 O ATOM 1050 CB THR A 70 94.767 -0.838 2.689 1.00 0.00 C ATOM 1051 OG1 THR A 70 95.089 -2.041 3.373 1.00 0.00 O ATOM 1052 CG2 THR A 70 96.054 -0.083 2.348 1.00 0.00 C ATOM 0 H THR A 70 92.713 -1.694 3.814 1.00 0.00 H new ATOM 0 HA THR A 70 94.503 0.515 4.340 1.00 0.00 H new ATOM 0 HB THR A 70 94.233 -1.073 1.769 1.00 0.00 H new ATOM 0 HG1 THR A 70 94.269 -2.550 3.543 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.682 -0.705 1.710 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.806 0.840 1.824 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.591 0.154 3.266 1.00 0.00 H new ATOM 1060 N ALA A 71 92.230 0.694 1.933 1.00 0.00 N ATOM 1061 CA ALA A 71 91.509 1.642 1.090 1.00 0.00 C ATOM 1062 C ALA A 71 90.605 2.529 1.939 1.00 0.00 C ATOM 1063 O ALA A 71 90.402 3.700 1.625 1.00 0.00 O ATOM 1064 CB ALA A 71 90.670 0.901 0.048 1.00 0.00 C ATOM 0 H ALA A 71 91.927 -0.276 1.843 1.00 0.00 H new ATOM 0 HA ALA A 71 92.241 2.267 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 71 90.139 1.623 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 71 91.322 0.294 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.950 0.257 0.552 1.00 0.00 H new ATOM 1070 N LEU A 72 90.064 1.968 3.014 1.00 0.00 N ATOM 1071 CA LEU A 72 89.187 2.732 3.892 1.00 0.00 C ATOM 1072 C LEU A 72 89.888 4.003 4.361 1.00 0.00 C ATOM 1073 O LEU A 72 89.337 5.099 4.266 1.00 0.00 O ATOM 1074 CB LEU A 72 88.791 1.891 5.107 1.00 0.00 C ATOM 1075 CG LEU A 72 87.388 1.322 4.897 1.00 0.00 C ATOM 1076 CD1 LEU A 72 87.116 0.235 5.938 1.00 0.00 C ATOM 1077 CD2 LEU A 72 86.357 2.442 5.053 1.00 0.00 C ATOM 0 H LEU A 72 90.214 0.999 3.296 1.00 0.00 H new ATOM 0 HA LEU A 72 88.290 3.001 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 72 89.506 1.081 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 72 88.816 2.502 6.009 1.00 0.00 H new ATOM 0 HG LEU A 72 87.316 0.894 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 72 86.115 -0.170 5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.851 -0.563 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.188 0.663 6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 72 85.356 2.038 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 72 86.431 2.868 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 72 86.549 3.219 4.313 1.00 0.00 H new ATOM 1089 N ASN A 73 91.106 3.843 4.866 1.00 0.00 N ATOM 1090 CA ASN A 73 91.876 4.984 5.348 1.00 0.00 C ATOM 1091 C ASN A 73 92.410 5.814 4.183 1.00 0.00 C ATOM 1092 O ASN A 73 92.427 7.044 4.242 1.00 0.00 O ATOM 1093 CB ASN A 73 93.044 4.500 6.211 1.00 0.00 C ATOM 1094 CG ASN A 73 92.516 3.845 7.483 1.00 0.00 C ATOM 1095 OD1 ASN A 73 91.634 2.988 7.421 1.00 0.00 O ATOM 1096 ND2 ASN A 73 93.006 4.198 8.640 1.00 0.00 N ATOM 0 H ASN A 73 91.578 2.943 4.952 1.00 0.00 H new ATOM 0 HA ASN A 73 91.215 5.611 5.947 1.00 0.00 H new ATOM 0 HB2 ASN A 73 93.651 3.789 5.651 1.00 0.00 H new ATOM 0 HB3 ASN A 73 93.691 5.339 6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 73 92.658 3.764 9.495 1.00 0.00 H new ATOM 0 HD22 ASN A 73 93.737 4.908 8.689 1.00 0.00 H new ATOM 1103 N SER A 74 92.847 5.136 3.126 1.00 0.00 N ATOM 1104 CA SER A 74 93.382 5.828 1.957 1.00 0.00 C ATOM 1105 C SER A 74 92.272 6.551 1.202 1.00 0.00 C ATOM 1106 O SER A 74 92.330 7.766 1.008 1.00 0.00 O ATOM 1107 CB SER A 74 94.065 4.825 1.026 1.00 0.00 C ATOM 1108 OG SER A 74 94.949 5.519 0.156 1.00 0.00 O ATOM 0 H SER A 74 92.842 4.119 3.054 1.00 0.00 H new ATOM 0 HA SER A 74 94.110 6.564 2.298 1.00 0.00 H new ATOM 0 HB2 SER A 74 94.615 4.086 1.609 1.00 0.00 H new ATOM 0 HB3 SER A 74 93.318 4.282 0.447 1.00 0.00 H new ATOM 0 HG SER A 74 95.016 5.037 -0.695 1.00 0.00 H new ATOM 1114 N LEU A 75 91.263 5.798 0.776 1.00 0.00 N ATOM 1115 CA LEU A 75 90.146 6.382 0.043 1.00 0.00 C ATOM 1116 C LEU A 75 89.513 7.511 0.849 1.00 0.00 C ATOM 1117 O LEU A 75 88.906 8.423 0.289 1.00 0.00 O ATOM 1118 CB LEU A 75 89.096 5.306 -0.262 1.00 0.00 C ATOM 1119 CG LEU A 75 88.148 5.140 0.934 1.00 0.00 C ATOM 1120 CD1 LEU A 75 87.039 6.202 0.902 1.00 0.00 C ATOM 1121 CD2 LEU A 75 87.510 3.749 0.878 1.00 0.00 C ATOM 0 H LEU A 75 91.196 4.791 0.924 1.00 0.00 H new ATOM 0 HA LEU A 75 90.522 6.790 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.528 5.582 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.588 4.358 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 75 88.721 5.260 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.379 6.065 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.485 7.196 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 75 86.464 6.100 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.835 3.624 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.950 3.643 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 75 88.290 2.989 0.920 1.00 0.00 H new ATOM 1133 N ALA A 76 89.660 7.442 2.168 1.00 0.00 N ATOM 1134 CA ALA A 76 89.100 8.463 3.044 1.00 0.00 C ATOM 1135 C ALA A 76 89.802 9.799 2.821 1.00 0.00 C ATOM 1136 O ALA A 76 89.187 10.860 2.934 1.00 0.00 O ATOM 1137 CB ALA A 76 89.258 8.039 4.505 1.00 0.00 C ATOM 0 H ALA A 76 90.159 6.695 2.651 1.00 0.00 H new ATOM 0 HA ALA A 76 88.041 8.577 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 76 88.837 8.807 5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.734 7.098 4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 76 90.316 7.910 4.734 1.00 0.00 H new ATOM 1143 N GLY A 77 91.090 9.737 2.502 1.00 0.00 N ATOM 1144 CA GLY A 77 91.865 10.948 2.263 1.00 0.00 C ATOM 1145 C GLY A 77 91.384 11.656 1.001 1.00 0.00 C ATOM 1146 O GLY A 77 91.344 12.885 0.944 1.00 0.00 O ATOM 0 H GLY A 77 91.616 8.868 2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 77 91.775 11.618 3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 77 92.921 10.696 2.165 1.00 0.00 H new ATOM 1150 N TYR A 78 91.017 10.871 -0.007 1.00 0.00 N ATOM 1151 CA TYR A 78 90.537 11.432 -1.263 1.00 0.00 C ATOM 1152 C TYR A 78 89.396 12.413 -1.010 1.00 0.00 C ATOM 1153 O TYR A 78 89.367 13.505 -1.576 1.00 0.00 O ATOM 1154 CB TYR A 78 90.055 10.310 -2.184 1.00 0.00 C ATOM 1155 CG TYR A 78 89.132 10.879 -3.234 1.00 0.00 C ATOM 1156 CD1 TYR A 78 89.657 11.351 -4.445 1.00 0.00 C ATOM 1157 CD2 TYR A 78 87.753 10.933 -3.000 1.00 0.00 C ATOM 1158 CE1 TYR A 78 88.800 11.877 -5.420 1.00 0.00 C ATOM 1159 CE2 TYR A 78 86.898 11.458 -3.976 1.00 0.00 C ATOM 1160 CZ TYR A 78 87.421 11.931 -5.185 1.00 0.00 C ATOM 1161 OH TYR A 78 86.578 12.448 -6.147 1.00 0.00 O ATOM 0 H TYR A 78 91.043 9.852 0.021 1.00 0.00 H new ATOM 0 HA TYR A 78 91.359 11.965 -1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 78 90.907 9.824 -2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 78 89.536 9.547 -1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 78 90.721 11.309 -4.626 1.00 0.00 H new ATOM 0 HD2 TYR A 78 87.349 10.570 -2.067 1.00 0.00 H new ATOM 0 HE1 TYR A 78 89.203 12.241 -6.353 1.00 0.00 H new ATOM 0 HE2 TYR A 78 85.834 11.498 -3.796 1.00 0.00 H new ATOM 0 HH TYR A 78 87.043 13.151 -6.646 1.00 0.00 H new ATOM 1171 N TYR A 79 88.460 12.014 -0.155 1.00 0.00 N ATOM 1172 CA TYR A 79 87.321 12.866 0.169 1.00 0.00 C ATOM 1173 C TYR A 79 87.751 14.000 1.093 1.00 0.00 C ATOM 1174 O TYR A 79 86.997 14.945 1.326 1.00 0.00 O ATOM 1175 CB TYR A 79 86.225 12.040 0.846 1.00 0.00 C ATOM 1176 CG TYR A 79 85.141 12.960 1.356 1.00 0.00 C ATOM 1177 CD1 TYR A 79 84.077 13.319 0.521 1.00 0.00 C ATOM 1178 CD2 TYR A 79 85.200 13.453 2.666 1.00 0.00 C ATOM 1179 CE1 TYR A 79 83.071 14.171 0.994 1.00 0.00 C ATOM 1180 CE2 TYR A 79 84.194 14.305 3.139 1.00 0.00 C ATOM 1181 CZ TYR A 79 83.130 14.663 2.303 1.00 0.00 C ATOM 1182 OH TYR A 79 82.138 15.502 2.770 1.00 0.00 O ATOM 0 H TYR A 79 88.467 11.113 0.323 1.00 0.00 H new ATOM 0 HA TYR A 79 86.933 13.292 -0.756 1.00 0.00 H new ATOM 0 HB2 TYR A 79 85.806 11.324 0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 79 86.646 11.465 1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 79 84.032 12.939 -0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 79 86.021 13.176 3.311 1.00 0.00 H new ATOM 0 HE1 TYR A 79 82.250 14.448 0.349 1.00 0.00 H new ATOM 0 HE2 TYR A 79 84.239 14.686 4.149 1.00 0.00 H new ATOM 0 HH TYR A 79 82.330 15.751 3.698 1.00 0.00 H new ATOM 1192 N THR A 80 88.969 13.899 1.616 1.00 0.00 N ATOM 1193 CA THR A 80 89.492 14.921 2.514 1.00 0.00 C ATOM 1194 C THR A 80 90.881 15.363 2.066 1.00 0.00 C ATOM 1195 O THR A 80 91.785 15.526 2.885 1.00 0.00 O ATOM 1196 CB THR A 80 89.564 14.377 3.942 1.00 0.00 C ATOM 1197 OG1 THR A 80 88.352 13.702 4.250 1.00 0.00 O ATOM 1198 CG2 THR A 80 89.769 15.533 4.922 1.00 0.00 C ATOM 0 H THR A 80 89.608 13.125 1.435 1.00 0.00 H new ATOM 0 HA THR A 80 88.821 15.780 2.488 1.00 0.00 H new ATOM 0 HB THR A 80 90.400 13.682 4.025 1.00 0.00 H new ATOM 0 HG1 THR A 80 88.404 12.776 3.935 1.00 0.00 H new ATOM 0 HG21 THR A 80 89.820 15.143 5.939 1.00 0.00 H new ATOM 0 HG22 THR A 80 90.698 16.051 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 80 88.935 16.230 4.842 1.00 0.00 H new ATOM 1206 N SER A 81 91.045 15.556 0.760 1.00 0.00 N ATOM 1207 CA SER A 81 92.331 15.978 0.217 1.00 0.00 C ATOM 1208 C SER A 81 92.165 16.534 -1.194 1.00 0.00 C ATOM 1209 O SER A 81 92.840 17.489 -1.577 1.00 0.00 O ATOM 1210 CB SER A 81 93.298 14.795 0.191 1.00 0.00 C ATOM 1211 OG SER A 81 93.527 14.346 1.521 1.00 0.00 O ATOM 0 H SER A 81 90.310 15.428 0.064 1.00 0.00 H new ATOM 0 HA SER A 81 92.733 16.763 0.857 1.00 0.00 H new ATOM 0 HB2 SER A 81 92.885 13.986 -0.412 1.00 0.00 H new ATOM 0 HB3 SER A 81 94.239 15.090 -0.273 1.00 0.00 H new ATOM 0 HG SER A 81 93.178 15.008 2.154 1.00 0.00 H new ATOM 1217 N TYR A 82 91.267 15.929 -1.965 1.00 0.00 N ATOM 1218 CA TYR A 82 91.028 16.374 -3.333 1.00 0.00 C ATOM 1219 C TYR A 82 89.532 16.479 -3.613 1.00 0.00 C ATOM 1220 O TYR A 82 88.858 17.378 -3.107 1.00 0.00 O ATOM 1221 CB TYR A 82 91.672 15.397 -4.319 1.00 0.00 C ATOM 1222 CG TYR A 82 93.176 15.465 -4.187 1.00 0.00 C ATOM 1223 CD1 TYR A 82 93.856 16.641 -4.523 1.00 0.00 C ATOM 1224 CD2 TYR A 82 93.888 14.351 -3.728 1.00 0.00 C ATOM 1225 CE1 TYR A 82 95.249 16.704 -4.400 1.00 0.00 C ATOM 1226 CE2 TYR A 82 95.282 14.413 -3.606 1.00 0.00 C ATOM 1227 CZ TYR A 82 95.962 15.589 -3.941 1.00 0.00 C ATOM 1228 OH TYR A 82 97.336 15.650 -3.820 1.00 0.00 O ATOM 0 H TYR A 82 90.697 15.136 -1.669 1.00 0.00 H new ATOM 0 HA TYR A 82 91.474 17.361 -3.457 1.00 0.00 H new ATOM 0 HB2 TYR A 82 91.325 14.383 -4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 82 91.374 15.643 -5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 82 93.306 17.500 -4.877 1.00 0.00 H new ATOM 0 HD2 TYR A 82 93.363 13.444 -3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 82 95.774 17.612 -4.659 1.00 0.00 H new ATOM 0 HE2 TYR A 82 95.832 13.553 -3.253 1.00 0.00 H new ATOM 0 HH TYR A 82 97.674 14.792 -3.488 1.00 0.00 H new ATOM 1238 N GLY A 83 89.016 15.561 -4.425 1.00 0.00 N ATOM 1239 CA GLY A 83 87.598 15.565 -4.766 1.00 0.00 C ATOM 1240 C GLY A 83 87.406 15.479 -6.276 1.00 0.00 C ATOM 1241 O GLY A 83 87.550 14.411 -6.871 1.00 0.00 O ATOM 0 H GLY A 83 89.555 14.810 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 83 87.100 14.724 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 83 87.130 16.473 -4.386 1.00 0.00 H new ATOM 1245 N ALA A 84 87.087 16.612 -6.893 1.00 0.00 N ATOM 1246 CA ALA A 84 86.883 16.651 -8.337 1.00 0.00 C ATOM 1247 C ALA A 84 88.217 16.820 -9.058 1.00 0.00 C ATOM 1248 O ALA A 84 88.351 17.658 -9.949 1.00 0.00 O ATOM 1249 CB ALA A 84 85.953 17.809 -8.703 1.00 0.00 C ATOM 0 H ALA A 84 86.965 17.508 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 84 86.429 15.710 -8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 84 85.806 17.831 -9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 84 84.991 17.673 -8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 84 86.398 18.750 -8.379 1.00 0.00 H new ATOM 1255 N ARG A 85 89.200 16.018 -8.664 1.00 0.00 N ATOM 1256 CA ARG A 85 90.523 16.086 -9.275 1.00 0.00 C ATOM 1257 C ARG A 85 91.051 14.680 -9.557 1.00 0.00 C ATOM 1258 O ARG A 85 90.578 13.704 -8.975 1.00 0.00 O ATOM 1259 CB ARG A 85 91.485 16.827 -8.340 1.00 0.00 C ATOM 1260 CG ARG A 85 91.663 18.273 -8.816 1.00 0.00 C ATOM 1261 CD ARG A 85 92.760 18.953 -7.996 1.00 0.00 C ATOM 1262 NE ARG A 85 93.925 19.211 -8.835 1.00 0.00 N ATOM 1263 CZ ARG A 85 94.719 20.256 -8.613 1.00 0.00 C ATOM 1264 NH1 ARG A 85 94.474 21.066 -7.619 1.00 0.00 N ATOM 1265 NH2 ARG A 85 95.747 20.468 -9.387 1.00 0.00 N ATOM 0 H ARG A 85 89.107 15.317 -7.929 1.00 0.00 H new ATOM 0 HA ARG A 85 90.449 16.626 -10.219 1.00 0.00 H new ATOM 0 HB2 ARG A 85 91.097 16.815 -7.321 1.00 0.00 H new ATOM 0 HB3 ARG A 85 92.450 16.320 -8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 85 91.924 18.288 -9.874 1.00 0.00 H new ATOM 0 HG3 ARG A 85 90.725 18.819 -8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 85 92.387 19.889 -7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 85 93.041 18.320 -7.154 1.00 0.00 H new ATOM 0 HE ARG A 85 94.135 18.578 -9.607 1.00 0.00 H new ATOM 0 HH11 ARG A 85 93.673 20.899 -7.010 1.00 0.00 H new ATOM 0 HH12 ARG A 85 95.084 21.866 -7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 85 95.942 19.833 -10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 85 96.356 21.268 -9.218 1.00 0.00 H new ATOM 1279 N PRO A 86 92.016 14.558 -10.435 1.00 0.00 N ATOM 1280 CA PRO A 86 92.614 13.244 -10.797 1.00 0.00 C ATOM 1281 C PRO A 86 92.787 12.331 -9.584 1.00 0.00 C ATOM 1282 O PRO A 86 92.732 12.784 -8.441 1.00 0.00 O ATOM 1283 CB PRO A 86 93.965 13.626 -11.395 1.00 0.00 C ATOM 1284 CG PRO A 86 93.767 14.987 -11.981 1.00 0.00 C ATOM 1285 CD PRO A 86 92.644 15.662 -11.184 1.00 0.00 C ATOM 0 HA PRO A 86 91.982 12.677 -11.480 1.00 0.00 H new ATOM 0 HB2 PRO A 86 94.744 13.636 -10.633 1.00 0.00 H new ATOM 0 HB3 PRO A 86 94.274 12.911 -12.157 1.00 0.00 H new ATOM 0 HG2 PRO A 86 94.686 15.570 -11.921 1.00 0.00 H new ATOM 0 HG3 PRO A 86 93.502 14.917 -13.036 1.00 0.00 H new ATOM 0 HD2 PRO A 86 93.036 16.426 -10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 86 91.928 16.154 -11.843 1.00 0.00 H new ATOM 1293 N ILE A 87 92.987 11.042 -9.847 1.00 0.00 N ATOM 1294 CA ILE A 87 93.159 10.066 -8.776 1.00 0.00 C ATOM 1295 C ILE A 87 94.614 9.594 -8.698 1.00 0.00 C ATOM 1296 O ILE A 87 95.015 8.700 -9.444 1.00 0.00 O ATOM 1297 CB ILE A 87 92.260 8.856 -9.035 1.00 0.00 C ATOM 1298 CG1 ILE A 87 90.834 9.327 -9.328 1.00 0.00 C ATOM 1299 CG2 ILE A 87 92.253 7.950 -7.803 1.00 0.00 C ATOM 1300 CD1 ILE A 87 89.997 8.140 -9.808 1.00 0.00 C ATOM 0 H ILE A 87 93.034 10.651 -10.788 1.00 0.00 H new ATOM 0 HA ILE A 87 92.889 10.542 -7.833 1.00 0.00 H new ATOM 0 HB ILE A 87 92.642 8.302 -9.892 1.00 0.00 H new ATOM 0 HG12 ILE A 87 90.391 9.760 -8.431 1.00 0.00 H new ATOM 0 HG13 ILE A 87 90.846 10.109 -10.087 1.00 0.00 H new ATOM 0 HG21 ILE A 87 91.612 7.088 -7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 87 93.268 7.610 -7.596 1.00 0.00 H new ATOM 0 HG23 ILE A 87 91.874 8.505 -6.945 1.00 0.00 H new ATOM 0 HD11 ILE A 87 88.980 8.473 -10.018 1.00 0.00 H new ATOM 0 HD12 ILE A 87 90.438 7.727 -10.715 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.975 7.373 -9.034 1.00 0.00 H new ATOM 1312 N PRO A 88 95.410 10.161 -7.821 1.00 0.00 N ATOM 1313 CA PRO A 88 96.839 9.762 -7.673 1.00 0.00 C ATOM 1314 C PRO A 88 97.006 8.245 -7.613 1.00 0.00 C ATOM 1315 O PRO A 88 96.149 7.536 -7.087 1.00 0.00 O ATOM 1316 CB PRO A 88 97.265 10.414 -6.359 1.00 0.00 C ATOM 1317 CG PRO A 88 96.366 11.595 -6.197 1.00 0.00 C ATOM 1318 CD PRO A 88 95.046 11.236 -6.880 1.00 0.00 C ATOM 0 HA PRO A 88 97.444 10.079 -8.522 1.00 0.00 H new ATOM 0 HB2 PRO A 88 97.160 9.722 -5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.311 10.717 -6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 88 96.208 11.820 -5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.807 12.483 -6.649 1.00 0.00 H new ATOM 0 HD2 PRO A 88 94.302 10.899 -6.158 1.00 0.00 H new ATOM 0 HD3 PRO A 88 94.620 12.094 -7.400 1.00 0.00 H new ATOM 1326 N GLU A 89 98.113 7.758 -8.162 1.00 0.00 N ATOM 1327 CA GLU A 89 98.386 6.327 -8.175 1.00 0.00 C ATOM 1328 C GLU A 89 98.112 5.705 -6.809 1.00 0.00 C ATOM 1329 O GLU A 89 97.733 4.545 -6.716 1.00 0.00 O ATOM 1330 CB GLU A 89 99.843 6.079 -8.567 1.00 0.00 C ATOM 1331 CG GLU A 89 99.974 6.117 -10.091 1.00 0.00 C ATOM 1332 CD GLU A 89 101.429 6.353 -10.484 1.00 0.00 C ATOM 1333 OE1 GLU A 89 102.228 6.599 -9.595 1.00 0.00 O ATOM 1334 OE2 GLU A 89 101.721 6.284 -11.665 1.00 0.00 O ATOM 0 H GLU A 89 98.833 8.331 -8.602 1.00 0.00 H new ATOM 0 HA GLU A 89 97.725 5.862 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 89 100.486 6.836 -8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 89 100.174 5.113 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 89 99.621 5.178 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 89 99.346 6.909 -10.499 1.00 0.00 H new ATOM 1341 N LYS A 90 98.301 6.477 -5.752 1.00 0.00 N ATOM 1342 CA LYS A 90 98.064 5.974 -4.408 1.00 0.00 C ATOM 1343 C LYS A 90 96.610 5.564 -4.255 1.00 0.00 C ATOM 1344 O LYS A 90 96.316 4.452 -3.834 1.00 0.00 O ATOM 1345 CB LYS A 90 98.404 7.044 -3.373 1.00 0.00 C ATOM 1346 CG LYS A 90 99.904 7.340 -3.418 1.00 0.00 C ATOM 1347 CD LYS A 90 100.301 8.157 -2.187 1.00 0.00 C ATOM 1348 CE LYS A 90 101.372 9.178 -2.574 1.00 0.00 C ATOM 1349 NZ LYS A 90 101.974 9.756 -1.339 1.00 0.00 N ATOM 0 H LYS A 90 98.615 7.446 -5.796 1.00 0.00 H new ATOM 0 HA LYS A 90 98.703 5.106 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 90 97.837 7.953 -3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 90 98.119 6.705 -2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 90 100.469 6.408 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 90 100.150 7.889 -4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 90 99.428 8.667 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 90 100.678 7.497 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 90 102.143 8.701 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 90 100.933 9.969 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 102.703 10.451 -1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 101.234 10.225 -0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 102.406 8.996 -0.775 1.00 0.00 H new ATOM 1363 N LEU A 91 95.705 6.464 -4.621 1.00 0.00 N ATOM 1364 CA LEU A 91 94.285 6.186 -4.540 1.00 0.00 C ATOM 1365 C LEU A 91 93.916 5.225 -5.649 1.00 0.00 C ATOM 1366 O LEU A 91 93.253 4.222 -5.427 1.00 0.00 O ATOM 1367 CB LEU A 91 93.486 7.484 -4.691 1.00 0.00 C ATOM 1368 CG LEU A 91 93.610 8.329 -3.420 1.00 0.00 C ATOM 1369 CD1 LEU A 91 92.969 7.592 -2.242 1.00 0.00 C ATOM 1370 CD2 LEU A 91 95.087 8.588 -3.112 1.00 0.00 C ATOM 0 H LEU A 91 95.934 7.392 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 91 94.051 5.745 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.852 8.048 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.438 7.255 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 91 93.099 9.279 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 91 93.060 8.198 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 91 91.915 7.414 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.475 6.638 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 91 95.170 9.190 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 91 95.600 7.638 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.544 9.121 -3.945 1.00 0.00 H new ATOM 1382 N LYS A 92 94.371 5.540 -6.849 1.00 0.00 N ATOM 1383 CA LYS A 92 94.105 4.695 -7.988 1.00 0.00 C ATOM 1384 C LYS A 92 94.635 3.295 -7.721 1.00 0.00 C ATOM 1385 O LYS A 92 93.886 2.337 -7.763 1.00 0.00 O ATOM 1386 CB LYS A 92 94.766 5.272 -9.242 1.00 0.00 C ATOM 1387 CG LYS A 92 93.722 5.406 -10.352 1.00 0.00 C ATOM 1388 CD LYS A 92 94.368 6.032 -11.589 1.00 0.00 C ATOM 1389 CE LYS A 92 93.278 6.567 -12.519 1.00 0.00 C ATOM 1390 NZ LYS A 92 93.906 7.354 -13.619 1.00 0.00 N ATOM 0 H LYS A 92 94.924 6.372 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 92 93.028 4.648 -8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 92 95.204 6.245 -9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 92 95.579 4.624 -9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 92 93.311 4.427 -10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 92 92.891 6.023 -10.011 1.00 0.00 H new ATOM 0 HD2 LYS A 92 95.037 6.840 -11.293 1.00 0.00 H new ATOM 0 HD3 LYS A 92 94.974 5.291 -12.110 1.00 0.00 H new ATOM 0 HE2 LYS A 92 92.700 5.741 -12.933 1.00 0.00 H new ATOM 0 HE3 LYS A 92 92.583 7.194 -11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 93.165 7.718 -14.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 94.439 8.151 -13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 94.552 6.743 -14.158 1.00 0.00 H new ATOM 1404 N LYS A 93 95.931 3.187 -7.432 1.00 0.00 N ATOM 1405 CA LYS A 93 96.533 1.884 -7.155 1.00 0.00 C ATOM 1406 C LYS A 93 95.871 1.220 -5.962 1.00 0.00 C ATOM 1407 O LYS A 93 95.586 0.028 -5.988 1.00 0.00 O ATOM 1408 CB LYS A 93 98.037 2.018 -6.897 1.00 0.00 C ATOM 1409 CG LYS A 93 98.681 0.631 -6.913 1.00 0.00 C ATOM 1410 CD LYS A 93 100.194 0.769 -6.732 1.00 0.00 C ATOM 1411 CE LYS A 93 100.826 -0.620 -6.643 1.00 0.00 C ATOM 1412 NZ LYS A 93 100.012 -1.587 -7.433 1.00 0.00 N ATOM 0 H LYS A 93 96.577 3.975 -7.384 1.00 0.00 H new ATOM 0 HA LYS A 93 96.379 1.261 -8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 93 98.493 2.651 -7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 93 98.211 2.501 -5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 93 98.263 0.015 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 93 98.461 0.127 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 93 100.622 1.322 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 93 100.412 1.338 -5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 93 101.847 -0.592 -7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 93 100.882 -0.940 -5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 100.540 -2.476 -7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 99.118 -1.775 -6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 99.810 -1.186 -8.371 1.00 0.00 H new ATOM 1426 N ARG A 94 95.620 1.993 -4.924 1.00 0.00 N ATOM 1427 CA ARG A 94 94.973 1.439 -3.736 1.00 0.00 C ATOM 1428 C ARG A 94 93.550 1.027 -4.076 1.00 0.00 C ATOM 1429 O ARG A 94 93.153 -0.111 -3.848 1.00 0.00 O ATOM 1430 CB ARG A 94 94.946 2.454 -2.591 1.00 0.00 C ATOM 1431 CG ARG A 94 96.363 2.660 -2.054 1.00 0.00 C ATOM 1432 CD ARG A 94 96.636 1.662 -0.929 1.00 0.00 C ATOM 1433 NE ARG A 94 98.060 1.624 -0.622 1.00 0.00 N ATOM 1434 CZ ARG A 94 98.935 1.111 -1.482 1.00 0.00 C ATOM 1435 NH1 ARG A 94 98.521 0.627 -2.620 1.00 0.00 N ATOM 1436 NH2 ARG A 94 100.206 1.092 -1.187 1.00 0.00 N ATOM 0 H ARG A 94 95.846 2.986 -4.871 1.00 0.00 H new ATOM 0 HA ARG A 94 95.548 0.572 -3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 94 94.538 3.402 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 94 94.292 2.101 -1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 94 97.089 2.527 -2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 94 96.478 3.679 -1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 94 96.073 1.943 -0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 94 96.294 0.670 -1.223 1.00 0.00 H new ATOM 0 HE ARG A 94 98.391 1.997 0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 94 97.527 0.642 -2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 94 99.191 0.233 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 94 100.529 1.471 -0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 94 100.877 0.698 -1.847 1.00 0.00 H new ATOM 1450 N LEU A 95 92.791 1.964 -4.632 1.00 0.00 N ATOM 1451 CA LEU A 95 91.412 1.689 -5.011 1.00 0.00 C ATOM 1452 C LEU A 95 91.369 0.676 -6.140 1.00 0.00 C ATOM 1453 O LEU A 95 90.474 -0.153 -6.194 1.00 0.00 O ATOM 1454 CB LEU A 95 90.718 2.978 -5.435 1.00 0.00 C ATOM 1455 CG LEU A 95 90.689 3.914 -4.231 1.00 0.00 C ATOM 1456 CD1 LEU A 95 90.227 5.310 -4.655 1.00 0.00 C ATOM 1457 CD2 LEU A 95 89.729 3.366 -3.169 1.00 0.00 C ATOM 0 H LEU A 95 93.105 2.914 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 95 90.888 1.274 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 95 91.250 3.442 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.705 2.770 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 95 91.695 3.979 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 95 90.211 5.968 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.915 5.710 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 95 89.226 5.248 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 95 89.713 4.039 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.726 3.290 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 95 90.065 2.379 -2.850 1.00 0.00 H new ATOM 1469 N GLN A 96 92.358 0.741 -7.023 1.00 0.00 N ATOM 1470 CA GLN A 96 92.433 -0.205 -8.142 1.00 0.00 C ATOM 1471 C GLN A 96 92.867 -1.559 -7.617 1.00 0.00 C ATOM 1472 O GLN A 96 92.223 -2.574 -7.871 1.00 0.00 O ATOM 1473 CB GLN A 96 93.421 0.250 -9.224 1.00 0.00 C ATOM 1474 CG GLN A 96 92.891 1.510 -9.914 1.00 0.00 C ATOM 1475 CD GLN A 96 92.306 1.152 -11.275 1.00 0.00 C ATOM 1476 OE1 GLN A 96 92.766 1.652 -12.301 1.00 0.00 O ATOM 1477 NE2 GLN A 96 91.311 0.311 -11.346 1.00 0.00 N ATOM 0 H GLN A 96 93.112 1.427 -6.992 1.00 0.00 H new ATOM 0 HA GLN A 96 91.444 -0.259 -8.596 1.00 0.00 H new ATOM 0 HB2 GLN A 96 94.395 0.451 -8.778 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.563 -0.544 -9.957 1.00 0.00 H new ATOM 0 HG2 GLN A 96 92.128 1.981 -9.294 1.00 0.00 H new ATOM 0 HG3 GLN A 96 93.696 2.235 -10.034 1.00 0.00 H new ATOM 0 HE21 GLN A 96 90.931 -0.102 -10.495 1.00 0.00 H new ATOM 0 HE22 GLN A 96 90.913 0.067 -12.253 1.00 0.00 H new ATOM 1486 N LEU A 97 93.951 -1.553 -6.860 1.00 0.00 N ATOM 1487 CA LEU A 97 94.460 -2.777 -6.268 1.00 0.00 C ATOM 1488 C LEU A 97 93.423 -3.302 -5.292 1.00 0.00 C ATOM 1489 O LEU A 97 93.197 -4.505 -5.198 1.00 0.00 O ATOM 1490 CB LEU A 97 95.782 -2.518 -5.539 1.00 0.00 C ATOM 1491 CG LEU A 97 96.368 -3.842 -5.045 1.00 0.00 C ATOM 1492 CD1 LEU A 97 97.189 -4.488 -6.163 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.274 -3.576 -3.840 1.00 0.00 C ATOM 0 H LEU A 97 94.493 -0.717 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 97 94.648 -3.511 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.487 -2.025 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.618 -1.845 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 97 95.559 -4.512 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 97 97.606 -5.431 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 97 96.547 -4.675 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 97 97.999 -3.819 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 97 97.693 -4.517 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 97 98.082 -2.906 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 97 96.692 -3.115 -3.042 1.00 0.00 H new ATOM 1505 N GLU A 98 92.774 -2.381 -4.585 1.00 0.00 N ATOM 1506 CA GLU A 98 91.734 -2.760 -3.644 1.00 0.00 C ATOM 1507 C GLU A 98 90.490 -3.171 -4.415 1.00 0.00 C ATOM 1508 O GLU A 98 89.875 -4.182 -4.109 1.00 0.00 O ATOM 1509 CB GLU A 98 91.397 -1.608 -2.697 1.00 0.00 C ATOM 1510 CG GLU A 98 90.304 -2.057 -1.725 1.00 0.00 C ATOM 1511 CD GLU A 98 88.985 -1.375 -2.072 1.00 0.00 C ATOM 1512 OE1 GLU A 98 89.001 -0.174 -2.287 1.00 0.00 O ATOM 1513 OE2 GLU A 98 87.979 -2.063 -2.117 1.00 0.00 O ATOM 0 H GLU A 98 92.950 -1.378 -4.647 1.00 0.00 H new ATOM 0 HA GLU A 98 92.096 -3.594 -3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 98 92.287 -1.302 -2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 98 91.061 -0.741 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 98 90.186 -3.140 -1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 98 90.592 -1.812 -0.703 1.00 0.00 H new ATOM 1520 N PHE A 99 90.140 -2.387 -5.437 1.00 0.00 N ATOM 1521 CA PHE A 99 88.972 -2.702 -6.260 1.00 0.00 C ATOM 1522 C PHE A 99 89.191 -4.027 -6.926 1.00 0.00 C ATOM 1523 O PHE A 99 88.291 -4.848 -7.009 1.00 0.00 O ATOM 1524 CB PHE A 99 88.760 -1.648 -7.343 1.00 0.00 C ATOM 1525 CG PHE A 99 87.761 -2.126 -8.377 1.00 0.00 C ATOM 1526 CD1 PHE A 99 88.130 -3.081 -9.338 1.00 0.00 C ATOM 1527 CD2 PHE A 99 86.464 -1.602 -8.381 1.00 0.00 C ATOM 1528 CE1 PHE A 99 87.200 -3.510 -10.292 1.00 0.00 C ATOM 1529 CE2 PHE A 99 85.535 -2.032 -9.335 1.00 0.00 C ATOM 1530 CZ PHE A 99 85.903 -2.987 -10.289 1.00 0.00 C ATOM 0 H PHE A 99 90.641 -1.542 -5.711 1.00 0.00 H new ATOM 0 HA PHE A 99 88.094 -2.726 -5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 99 88.405 -0.722 -6.890 1.00 0.00 H new ATOM 0 HB3 PHE A 99 89.710 -1.422 -7.827 1.00 0.00 H new ATOM 0 HD1 PHE A 99 89.132 -3.485 -9.341 1.00 0.00 H new ATOM 0 HD2 PHE A 99 86.179 -0.864 -7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 99 87.484 -4.245 -11.031 1.00 0.00 H new ATOM 0 HE2 PHE A 99 84.534 -1.627 -9.335 1.00 0.00 H new ATOM 0 HZ PHE A 99 85.185 -3.320 -11.024 1.00 0.00 H new ATOM 1540 N THR A 100 90.406 -4.235 -7.400 1.00 0.00 N ATOM 1541 CA THR A 100 90.721 -5.483 -8.045 1.00 0.00 C ATOM 1542 C THR A 100 90.896 -6.550 -6.981 1.00 0.00 C ATOM 1543 O THR A 100 90.297 -7.617 -7.052 1.00 0.00 O ATOM 1544 CB THR A 100 91.992 -5.354 -8.873 1.00 0.00 C ATOM 1545 OG1 THR A 100 93.003 -4.730 -8.097 1.00 0.00 O ATOM 1546 CG2 THR A 100 91.711 -4.521 -10.125 1.00 0.00 C ATOM 0 H THR A 100 91.174 -3.566 -7.349 1.00 0.00 H new ATOM 0 HA THR A 100 89.909 -5.759 -8.717 1.00 0.00 H new ATOM 0 HB THR A 100 92.330 -6.346 -9.173 1.00 0.00 H new ATOM 0 HG1 THR A 100 92.986 -3.763 -8.254 1.00 0.00 H new ATOM 0 HG21 THR A 100 92.623 -4.431 -10.715 1.00 0.00 H new ATOM 0 HG22 THR A 100 90.940 -5.009 -10.721 1.00 0.00 H new ATOM 0 HG23 THR A 100 91.369 -3.528 -9.832 1.00 0.00 H new ATOM 1554 N GLN A 101 91.691 -6.246 -5.965 1.00 0.00 N ATOM 1555 CA GLN A 101 91.880 -7.208 -4.889 1.00 0.00 C ATOM 1556 C GLN A 101 90.530 -7.495 -4.244 1.00 0.00 C ATOM 1557 O GLN A 101 90.293 -8.583 -3.728 1.00 0.00 O ATOM 1558 CB GLN A 101 92.864 -6.686 -3.840 1.00 0.00 C ATOM 1559 CG GLN A 101 93.014 -7.727 -2.728 1.00 0.00 C ATOM 1560 CD GLN A 101 94.233 -7.405 -1.870 1.00 0.00 C ATOM 1561 OE1 GLN A 101 94.775 -6.219 -1.938 1.00 0.00 O flip ATOM 1562 NE2 GLN A 101 94.705 -8.256 -1.116 1.00 0.00 N flip ATOM 0 H GLN A 101 92.201 -5.369 -5.863 1.00 0.00 H new ATOM 0 HA GLN A 101 92.300 -8.124 -5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 101 93.832 -6.486 -4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 101 92.506 -5.743 -3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 101 92.117 -7.741 -2.109 1.00 0.00 H new ATOM 0 HG3 GLN A 101 93.117 -8.722 -3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 101 94.281 -9.182 -1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 101 95.520 -8.035 -0.544 1.00 0.00 H new ATOM 1571 N ALA A 102 89.641 -6.508 -4.304 1.00 0.00 N ATOM 1572 CA ALA A 102 88.300 -6.663 -3.752 1.00 0.00 C ATOM 1573 C ALA A 102 87.384 -7.301 -4.781 1.00 0.00 C ATOM 1574 O ALA A 102 86.775 -8.335 -4.536 1.00 0.00 O ATOM 1575 CB ALA A 102 87.726 -5.309 -3.342 1.00 0.00 C ATOM 0 H ALA A 102 89.824 -5.598 -4.727 1.00 0.00 H new ATOM 0 HA ALA A 102 88.367 -7.303 -2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 102 86.725 -5.447 -2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 102 88.368 -4.856 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.675 -4.657 -4.214 1.00 0.00 H new ATOM 1581 N GLU A 103 87.298 -6.661 -5.933 1.00 0.00 N ATOM 1582 CA GLU A 103 86.453 -7.142 -7.017 1.00 0.00 C ATOM 1583 C GLU A 103 87.062 -8.360 -7.696 1.00 0.00 C ATOM 1584 O GLU A 103 86.402 -9.387 -7.860 1.00 0.00 O ATOM 1585 CB GLU A 103 86.274 -6.034 -8.053 1.00 0.00 C ATOM 1586 CG GLU A 103 85.089 -6.364 -8.965 1.00 0.00 C ATOM 1587 CD GLU A 103 85.450 -7.518 -9.894 1.00 0.00 C ATOM 1588 OE1 GLU A 103 86.629 -7.703 -10.145 1.00 0.00 O ATOM 1589 OE2 GLU A 103 84.541 -8.199 -10.340 1.00 0.00 O ATOM 0 H GLU A 103 87.805 -5.802 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 103 85.490 -7.427 -6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 103 86.106 -5.080 -7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 103 87.182 -5.927 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 103 84.220 -6.629 -8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.815 -5.487 -9.551 1.00 0.00 H new ATOM 1596 N ARG A 104 88.319 -8.237 -8.107 1.00 0.00 N ATOM 1597 CA ARG A 104 88.990 -9.344 -8.789 1.00 0.00 C ATOM 1598 C ARG A 104 89.031 -10.595 -7.912 1.00 0.00 C ATOM 1599 O ARG A 104 88.931 -11.712 -8.417 1.00 0.00 O ATOM 1600 CB ARG A 104 90.415 -8.949 -9.192 1.00 0.00 C ATOM 1601 CG ARG A 104 90.798 -9.653 -10.496 1.00 0.00 C ATOM 1602 CD ARG A 104 90.295 -8.840 -11.692 1.00 0.00 C ATOM 1603 NE ARG A 104 90.456 -9.610 -12.923 1.00 0.00 N ATOM 1604 CZ ARG A 104 89.544 -9.577 -13.892 1.00 0.00 C ATOM 1605 NH1 ARG A 104 88.475 -8.835 -13.772 1.00 0.00 N ATOM 1606 NH2 ARG A 104 89.721 -10.287 -14.973 1.00 0.00 N ATOM 0 H ARG A 104 88.888 -7.399 -7.984 1.00 0.00 H new ATOM 0 HA ARG A 104 88.415 -9.570 -9.687 1.00 0.00 H new ATOM 0 HB2 ARG A 104 90.481 -7.868 -9.318 1.00 0.00 H new ATOM 0 HB3 ARG A 104 91.115 -9.221 -8.402 1.00 0.00 H new ATOM 0 HG2 ARG A 104 91.880 -9.769 -10.553 1.00 0.00 H new ATOM 0 HG3 ARG A 104 90.368 -10.655 -10.519 1.00 0.00 H new ATOM 0 HD2 ARG A 104 89.246 -8.580 -11.550 1.00 0.00 H new ATOM 0 HD3 ARG A 104 90.848 -7.904 -11.764 1.00 0.00 H new ATOM 0 HE ARG A 104 91.288 -10.187 -13.043 1.00 0.00 H new ATOM 0 HH11 ARG A 104 88.334 -8.275 -12.931 1.00 0.00 H new ATOM 0 HH12 ARG A 104 87.781 -8.816 -14.519 1.00 0.00 H new ATOM 0 HH21 ARG A 104 90.556 -10.864 -15.073 1.00 0.00 H new ATOM 0 HH22 ARG A 104 89.024 -10.264 -15.718 1.00 0.00 H new ATOM 1620 N SER A 105 89.185 -10.411 -6.604 1.00 0.00 N ATOM 1621 CA SER A 105 89.241 -11.556 -5.697 1.00 0.00 C ATOM 1622 C SER A 105 87.841 -12.010 -5.291 1.00 0.00 C ATOM 1623 O SER A 105 87.523 -13.196 -5.377 1.00 0.00 O ATOM 1624 CB SER A 105 90.046 -11.209 -4.447 1.00 0.00 C ATOM 1625 OG SER A 105 89.194 -10.580 -3.498 1.00 0.00 O ATOM 0 H SER A 105 89.272 -9.500 -6.154 1.00 0.00 H new ATOM 0 HA SER A 105 89.731 -12.372 -6.228 1.00 0.00 H new ATOM 0 HB2 SER A 105 90.482 -12.112 -4.019 1.00 0.00 H new ATOM 0 HB3 SER A 105 90.873 -10.547 -4.705 1.00 0.00 H new ATOM 0 HG SER A 105 89.517 -9.672 -3.320 1.00 0.00 H new ATOM 1631 N ILE A 106 87.009 -11.074 -4.841 1.00 0.00 N ATOM 1632 CA ILE A 106 85.652 -11.432 -4.424 1.00 0.00 C ATOM 1633 C ILE A 106 84.851 -11.964 -5.608 1.00 0.00 C ATOM 1634 O ILE A 106 84.282 -13.053 -5.543 1.00 0.00 O ATOM 1635 CB ILE A 106 84.931 -10.227 -3.818 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.749 -9.682 -2.643 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.553 -10.661 -3.317 1.00 0.00 C ATOM 1638 CD1 ILE A 106 85.323 -10.389 -1.354 1.00 0.00 C ATOM 0 H ILE A 106 87.240 -10.084 -4.756 1.00 0.00 H new ATOM 0 HA ILE A 106 85.731 -12.211 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 106 84.818 -9.451 -4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.813 -9.839 -2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 106 85.597 -8.607 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 106 83.037 -9.804 -2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 106 82.970 -11.053 -4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 106 83.669 -11.435 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 106 85.905 -10.002 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 106 84.263 -10.209 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 106 85.497 -11.460 -1.452 1.00 0.00 H new ATOM 1650 N GLU A 107 84.815 -11.193 -6.689 1.00 0.00 N ATOM 1651 CA GLU A 107 84.083 -11.606 -7.881 1.00 0.00 C ATOM 1652 C GLU A 107 84.744 -12.828 -8.507 1.00 0.00 C ATOM 1653 O GLU A 107 84.219 -13.416 -9.454 1.00 0.00 O ATOM 1654 CB GLU A 107 84.048 -10.464 -8.896 1.00 0.00 C ATOM 1655 CG GLU A 107 82.771 -10.565 -9.735 1.00 0.00 C ATOM 1656 CD GLU A 107 81.602 -9.942 -8.980 1.00 0.00 C ATOM 1657 OE1 GLU A 107 81.508 -10.163 -7.784 1.00 0.00 O ATOM 1658 OE2 GLU A 107 80.815 -9.254 -9.610 1.00 0.00 O ATOM 0 H GLU A 107 85.279 -10.288 -6.765 1.00 0.00 H new ATOM 0 HA GLU A 107 83.063 -11.861 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 107 84.082 -9.504 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 107 84.925 -10.510 -9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 107 82.911 -10.056 -10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 107 82.555 -11.610 -9.959 1.00 0.00 H new ATOM 1665 N ARG A 108 85.900 -13.205 -7.971 1.00 0.00 N ATOM 1666 CA ARG A 108 86.631 -14.358 -8.480 1.00 0.00 C ATOM 1667 C ARG A 108 86.985 -14.164 -9.951 1.00 0.00 C ATOM 1668 O ARG A 108 86.928 -15.104 -10.744 1.00 0.00 O ATOM 1669 CB ARG A 108 85.787 -15.624 -8.312 1.00 0.00 C ATOM 1670 CG ARG A 108 86.665 -16.753 -7.770 1.00 0.00 C ATOM 1671 CD ARG A 108 85.914 -18.082 -7.877 1.00 0.00 C ATOM 1672 NE ARG A 108 86.630 -19.125 -7.150 1.00 0.00 N ATOM 1673 CZ ARG A 108 87.799 -19.584 -7.581 1.00 0.00 C ATOM 1674 NH1 ARG A 108 88.323 -19.106 -8.677 1.00 0.00 N ATOM 1675 NH2 ARG A 108 88.424 -20.513 -6.912 1.00 0.00 N ATOM 0 H ARG A 108 86.349 -12.731 -7.187 1.00 0.00 H new ATOM 0 HA ARG A 108 87.555 -14.461 -7.911 1.00 0.00 H new ATOM 0 HB2 ARG A 108 84.958 -15.434 -7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.352 -15.914 -9.269 1.00 0.00 H new ATOM 0 HG2 ARG A 108 87.598 -16.804 -8.332 1.00 0.00 H new ATOM 0 HG3 ARG A 108 86.929 -16.555 -6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 108 84.907 -17.973 -7.473 1.00 0.00 H new ATOM 0 HD3 ARG A 108 85.809 -18.365 -8.924 1.00 0.00 H new ATOM 0 HE ARG A 108 86.225 -19.508 -6.296 1.00 0.00 H new ATOM 0 HH11 ARG A 108 87.834 -18.380 -9.202 1.00 0.00 H new ATOM 0 HH12 ARG A 108 89.221 -19.458 -9.009 1.00 0.00 H new ATOM 0 HH21 ARG A 108 88.015 -20.888 -6.056 1.00 0.00 H new ATOM 0 HH22 ARG A 108 89.322 -20.864 -7.245 1.00 0.00 H new ATOM 1689 N GLY A 109 87.353 -12.938 -10.309 1.00 0.00 N ATOM 1690 CA GLY A 109 87.715 -12.632 -11.688 1.00 0.00 C ATOM 1691 C GLY A 109 88.985 -13.371 -12.095 1.00 0.00 C ATOM 1692 O GLY A 109 89.268 -13.531 -13.283 1.00 0.00 O ATOM 0 H GLY A 109 87.408 -12.146 -9.669 1.00 0.00 H new ATOM 0 HA2 GLY A 109 86.898 -12.912 -12.353 1.00 0.00 H new ATOM 0 HA3 GLY A 109 87.863 -11.558 -11.799 1.00 0.00 H new ATOM 1696 N VAL A 110 89.746 -13.820 -11.102 1.00 0.00 N ATOM 1697 CA VAL A 110 90.985 -14.543 -11.370 1.00 0.00 C ATOM 1698 C VAL A 110 90.765 -15.608 -12.438 1.00 0.00 C ATOM 1699 O VAL A 110 91.463 -15.571 -13.438 1.00 0.00 O ATOM 1700 CB VAL A 110 91.492 -15.200 -10.086 1.00 0.00 C ATOM 1701 CG1 VAL A 110 92.397 -16.382 -10.439 1.00 0.00 C ATOM 1702 CG2 VAL A 110 92.287 -14.179 -9.268 1.00 0.00 C ATOM 1703 OXT VAL A 110 89.901 -16.447 -12.241 1.00 0.00 O ATOM 0 H VAL A 110 89.530 -13.698 -10.113 1.00 0.00 H new ATOM 0 HA VAL A 110 91.728 -13.832 -11.732 1.00 0.00 H new ATOM 0 HB VAL A 110 90.643 -15.553 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 110 92.758 -16.850 -9.523 1.00 0.00 H new ATOM 0 HG12 VAL A 110 91.833 -17.111 -11.021 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.246 -16.028 -11.025 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.648 -14.648 -8.353 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.135 -13.825 -9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.644 -13.336 -9.014 1.00 0.00 H new TER 1713 VAL A 110