USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 819 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 25 HIS : no HE2:sc= -12.3! C(o=-14!,f=-19!) USER MOD Set 1.2: A 54 SER OG : rot -110:sc= -1.45 USER MOD Single : A 1 VAL N :NH3+ -117:sc= -1.72 (180deg=-2.41!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.949 USER MOD Single : A 5 TYR OH : rot 143:sc= 0.0165 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.862 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -144:sc= -0.197 (180deg=-1.16) USER MOD Single : A 17 SER OG : rot -86:sc= -0.593 USER MOD Single : A 21 SER OG : rot 142:sc= 0.401 USER MOD Single : A 22 ASN : amide:sc= -1.17 K(o=-1.2,f=-8.1!) USER MOD Single : A 28 MET CE :methyl -123:sc= -0.502 (180deg=-0.989) USER MOD Single : A 30 GLN : amide:sc= -0.0416 K(o=-0.042,f=-1.7!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.43 K(o=-1.4,f=-3) USER MOD Single : A 56 SER OG : rot -120:sc= 0 USER MOD Single : A 59 THR OG1 : rot -96:sc= 1.26 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 69 ASN : amide:sc= 0.197 K(o=0.2,f=-1.7!) USER MOD Single : A 70 SER OG : rot -130:sc= -0.858 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0468 USER MOD Single : A 84 ASN : amide:sc= 0.00799 X(o=0.008,f=-0.41) USER MOD Single : A 86 ASN : amide:sc= -3.04 K(o=-3,f=-6.4!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 15:sc= 0.0921 USER MOD Single : A 92 LYS NZ :NH3+ -107:sc= 0 (180deg=-0.0735) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00816 USER MOD Single : A 104 ASN : amide:sc= -0.136 K(o=-0.14,f=-0.78) USER MOD Single : A 106 ASN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc=-0.00659 K(o=-0.0066,f=-1.2!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.705 K(o=-0.7,f=-1.6!) USER MOD Single : A 117 ASN : amide:sc= -0.586 K(o=-0.59,f=-1.5!) USER MOD Single : A 120 ASN : amide:sc= -0.0412 K(o=-0.041,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 90.701 -3.063 14.004 1.00 0.00 N ATOM 2 CA VAL A 1 90.478 -3.452 12.581 1.00 0.00 C ATOM 3 C VAL A 1 91.696 -4.203 12.032 1.00 0.00 C ATOM 4 O VAL A 1 92.823 -3.936 12.414 1.00 0.00 O ATOM 5 CB VAL A 1 90.279 -2.133 11.822 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.040 -1.413 12.357 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.500 -1.238 12.006 1.00 0.00 C ATOM 0 H1 VAL A 1 90.002 -3.540 14.608 1.00 0.00 H new ATOM 0 H2 VAL A 1 91.659 -3.345 14.295 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.598 -2.033 14.102 1.00 0.00 H new ATOM 0 HA VAL A 1 89.620 -4.116 12.475 1.00 0.00 H new ATOM 0 HB VAL A 1 90.147 -2.351 10.762 1.00 0.00 H new ATOM 0 HG11 VAL A 1 88.901 -0.477 11.816 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.163 -2.046 12.218 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.171 -1.203 13.418 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.351 -0.304 11.464 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.638 -1.025 13.066 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.384 -1.745 11.619 1.00 0.00 H new ATOM 17 N SER A 2 91.473 -5.151 11.157 1.00 0.00 N ATOM 18 CA SER A 2 92.610 -5.930 10.584 1.00 0.00 C ATOM 19 C SER A 2 92.759 -5.622 9.089 1.00 0.00 C ATOM 20 O SER A 2 91.790 -5.382 8.394 1.00 0.00 O ATOM 21 CB SER A 2 92.238 -7.396 10.797 1.00 0.00 C ATOM 22 OG SER A 2 91.096 -7.709 10.010 1.00 0.00 O ATOM 0 H SER A 2 90.550 -5.419 10.815 1.00 0.00 H new ATOM 0 HA SER A 2 93.560 -5.682 11.056 1.00 0.00 H new ATOM 0 HB2 SER A 2 93.073 -8.039 10.519 1.00 0.00 H new ATOM 0 HB3 SER A 2 92.030 -7.581 11.851 1.00 0.00 H new ATOM 0 HG SER A 2 90.855 -8.650 10.143 1.00 0.00 H new ATOM 28 N ILE A 3 93.971 -5.618 8.600 1.00 0.00 N ATOM 29 CA ILE A 3 94.215 -5.318 7.156 1.00 0.00 C ATOM 30 C ILE A 3 94.903 -6.498 6.466 1.00 0.00 C ATOM 31 O ILE A 3 95.657 -7.232 7.076 1.00 0.00 O ATOM 32 CB ILE A 3 95.144 -4.094 7.150 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.467 -4.420 7.854 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.463 -2.930 7.875 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.468 -3.296 7.587 1.00 0.00 C ATOM 0 H ILE A 3 94.812 -5.812 9.144 1.00 0.00 H new ATOM 0 HA ILE A 3 93.283 -5.135 6.621 1.00 0.00 H new ATOM 0 HB ILE A 3 95.350 -3.819 6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.305 -4.532 8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 3 96.862 -5.369 7.491 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.123 -2.062 7.870 1.00 0.00 H new ATOM 0 HG22 ILE A 3 93.531 -2.680 7.367 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.249 -3.218 8.904 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.411 -3.522 8.085 1.00 0.00 H new ATOM 0 HD12 ILE A 3 97.637 -3.207 6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.071 -2.356 7.971 1.00 0.00 H new ATOM 47 N SER A 4 94.656 -6.673 5.195 1.00 0.00 N ATOM 48 CA SER A 4 95.296 -7.785 4.437 1.00 0.00 C ATOM 49 C SER A 4 95.563 -7.313 3.006 1.00 0.00 C ATOM 50 O SER A 4 95.380 -6.152 2.691 1.00 0.00 O ATOM 51 CB SER A 4 94.276 -8.922 4.449 1.00 0.00 C ATOM 52 OG SER A 4 94.574 -9.808 5.520 1.00 0.00 O ATOM 0 H SER A 4 94.030 -6.085 4.644 1.00 0.00 H new ATOM 0 HA SER A 4 96.245 -8.104 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.269 -8.521 4.563 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.301 -9.458 3.500 1.00 0.00 H new ATOM 0 HG SER A 4 93.920 -10.538 5.532 1.00 0.00 H new ATOM 58 N TYR A 5 95.983 -8.195 2.137 1.00 0.00 N ATOM 59 CA TYR A 5 96.241 -7.780 0.725 1.00 0.00 C ATOM 60 C TYR A 5 95.777 -8.877 -0.243 1.00 0.00 C ATOM 61 O TYR A 5 95.888 -10.053 0.051 1.00 0.00 O ATOM 62 CB TYR A 5 97.761 -7.583 0.636 1.00 0.00 C ATOM 63 CG TYR A 5 98.476 -8.881 0.943 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.746 -9.787 -0.090 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.858 -9.181 2.255 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.400 -10.993 0.187 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.513 -10.388 2.533 1.00 0.00 C ATOM 68 CZ TYR A 5 99.783 -11.293 1.499 1.00 0.00 C ATOM 69 OH TYR A 5 100.425 -12.484 1.773 1.00 0.00 O ATOM 0 H TYR A 5 96.158 -9.179 2.341 1.00 0.00 H new ATOM 0 HA TYR A 5 95.700 -6.873 0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 5 98.032 -7.237 -0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 5 98.077 -6.811 1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.449 -9.555 -1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.648 -8.483 3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.609 -11.691 -0.610 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.810 -10.620 3.545 1.00 0.00 H new ATOM 0 HH TYR A 5 101.104 -12.338 2.465 1.00 0.00 H new ATOM 79 N ASP A 6 95.277 -8.505 -1.398 1.00 0.00 N ATOM 80 CA ASP A 6 94.833 -9.533 -2.383 1.00 0.00 C ATOM 81 C ASP A 6 95.280 -9.133 -3.798 1.00 0.00 C ATOM 82 O ASP A 6 95.379 -7.959 -4.094 1.00 0.00 O ATOM 83 CB ASP A 6 93.309 -9.555 -2.281 1.00 0.00 C ATOM 84 CG ASP A 6 92.886 -10.494 -1.148 1.00 0.00 C ATOM 85 OD1 ASP A 6 93.293 -10.256 -0.023 1.00 0.00 O1- ATOM 86 OD2 ASP A 6 92.166 -11.439 -1.427 1.00 0.00 O ATOM 0 H ASP A 6 95.159 -7.537 -1.697 1.00 0.00 H new ATOM 0 HA ASP A 6 95.262 -10.514 -2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.932 -8.550 -2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.876 -9.888 -3.224 1.00 0.00 H new ATOM 91 N PRO A 7 95.536 -10.117 -4.636 1.00 0.00 N ATOM 92 CA PRO A 7 95.971 -9.831 -6.024 1.00 0.00 C ATOM 93 C PRO A 7 94.756 -9.619 -6.938 1.00 0.00 C ATOM 94 O PRO A 7 94.665 -10.196 -8.005 1.00 0.00 O ATOM 95 CB PRO A 7 96.718 -11.098 -6.425 1.00 0.00 C ATOM 96 CG PRO A 7 96.147 -12.194 -5.571 1.00 0.00 C ATOM 97 CD PRO A 7 95.458 -11.561 -4.384 1.00 0.00 C ATOM 0 HA PRO A 7 96.577 -8.928 -6.103 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.580 -11.315 -7.484 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.790 -10.990 -6.258 1.00 0.00 H new ATOM 0 HG2 PRO A 7 95.440 -12.793 -6.145 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.938 -12.866 -5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.423 -11.894 -4.303 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.953 -11.828 -3.450 1.00 0.00 H new ATOM 105 N ILE A 8 93.822 -8.809 -6.518 1.00 0.00 N ATOM 106 CA ILE A 8 92.602 -8.561 -7.336 1.00 0.00 C ATOM 107 C ILE A 8 92.489 -7.076 -7.724 1.00 0.00 C ATOM 108 O ILE A 8 91.645 -6.712 -8.521 1.00 0.00 O ATOM 109 CB ILE A 8 91.444 -9.012 -6.439 1.00 0.00 C ATOM 110 CG1 ILE A 8 90.116 -8.832 -7.166 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.424 -8.181 -5.155 1.00 0.00 C ATOM 112 CD1 ILE A 8 90.065 -9.754 -8.386 1.00 0.00 C ATOM 0 H ILE A 8 93.854 -8.303 -5.633 1.00 0.00 H new ATOM 0 HA ILE A 8 92.613 -9.102 -8.282 1.00 0.00 H new ATOM 0 HB ILE A 8 91.586 -10.065 -6.194 1.00 0.00 H new ATOM 0 HG12 ILE A 8 89.289 -9.058 -6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 8 89.999 -7.794 -7.478 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.598 -8.508 -4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 8 92.365 -8.314 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 8 91.295 -7.128 -5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.114 -9.622 -8.902 1.00 0.00 H new ATOM 0 HD12 ILE A 8 90.883 -9.507 -9.063 1.00 0.00 H new ATOM 0 HD13 ILE A 8 90.162 -10.791 -8.063 1.00 0.00 H new ATOM 124 N TYR A 9 93.340 -6.227 -7.209 1.00 0.00 N ATOM 125 CA TYR A 9 93.281 -4.787 -7.598 1.00 0.00 C ATOM 126 C TYR A 9 94.623 -4.342 -8.177 1.00 0.00 C ATOM 127 O TYR A 9 95.345 -3.547 -7.616 1.00 0.00 O ATOM 128 CB TYR A 9 92.901 -3.993 -6.348 1.00 0.00 C ATOM 129 CG TYR A 9 91.576 -4.488 -5.815 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.464 -4.575 -6.665 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.465 -4.871 -4.474 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.241 -5.045 -6.173 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.242 -5.344 -3.982 1.00 0.00 C ATOM 134 CZ TYR A 9 89.133 -5.431 -4.830 1.00 0.00 C ATOM 135 OH TYR A 9 87.935 -5.905 -4.342 1.00 0.00 O ATOM 0 H TYR A 9 94.070 -6.467 -6.539 1.00 0.00 H new ATOM 0 HA TYR A 9 92.537 -4.616 -8.376 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.674 -4.102 -5.587 1.00 0.00 H new ATOM 0 HB3 TYR A 9 92.835 -2.931 -6.586 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.551 -4.279 -7.700 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.321 -4.802 -3.819 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.383 -5.110 -6.826 1.00 0.00 H new ATOM 0 HE2 TYR A 9 90.155 -5.642 -2.947 1.00 0.00 H new ATOM 0 HH TYR A 9 88.034 -6.128 -3.393 1.00 0.00 H new ATOM 145 N ALA A 10 94.896 -4.833 -9.358 1.00 0.00 N ATOM 146 CA ALA A 10 96.121 -4.459 -10.114 1.00 0.00 C ATOM 147 C ALA A 10 95.722 -3.439 -11.182 1.00 0.00 C ATOM 148 O ALA A 10 94.560 -3.121 -11.350 1.00 0.00 O ATOM 149 CB ALA A 10 96.652 -5.752 -10.737 1.00 0.00 C ATOM 0 H ALA A 10 94.297 -5.501 -9.843 1.00 0.00 H new ATOM 0 HA ALA A 10 96.893 -4.009 -9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.556 -5.537 -11.307 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.882 -6.468 -9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.896 -6.173 -11.400 1.00 0.00 H new ATOM 155 N ALA A 11 96.695 -2.863 -11.835 1.00 0.00 N ATOM 156 CA ALA A 11 96.413 -1.778 -12.826 1.00 0.00 C ATOM 157 C ALA A 11 95.444 -2.195 -13.938 1.00 0.00 C ATOM 158 O ALA A 11 94.765 -1.345 -14.488 1.00 0.00 O ATOM 159 CB ALA A 11 97.774 -1.402 -13.419 1.00 0.00 C ATOM 0 H ALA A 11 97.682 -3.098 -11.725 1.00 0.00 H new ATOM 0 HA ALA A 11 95.919 -0.944 -12.326 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.643 -0.609 -14.156 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.433 -1.053 -12.624 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.215 -2.275 -13.900 1.00 0.00 H new ATOM 165 N ASP A 12 95.377 -3.453 -14.317 1.00 0.00 N ATOM 166 CA ASP A 12 94.450 -3.809 -15.439 1.00 0.00 C ATOM 167 C ASP A 12 93.057 -4.205 -14.937 1.00 0.00 C ATOM 168 O ASP A 12 92.253 -4.730 -15.685 1.00 0.00 O ATOM 169 CB ASP A 12 95.123 -4.959 -16.185 1.00 0.00 C ATOM 170 CG ASP A 12 96.305 -4.428 -17.001 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.258 -3.276 -17.403 1.00 0.00 O ATOM 172 OD2 ASP A 12 97.240 -5.185 -17.213 1.00 0.00 O1- ATOM 0 H ASP A 12 95.906 -4.225 -13.912 1.00 0.00 H new ATOM 0 HA ASP A 12 94.283 -2.951 -16.091 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.468 -5.712 -15.476 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.405 -5.447 -16.844 1.00 0.00 H new ATOM 177 N LEU A 13 92.760 -3.960 -13.687 1.00 0.00 N ATOM 178 CA LEU A 13 91.414 -4.321 -13.146 1.00 0.00 C ATOM 179 C LEU A 13 90.351 -3.413 -13.756 1.00 0.00 C ATOM 180 O LEU A 13 90.361 -2.212 -13.556 1.00 0.00 O ATOM 181 CB LEU A 13 91.508 -4.074 -11.634 1.00 0.00 C ATOM 182 CG LEU A 13 90.494 -4.952 -10.880 1.00 0.00 C ATOM 183 CD1 LEU A 13 89.070 -4.664 -11.367 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.823 -6.428 -11.113 1.00 0.00 C ATOM 0 H LEU A 13 93.392 -3.525 -13.016 1.00 0.00 H new ATOM 0 HA LEU A 13 91.141 -5.351 -13.376 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.517 -4.293 -11.286 1.00 0.00 H new ATOM 0 HB3 LEU A 13 91.318 -3.022 -11.419 1.00 0.00 H new ATOM 0 HG LEU A 13 90.555 -4.724 -9.816 1.00 0.00 H new ATOM 0 HD11 LEU A 13 88.365 -5.293 -10.824 1.00 0.00 H new ATOM 0 HD12 LEU A 13 88.830 -3.615 -11.191 1.00 0.00 H new ATOM 0 HD13 LEU A 13 89.000 -4.878 -12.433 1.00 0.00 H new ATOM 0 HD21 LEU A 13 90.105 -7.050 -10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 13 90.771 -6.648 -12.179 1.00 0.00 H new ATOM 0 HD23 LEU A 13 91.828 -6.639 -10.747 1.00 0.00 H new ATOM 196 N SER A 14 89.435 -3.979 -14.498 1.00 0.00 N ATOM 197 CA SER A 14 88.369 -3.146 -15.121 1.00 0.00 C ATOM 198 C SER A 14 87.478 -2.546 -14.034 1.00 0.00 C ATOM 199 O SER A 14 87.132 -3.193 -13.065 1.00 0.00 O ATOM 200 CB SER A 14 87.579 -4.087 -16.027 1.00 0.00 C ATOM 201 OG SER A 14 86.535 -3.361 -16.663 1.00 0.00 O ATOM 0 H SER A 14 89.380 -4.978 -14.698 1.00 0.00 H new ATOM 0 HA SER A 14 88.779 -2.312 -15.692 1.00 0.00 H new ATOM 0 HB2 SER A 14 88.238 -4.529 -16.775 1.00 0.00 H new ATOM 0 HB3 SER A 14 87.163 -4.908 -15.443 1.00 0.00 H new ATOM 0 HG SER A 14 86.027 -3.962 -17.247 1.00 0.00 H new ATOM 207 N MET A 15 87.132 -1.298 -14.188 1.00 0.00 N ATOM 208 CA MET A 15 86.285 -0.607 -13.165 1.00 0.00 C ATOM 209 C MET A 15 84.862 -1.178 -13.127 1.00 0.00 C ATOM 210 O MET A 15 84.132 -0.947 -12.183 1.00 0.00 O ATOM 211 CB MET A 15 86.270 0.866 -13.579 1.00 0.00 C ATOM 212 CG MET A 15 87.683 1.439 -13.453 1.00 0.00 C ATOM 213 SD MET A 15 88.138 1.557 -11.704 1.00 0.00 S ATOM 214 CE MET A 15 87.025 2.915 -11.269 1.00 0.00 C ATOM 0 H MET A 15 87.400 -0.719 -14.984 1.00 0.00 H new ATOM 0 HA MET A 15 86.687 -0.746 -12.161 1.00 0.00 H new ATOM 0 HB2 MET A 15 85.915 0.964 -14.605 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.580 1.426 -12.948 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.393 0.803 -13.982 1.00 0.00 H new ATOM 0 HG3 MET A 15 87.730 2.424 -13.918 1.00 0.00 H new ATOM 0 HE1 MET A 15 87.509 3.562 -10.537 1.00 0.00 H new ATOM 0 HE2 MET A 15 86.788 3.492 -12.163 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.106 2.511 -10.845 1.00 0.00 H new ATOM 224 N GLY A 16 84.448 -1.908 -14.134 1.00 0.00 N ATOM 225 CA GLY A 16 83.065 -2.476 -14.131 1.00 0.00 C ATOM 226 C GLY A 16 82.972 -3.666 -13.169 1.00 0.00 C ATOM 227 O GLY A 16 81.890 -4.119 -12.846 1.00 0.00 O ATOM 0 H GLY A 16 85.007 -2.134 -14.956 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.351 -1.707 -13.837 1.00 0.00 H new ATOM 0 HA3 GLY A 16 82.794 -2.794 -15.138 1.00 0.00 H new ATOM 231 N SER A 17 84.088 -4.190 -12.723 1.00 0.00 N ATOM 232 CA SER A 17 84.057 -5.365 -11.802 1.00 0.00 C ATOM 233 C SER A 17 84.134 -4.935 -10.330 1.00 0.00 C ATOM 234 O SER A 17 83.806 -5.703 -9.444 1.00 0.00 O ATOM 235 CB SER A 17 85.293 -6.180 -12.178 1.00 0.00 C ATOM 236 OG SER A 17 86.456 -5.397 -11.945 1.00 0.00 O ATOM 0 H SER A 17 85.021 -3.852 -12.959 1.00 0.00 H new ATOM 0 HA SER A 17 83.129 -5.928 -11.903 1.00 0.00 H new ATOM 0 HB2 SER A 17 85.333 -7.096 -11.589 1.00 0.00 H new ATOM 0 HB3 SER A 17 85.243 -6.477 -13.226 1.00 0.00 H new ATOM 0 HG SER A 17 86.638 -4.840 -12.730 1.00 0.00 H new ATOM 242 N VAL A 18 84.561 -3.728 -10.059 1.00 0.00 N ATOM 243 CA VAL A 18 84.656 -3.270 -8.644 1.00 0.00 C ATOM 244 C VAL A 18 83.307 -2.682 -8.213 1.00 0.00 C ATOM 245 O VAL A 18 82.501 -2.304 -9.040 1.00 0.00 O ATOM 246 CB VAL A 18 85.782 -2.217 -8.644 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.335 -0.942 -9.373 1.00 0.00 C ATOM 248 CG2 VAL A 18 86.168 -1.872 -7.207 1.00 0.00 C ATOM 0 H VAL A 18 84.847 -3.042 -10.757 1.00 0.00 H new ATOM 0 HA VAL A 18 84.881 -4.071 -7.939 1.00 0.00 H new ATOM 0 HB VAL A 18 86.643 -2.635 -9.166 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.145 -0.213 -9.361 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.080 -1.183 -10.405 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.462 -0.523 -8.872 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.964 -1.127 -7.213 1.00 0.00 H new ATOM 0 HG22 VAL A 18 85.300 -1.471 -6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 18 86.516 -2.771 -6.698 1.00 0.00 H new ATOM 258 N ALA A 19 83.048 -2.610 -6.930 1.00 0.00 N ATOM 259 CA ALA A 19 81.738 -2.052 -6.453 1.00 0.00 C ATOM 260 C ALA A 19 81.497 -0.665 -7.062 1.00 0.00 C ATOM 261 O ALA A 19 80.396 -0.338 -7.455 1.00 0.00 O ATOM 262 CB ALA A 19 81.872 -1.955 -4.933 1.00 0.00 C ATOM 0 H ALA A 19 83.684 -2.912 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 19 80.895 -2.678 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.950 -1.554 -4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 19 82.059 -2.946 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.703 -1.295 -4.682 1.00 0.00 H new ATOM 268 N CYS A 20 82.522 0.142 -7.153 1.00 0.00 N ATOM 269 CA CYS A 20 82.353 1.500 -7.756 1.00 0.00 C ATOM 270 C CYS A 20 82.331 1.360 -9.287 1.00 0.00 C ATOM 271 O CYS A 20 83.352 1.512 -9.932 1.00 0.00 O ATOM 272 CB CYS A 20 83.588 2.305 -7.315 1.00 0.00 C ATOM 273 SG CYS A 20 83.734 2.337 -5.501 1.00 0.00 S ATOM 0 H CYS A 20 83.466 -0.079 -6.837 1.00 0.00 H new ATOM 0 HA CYS A 20 81.430 1.988 -7.443 1.00 0.00 H new ATOM 0 HB2 CYS A 20 84.486 1.865 -7.748 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.517 3.324 -7.695 1.00 0.00 H new ATOM 278 N SER A 21 81.196 1.025 -9.876 1.00 0.00 N ATOM 279 CA SER A 21 81.166 0.826 -11.362 1.00 0.00 C ATOM 280 C SER A 21 80.831 2.113 -12.130 1.00 0.00 C ATOM 281 O SER A 21 81.723 2.767 -12.635 1.00 0.00 O ATOM 282 CB SER A 21 80.096 -0.238 -11.602 1.00 0.00 C ATOM 283 OG SER A 21 80.436 -1.418 -10.886 1.00 0.00 O ATOM 0 H SER A 21 80.307 0.884 -9.397 1.00 0.00 H new ATOM 0 HA SER A 21 82.148 0.526 -11.727 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.122 0.130 -11.278 1.00 0.00 H new ATOM 0 HB3 SER A 21 80.016 -0.456 -12.667 1.00 0.00 H new ATOM 0 HG SER A 21 79.623 -1.822 -10.517 1.00 0.00 H new ATOM 289 N ASN A 22 79.574 2.493 -12.237 1.00 0.00 N ATOM 290 CA ASN A 22 79.258 3.747 -12.996 1.00 0.00 C ATOM 291 C ASN A 22 77.943 4.387 -12.549 1.00 0.00 C ATOM 292 O ASN A 22 77.353 5.165 -13.277 1.00 0.00 O ATOM 293 CB ASN A 22 79.170 3.329 -14.463 1.00 0.00 C ATOM 294 CG ASN A 22 78.064 2.287 -14.659 1.00 0.00 C ATOM 295 OD1 ASN A 22 77.784 1.497 -13.780 1.00 0.00 O ATOM 296 ND2 ASN A 22 77.416 2.253 -15.791 1.00 0.00 N ATOM 0 H ASN A 22 78.773 2.001 -11.841 1.00 0.00 H new ATOM 0 HA ASN A 22 80.027 4.499 -12.820 1.00 0.00 H new ATOM 0 HB2 ASN A 22 78.970 4.202 -15.084 1.00 0.00 H new ATOM 0 HB3 ASN A 22 80.126 2.919 -14.788 1.00 0.00 H new ATOM 0 HD21 ASN A 22 76.677 1.565 -15.935 1.00 0.00 H new ATOM 0 HD22 ASN A 22 77.648 2.915 -16.532 1.00 0.00 H new ATOM 303 N GLY A 23 77.480 4.072 -11.376 1.00 0.00 N ATOM 304 CA GLY A 23 76.200 4.670 -10.891 1.00 0.00 C ATOM 305 C GLY A 23 76.381 6.179 -10.713 1.00 0.00 C ATOM 306 O GLY A 23 77.108 6.824 -11.444 1.00 0.00 O ATOM 0 H GLY A 23 77.930 3.426 -10.728 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.399 4.470 -11.603 1.00 0.00 H new ATOM 0 HA3 GLY A 23 75.907 4.213 -9.945 1.00 0.00 H new ATOM 310 N ASP A 24 75.739 6.730 -9.723 1.00 0.00 N ATOM 311 CA ASP A 24 75.870 8.196 -9.438 1.00 0.00 C ATOM 312 C ASP A 24 77.269 8.497 -8.911 1.00 0.00 C ATOM 313 O ASP A 24 77.866 9.495 -9.270 1.00 0.00 O ATOM 314 CB ASP A 24 74.836 8.475 -8.343 1.00 0.00 C ATOM 315 CG ASP A 24 73.416 8.364 -8.914 1.00 0.00 C ATOM 316 OD1 ASP A 24 73.264 8.481 -10.121 1.00 0.00 O1- ATOM 317 OD2 ASP A 24 72.502 8.169 -8.131 1.00 0.00 O ATOM 0 H ASP A 24 75.120 6.226 -9.088 1.00 0.00 H new ATOM 0 HA ASP A 24 75.712 8.807 -10.327 1.00 0.00 H new ATOM 0 HB2 ASP A 24 74.963 7.767 -7.524 1.00 0.00 H new ATOM 0 HB3 ASP A 24 74.993 9.471 -7.930 1.00 0.00 H new ATOM 322 N HIS A 25 77.802 7.648 -8.077 1.00 0.00 N ATOM 323 CA HIS A 25 79.171 7.891 -7.540 1.00 0.00 C ATOM 324 C HIS A 25 80.219 7.122 -8.385 1.00 0.00 C ATOM 325 O HIS A 25 81.389 7.098 -8.054 1.00 0.00 O ATOM 326 CB HIS A 25 79.109 7.380 -6.076 1.00 0.00 C ATOM 327 CG HIS A 25 79.453 5.921 -6.016 1.00 0.00 C ATOM 328 ND1 HIS A 25 80.757 5.487 -6.132 1.00 0.00 N ATOM 329 CD2 HIS A 25 78.684 4.795 -5.948 1.00 0.00 C ATOM 330 CE1 HIS A 25 80.735 4.152 -6.145 1.00 0.00 C ATOM 331 NE2 HIS A 25 79.501 3.675 -6.033 1.00 0.00 N ATOM 0 H HIS A 25 77.349 6.797 -7.744 1.00 0.00 H new ATOM 0 HA HIS A 25 79.470 8.938 -7.580 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.802 7.949 -5.456 1.00 0.00 H new ATOM 0 HB3 HIS A 25 78.111 7.542 -5.670 1.00 0.00 H new ATOM 0 HD1 HIS A 25 81.586 6.078 -6.196 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.609 4.778 -5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 25 81.616 3.534 -6.236 1.00 0.00 H new ATOM 339 N GLY A 26 79.800 6.478 -9.452 1.00 0.00 N ATOM 340 CA GLY A 26 80.756 5.693 -10.288 1.00 0.00 C ATOM 341 C GLY A 26 81.902 6.569 -10.784 1.00 0.00 C ATOM 342 O GLY A 26 81.718 7.707 -11.171 1.00 0.00 O ATOM 0 H GLY A 26 78.833 6.465 -9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.155 4.862 -9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.230 5.262 -11.139 1.00 0.00 H new ATOM 346 N LEU A 27 83.083 6.017 -10.795 1.00 0.00 N ATOM 347 CA LEU A 27 84.275 6.762 -11.288 1.00 0.00 C ATOM 348 C LEU A 27 84.674 6.268 -12.689 1.00 0.00 C ATOM 349 O LEU A 27 85.628 6.748 -13.267 1.00 0.00 O ATOM 350 CB LEU A 27 85.379 6.440 -10.281 1.00 0.00 C ATOM 351 CG LEU A 27 85.007 7.014 -8.909 1.00 0.00 C ATOM 352 CD1 LEU A 27 85.997 6.510 -7.848 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.045 8.545 -8.970 1.00 0.00 C ATOM 0 H LEU A 27 83.275 5.067 -10.478 1.00 0.00 H new ATOM 0 HA LEU A 27 84.087 7.833 -11.370 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.517 5.361 -10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.326 6.861 -10.618 1.00 0.00 H new ATOM 0 HG LEU A 27 84.002 6.687 -8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 27 85.728 6.921 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 27 85.961 5.421 -7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.006 6.829 -8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 27 84.781 8.955 -7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.048 8.874 -9.242 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.333 8.897 -9.717 1.00 0.00 H new ATOM 365 N MET A 28 83.957 5.310 -13.238 1.00 0.00 N ATOM 366 CA MET A 28 84.301 4.787 -14.597 1.00 0.00 C ATOM 367 C MET A 28 84.231 5.907 -15.636 1.00 0.00 C ATOM 368 O MET A 28 84.980 5.920 -16.595 1.00 0.00 O ATOM 369 CB MET A 28 83.254 3.709 -14.898 1.00 0.00 C ATOM 370 CG MET A 28 83.517 3.096 -16.277 1.00 0.00 C ATOM 371 SD MET A 28 82.264 1.838 -16.631 1.00 0.00 S ATOM 372 CE MET A 28 82.894 0.561 -15.514 1.00 0.00 C ATOM 0 H MET A 28 83.148 4.870 -12.800 1.00 0.00 H new ATOM 0 HA MET A 28 85.314 4.387 -14.631 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.288 2.933 -14.133 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.254 4.142 -14.868 1.00 0.00 H new ATOM 0 HG2 MET A 28 83.494 3.872 -17.042 1.00 0.00 H new ATOM 0 HG3 MET A 28 84.512 2.651 -16.305 1.00 0.00 H new ATOM 0 HE1 MET A 28 83.097 -0.349 -16.079 1.00 0.00 H new ATOM 0 HE2 MET A 28 83.814 0.910 -15.044 1.00 0.00 H new ATOM 0 HE3 MET A 28 82.151 0.352 -14.745 1.00 0.00 H new ATOM 382 N ALA A 29 83.309 6.826 -15.475 1.00 0.00 N ATOM 383 CA ALA A 29 83.155 7.925 -16.481 1.00 0.00 C ATOM 384 C ALA A 29 84.489 8.639 -16.739 1.00 0.00 C ATOM 385 O ALA A 29 85.101 8.460 -17.776 1.00 0.00 O ATOM 386 CB ALA A 29 82.141 8.893 -15.871 1.00 0.00 C ATOM 0 H ALA A 29 82.657 6.863 -14.691 1.00 0.00 H new ATOM 0 HA ALA A 29 82.826 7.536 -17.444 1.00 0.00 H new ATOM 0 HB1 ALA A 29 81.977 9.727 -16.554 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.198 8.373 -15.701 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.523 9.271 -14.923 1.00 0.00 H new ATOM 392 N GLN A 30 84.947 9.438 -15.805 1.00 0.00 N ATOM 393 CA GLN A 30 86.249 10.153 -16.000 1.00 0.00 C ATOM 394 C GLN A 30 87.409 9.160 -15.935 1.00 0.00 C ATOM 395 O GLN A 30 88.373 9.257 -16.671 1.00 0.00 O ATOM 396 CB GLN A 30 86.341 11.141 -14.842 1.00 0.00 C ATOM 397 CG GLN A 30 85.311 12.245 -15.040 1.00 0.00 C ATOM 398 CD GLN A 30 85.220 13.101 -13.771 1.00 0.00 C ATOM 399 OE1 GLN A 30 85.704 12.718 -12.724 1.00 0.00 O ATOM 400 NE2 GLN A 30 84.607 14.251 -13.820 1.00 0.00 N ATOM 0 H GLN A 30 84.478 9.626 -14.919 1.00 0.00 H new ATOM 0 HA GLN A 30 86.301 10.651 -16.968 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.164 10.628 -13.896 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.343 11.567 -14.791 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.590 12.867 -15.891 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.338 11.811 -15.268 1.00 0.00 H new ATOM 0 HE21 GLN A 30 84.200 14.575 -14.697 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.535 14.827 -12.981 1.00 0.00 H new ATOM 409 N TYR A 31 87.323 8.223 -15.032 1.00 0.00 N ATOM 410 CA TYR A 31 88.418 7.223 -14.864 1.00 0.00 C ATOM 411 C TYR A 31 87.879 5.818 -15.180 1.00 0.00 C ATOM 412 O TYR A 31 87.444 5.117 -14.289 1.00 0.00 O ATOM 413 CB TYR A 31 88.829 7.312 -13.383 1.00 0.00 C ATOM 414 CG TYR A 31 89.116 8.752 -13.002 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.333 9.347 -13.356 1.00 0.00 C ATOM 416 CD2 TYR A 31 88.155 9.490 -12.298 1.00 0.00 C ATOM 417 CE1 TYR A 31 90.589 10.679 -13.007 1.00 0.00 C ATOM 418 CE2 TYR A 31 88.412 10.821 -11.948 1.00 0.00 C ATOM 419 CZ TYR A 31 89.628 11.415 -12.303 1.00 0.00 C ATOM 420 OH TYR A 31 89.881 12.729 -11.959 1.00 0.00 O ATOM 0 H TYR A 31 86.534 8.105 -14.397 1.00 0.00 H new ATOM 0 HA TYR A 31 89.261 7.415 -15.528 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.034 6.914 -12.753 1.00 0.00 H new ATOM 0 HB3 TYR A 31 89.713 6.699 -13.206 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.074 8.779 -13.898 1.00 0.00 H new ATOM 0 HD2 TYR A 31 87.216 9.032 -12.025 1.00 0.00 H new ATOM 0 HE1 TYR A 31 91.527 11.138 -13.281 1.00 0.00 H new ATOM 0 HE2 TYR A 31 87.672 11.389 -11.404 1.00 0.00 H new ATOM 0 HH TYR A 31 89.111 13.095 -11.475 1.00 0.00 H new ATOM 430 N PRO A 32 87.908 5.449 -16.444 1.00 0.00 N ATOM 431 CA PRO A 32 87.390 4.118 -16.849 1.00 0.00 C ATOM 432 C PRO A 32 88.312 2.998 -16.356 1.00 0.00 C ATOM 433 O PRO A 32 87.880 1.880 -16.148 1.00 0.00 O ATOM 434 CB PRO A 32 87.374 4.185 -18.373 1.00 0.00 C ATOM 435 CG PRO A 32 88.397 5.214 -18.724 1.00 0.00 C ATOM 436 CD PRO A 32 88.414 6.212 -17.599 1.00 0.00 C ATOM 0 HA PRO A 32 86.409 3.899 -16.427 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.619 3.218 -18.813 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.389 4.465 -18.746 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.378 4.756 -18.849 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.149 5.700 -19.668 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.419 6.593 -17.417 1.00 0.00 H new ATOM 0 HD3 PRO A 32 87.782 7.072 -17.818 1.00 0.00 H new ATOM 444 N THR A 33 89.578 3.284 -16.177 1.00 0.00 N ATOM 445 CA THR A 33 90.529 2.233 -15.706 1.00 0.00 C ATOM 446 C THR A 33 91.109 2.611 -14.341 1.00 0.00 C ATOM 447 O THR A 33 91.054 3.750 -13.918 1.00 0.00 O ATOM 448 CB THR A 33 91.625 2.182 -16.767 1.00 0.00 C ATOM 449 OG1 THR A 33 91.031 2.118 -18.055 1.00 0.00 O ATOM 450 CG2 THR A 33 92.497 0.944 -16.542 1.00 0.00 C ATOM 0 H THR A 33 89.993 4.202 -16.337 1.00 0.00 H new ATOM 0 HA THR A 33 90.043 1.265 -15.581 1.00 0.00 H new ATOM 0 HB THR A 33 92.243 3.077 -16.696 1.00 0.00 H new ATOM 0 HG1 THR A 33 91.733 2.087 -18.738 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.280 0.908 -17.300 1.00 0.00 H new ATOM 0 HG22 THR A 33 92.952 0.994 -15.553 1.00 0.00 H new ATOM 0 HG23 THR A 33 91.881 0.047 -16.613 1.00 0.00 H new ATOM 458 N LEU A 34 91.644 1.643 -13.644 1.00 0.00 N ATOM 459 CA LEU A 34 92.214 1.897 -12.286 1.00 0.00 C ATOM 460 C LEU A 34 93.675 2.354 -12.372 1.00 0.00 C ATOM 461 O LEU A 34 94.539 1.603 -12.786 1.00 0.00 O ATOM 462 CB LEU A 34 92.124 0.536 -11.589 1.00 0.00 C ATOM 463 CG LEU A 34 92.662 0.635 -10.158 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.704 1.470 -9.301 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.776 -0.774 -9.571 1.00 0.00 C ATOM 0 H LEU A 34 91.711 0.676 -13.961 1.00 0.00 H new ATOM 0 HA LEU A 34 91.681 2.687 -11.757 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.089 0.196 -11.573 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.694 -0.205 -12.149 1.00 0.00 H new ATOM 0 HG LEU A 34 93.641 1.113 -10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.091 1.538 -8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.616 2.471 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.723 0.996 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.158 -0.714 -8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.793 -1.245 -9.563 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.458 -1.368 -10.180 1.00 0.00 H new ATOM 477 N GLY A 35 93.959 3.566 -11.975 1.00 0.00 N ATOM 478 CA GLY A 35 95.369 4.067 -12.019 1.00 0.00 C ATOM 479 C GLY A 35 95.379 5.599 -12.080 1.00 0.00 C ATOM 480 O GLY A 35 96.204 6.192 -12.750 1.00 0.00 O ATOM 0 H GLY A 35 93.275 4.234 -11.621 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.912 3.726 -11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.883 3.657 -12.889 1.00 0.00 H new ATOM 484 N GLU A 36 94.470 6.243 -11.390 1.00 0.00 N ATOM 485 CA GLU A 36 94.420 7.732 -11.407 1.00 0.00 C ATOM 486 C GLU A 36 93.601 8.256 -10.226 1.00 0.00 C ATOM 487 O GLU A 36 94.033 9.144 -9.514 1.00 0.00 O ATOM 488 CB GLU A 36 93.744 8.082 -12.725 1.00 0.00 C ATOM 489 CG GLU A 36 93.854 9.589 -12.970 1.00 0.00 C ATOM 490 CD GLU A 36 93.405 9.936 -14.397 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.172 9.022 -15.176 1.00 0.00 O ATOM 492 OE2 GLU A 36 93.301 11.116 -14.688 1.00 0.00 O1- ATOM 0 H GLU A 36 93.758 5.795 -10.813 1.00 0.00 H new ATOM 0 HA GLU A 36 95.410 8.179 -11.321 1.00 0.00 H new ATOM 0 HB2 GLU A 36 94.212 7.535 -13.543 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.696 7.782 -12.700 1.00 0.00 H new ATOM 0 HG2 GLU A 36 93.239 10.127 -12.248 1.00 0.00 H new ATOM 0 HG3 GLU A 36 94.883 9.914 -12.817 1.00 0.00 H new ATOM 499 N VAL A 37 92.427 7.711 -10.003 1.00 0.00 N ATOM 500 CA VAL A 37 91.592 8.181 -8.850 1.00 0.00 C ATOM 501 C VAL A 37 92.383 7.952 -7.538 1.00 0.00 C ATOM 502 O VAL A 37 92.681 8.900 -6.838 1.00 0.00 O ATOM 503 CB VAL A 37 90.286 7.357 -8.945 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.600 7.221 -7.578 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.328 8.067 -9.905 1.00 0.00 C ATOM 0 H VAL A 37 92.014 6.967 -10.565 1.00 0.00 H new ATOM 0 HA VAL A 37 91.353 9.244 -8.868 1.00 0.00 H new ATOM 0 HB VAL A 37 90.537 6.358 -9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.687 6.636 -7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.272 6.719 -6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.354 8.211 -7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.402 7.497 -9.982 1.00 0.00 H new ATOM 0 HG22 VAL A 37 89.109 9.066 -9.528 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.790 8.144 -10.889 1.00 0.00 H new ATOM 515 N PRO A 38 92.738 6.714 -7.265 1.00 0.00 N ATOM 516 CA PRO A 38 93.543 6.420 -6.053 1.00 0.00 C ATOM 517 C PRO A 38 94.998 6.819 -6.312 1.00 0.00 C ATOM 518 O PRO A 38 95.727 7.204 -5.419 1.00 0.00 O ATOM 519 CB PRO A 38 93.439 4.905 -5.908 1.00 0.00 C ATOM 520 CG PRO A 38 93.159 4.398 -7.285 1.00 0.00 C ATOM 521 CD PRO A 38 92.433 5.490 -8.026 1.00 0.00 C ATOM 0 HA PRO A 38 93.204 6.953 -5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.363 4.483 -5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.642 4.629 -5.217 1.00 0.00 H new ATOM 0 HG2 PRO A 38 94.087 4.139 -7.795 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.554 3.493 -7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.777 5.567 -9.057 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.360 5.301 -8.061 1.00 0.00 H new ATOM 529 N GLY A 39 95.416 6.696 -7.543 1.00 0.00 N ATOM 530 CA GLY A 39 96.814 7.024 -7.924 1.00 0.00 C ATOM 531 C GLY A 39 97.331 5.884 -8.799 1.00 0.00 C ATOM 532 O GLY A 39 97.643 6.075 -9.957 1.00 0.00 O ATOM 0 H GLY A 39 94.832 6.375 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.852 7.970 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.436 7.139 -7.037 1.00 0.00 H new ATOM 536 N PHE A 40 97.366 4.690 -8.235 1.00 0.00 N ATOM 537 CA PHE A 40 97.804 3.432 -8.951 1.00 0.00 C ATOM 538 C PHE A 40 98.255 2.366 -7.919 1.00 0.00 C ATOM 539 O PHE A 40 97.830 1.230 -7.995 1.00 0.00 O ATOM 540 CB PHE A 40 98.968 3.777 -9.932 1.00 0.00 C ATOM 541 CG PHE A 40 99.695 2.517 -10.389 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.972 1.345 -10.662 1.00 0.00 C ATOM 543 CD2 PHE A 40 101.087 2.526 -10.532 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.641 0.189 -11.077 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.756 1.366 -10.946 1.00 0.00 C ATOM 546 CZ PHE A 40 101.032 0.199 -11.218 1.00 0.00 C ATOM 0 H PHE A 40 97.097 4.530 -7.264 1.00 0.00 H new ATOM 0 HA PHE A 40 96.970 3.024 -9.521 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.572 4.306 -10.799 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.673 4.449 -9.443 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.898 1.336 -10.551 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.646 3.426 -10.323 1.00 0.00 H new ATOM 0 HE1 PHE A 40 99.083 -0.711 -11.289 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.830 1.372 -11.055 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.548 -0.694 -11.537 1.00 0.00 H new ATOM 556 N PRO A 41 99.138 2.749 -7.009 1.00 0.00 N ATOM 557 CA PRO A 41 99.678 1.805 -6.009 1.00 0.00 C ATOM 558 C PRO A 41 98.999 1.964 -4.641 1.00 0.00 C ATOM 559 O PRO A 41 99.404 1.345 -3.674 1.00 0.00 O ATOM 560 CB PRO A 41 101.133 2.263 -5.909 1.00 0.00 C ATOM 561 CG PRO A 41 101.130 3.719 -6.319 1.00 0.00 C ATOM 562 CD PRO A 41 99.736 4.062 -6.796 1.00 0.00 C ATOM 0 HA PRO A 41 99.534 0.761 -6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.513 2.142 -4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.776 1.673 -6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.413 4.353 -5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 41 101.859 3.895 -7.110 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.186 4.642 -6.055 1.00 0.00 H new ATOM 0 HD3 PRO A 41 99.755 4.652 -7.713 1.00 0.00 H new ATOM 570 N ASN A 42 97.989 2.791 -4.541 1.00 0.00 N ATOM 571 CA ASN A 42 97.312 2.991 -3.228 1.00 0.00 C ATOM 572 C ASN A 42 95.830 2.659 -3.351 1.00 0.00 C ATOM 573 O ASN A 42 94.972 3.404 -2.913 1.00 0.00 O ATOM 574 CB ASN A 42 97.515 4.470 -2.905 1.00 0.00 C ATOM 575 CG ASN A 42 98.765 4.629 -2.036 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.012 3.829 -1.155 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.571 5.632 -2.247 1.00 0.00 N ATOM 0 H ASN A 42 97.605 3.336 -5.313 1.00 0.00 H new ATOM 0 HA ASN A 42 97.714 2.348 -2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.622 5.044 -3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.643 4.864 -2.383 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.407 5.744 -1.673 1.00 0.00 H new ATOM 0 HD22 ASN A 42 99.366 6.305 -2.986 1.00 0.00 H new ATOM 584 N VAL A 43 95.533 1.540 -3.948 1.00 0.00 N ATOM 585 CA VAL A 43 94.116 1.127 -4.120 1.00 0.00 C ATOM 586 C VAL A 43 93.853 -0.185 -3.372 1.00 0.00 C ATOM 587 O VAL A 43 94.677 -1.088 -3.343 1.00 0.00 O ATOM 588 CB VAL A 43 93.926 0.973 -5.633 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.801 -0.165 -6.170 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.457 0.672 -5.922 1.00 0.00 C ATOM 0 H VAL A 43 96.220 0.888 -4.328 1.00 0.00 H new ATOM 0 HA VAL A 43 93.413 1.852 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 43 94.221 1.899 -6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.654 -0.261 -7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.849 0.054 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.523 -1.099 -5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 43 92.313 0.561 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 43 92.169 -0.252 -5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.839 1.492 -5.556 1.00 0.00 H new ATOM 600 N GLY A 44 92.701 -0.280 -2.765 1.00 0.00 N ATOM 601 CA GLY A 44 92.339 -1.507 -2.002 1.00 0.00 C ATOM 602 C GLY A 44 90.858 -1.439 -1.623 1.00 0.00 C ATOM 603 O GLY A 44 90.194 -0.453 -1.872 1.00 0.00 O ATOM 0 H GLY A 44 91.988 0.449 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.533 -2.395 -2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.954 -1.588 -1.106 1.00 0.00 H new ATOM 607 N GLY A 45 90.344 -2.474 -1.011 1.00 0.00 N ATOM 608 CA GLY A 45 88.909 -2.475 -0.606 1.00 0.00 C ATOM 609 C GLY A 45 88.778 -1.953 0.826 1.00 0.00 C ATOM 610 O GLY A 45 89.746 -1.881 1.559 1.00 0.00 O ATOM 0 H GLY A 45 90.860 -3.322 -0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.329 -1.851 -1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.502 -3.484 -0.674 1.00 0.00 H new ATOM 614 N ILE A 46 87.584 -1.607 1.231 1.00 0.00 N ATOM 615 CA ILE A 46 87.372 -1.110 2.625 1.00 0.00 C ATOM 616 C ILE A 46 85.909 -1.369 3.057 1.00 0.00 C ATOM 617 O ILE A 46 85.066 -1.648 2.230 1.00 0.00 O ATOM 618 CB ILE A 46 87.774 0.390 2.659 1.00 0.00 C ATOM 619 CG1 ILE A 46 87.584 1.078 1.287 1.00 0.00 C ATOM 620 CG2 ILE A 46 89.251 0.485 3.061 1.00 0.00 C ATOM 621 CD1 ILE A 46 88.036 2.538 1.366 1.00 0.00 C ATOM 0 H ILE A 46 86.743 -1.647 0.655 1.00 0.00 H new ATOM 0 HA ILE A 46 87.994 -1.642 3.345 1.00 0.00 H new ATOM 0 HB ILE A 46 87.130 0.899 3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 46 88.158 0.552 0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 46 86.537 1.029 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 46 89.553 1.532 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.389 0.039 4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.861 -0.048 2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 46 87.899 3.014 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 46 87.443 3.063 2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 46 89.089 2.578 1.644 1.00 0.00 H new ATOM 633 N PRO A 47 85.680 -1.347 4.356 1.00 0.00 N ATOM 634 CA PRO A 47 84.330 -1.676 4.927 1.00 0.00 C ATOM 635 C PRO A 47 83.213 -0.673 4.588 1.00 0.00 C ATOM 636 O PRO A 47 82.067 -1.064 4.454 1.00 0.00 O ATOM 637 CB PRO A 47 84.582 -1.671 6.436 1.00 0.00 C ATOM 638 CG PRO A 47 85.773 -0.795 6.625 1.00 0.00 C ATOM 639 CD PRO A 47 86.641 -1.003 5.421 1.00 0.00 C ATOM 0 HA PRO A 47 83.967 -2.616 4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.719 -1.286 6.979 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.770 -2.678 6.808 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.477 0.250 6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.307 -1.055 7.539 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.207 -0.105 5.175 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.365 -1.802 5.582 1.00 0.00 H new ATOM 647 N ASP A 48 83.500 0.599 4.496 1.00 0.00 N ATOM 648 CA ASP A 48 82.401 1.593 4.222 1.00 0.00 C ATOM 649 C ASP A 48 81.817 1.477 2.802 1.00 0.00 C ATOM 650 O ASP A 48 80.794 2.074 2.521 1.00 0.00 O ATOM 651 CB ASP A 48 83.012 2.973 4.459 1.00 0.00 C ATOM 652 CG ASP A 48 81.946 3.907 5.036 1.00 0.00 C ATOM 653 OD1 ASP A 48 80.799 3.782 4.639 1.00 0.00 O ATOM 654 OD2 ASP A 48 82.294 4.731 5.867 1.00 0.00 O1- ATOM 0 H ASP A 48 84.434 0.997 4.596 1.00 0.00 H new ATOM 0 HA ASP A 48 81.555 1.403 4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 48 83.855 2.897 5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 48 83.398 3.378 3.524 1.00 0.00 H new ATOM 659 N ILE A 49 82.414 0.715 1.915 1.00 0.00 N ATOM 660 CA ILE A 49 81.814 0.587 0.539 1.00 0.00 C ATOM 661 C ILE A 49 80.674 -0.440 0.573 1.00 0.00 C ATOM 662 O ILE A 49 80.832 -1.538 1.072 1.00 0.00 O ATOM 663 CB ILE A 49 82.933 0.100 -0.391 1.00 0.00 C ATOM 664 CG1 ILE A 49 84.192 0.966 -0.231 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.452 0.175 -1.843 1.00 0.00 C ATOM 666 CD1 ILE A 49 83.876 2.437 -0.520 1.00 0.00 C ATOM 0 H ILE A 49 83.271 0.186 2.074 1.00 0.00 H new ATOM 0 HA ILE A 49 81.408 1.537 0.192 1.00 0.00 H new ATOM 0 HB ILE A 49 83.181 -0.928 -0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.583 0.865 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.970 0.615 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 49 83.244 -0.170 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.573 -0.457 -1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 49 82.196 1.206 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.780 3.034 -0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 49 83.507 2.536 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 49 83.115 2.789 0.176 1.00 0.00 H new ATOM 678 N ALA A 50 79.518 -0.082 0.062 1.00 0.00 N ATOM 679 CA ALA A 50 78.354 -1.023 0.080 1.00 0.00 C ATOM 680 C ALA A 50 78.343 -1.947 -1.136 1.00 0.00 C ATOM 681 O ALA A 50 78.197 -3.148 -0.991 1.00 0.00 O ATOM 682 CB ALA A 50 77.118 -0.125 0.080 1.00 0.00 C ATOM 0 H ALA A 50 79.332 0.824 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 50 78.396 -1.680 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 50 76.220 -0.742 0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.132 0.513 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 50 77.119 0.495 -0.816 1.00 0.00 H new ATOM 688 N GLY A 51 78.481 -1.420 -2.327 1.00 0.00 N ATOM 689 CA GLY A 51 78.458 -2.314 -3.520 1.00 0.00 C ATOM 690 C GLY A 51 78.498 -1.514 -4.825 1.00 0.00 C ATOM 691 O GLY A 51 79.227 -0.551 -4.965 1.00 0.00 O ATOM 0 H GLY A 51 78.606 -0.427 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.310 -2.993 -3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.558 -2.929 -3.497 1.00 0.00 H new ATOM 695 N TRP A 52 77.726 -1.940 -5.792 1.00 0.00 N ATOM 696 CA TRP A 52 77.694 -1.269 -7.132 1.00 0.00 C ATOM 697 C TRP A 52 77.532 0.253 -7.034 1.00 0.00 C ATOM 698 O TRP A 52 77.926 0.971 -7.939 1.00 0.00 O ATOM 699 CB TRP A 52 76.467 -1.857 -7.841 1.00 0.00 C ATOM 700 CG TRP A 52 76.455 -1.357 -9.251 1.00 0.00 C ATOM 701 CD1 TRP A 52 77.216 -1.853 -10.252 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.682 -0.263 -9.824 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.960 -1.131 -11.405 1.00 0.00 N ATOM 704 CE2 TRP A 52 76.021 -0.142 -11.193 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.729 0.627 -9.296 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.438 0.831 -12.007 1.00 0.00 C ATOM 707 CZ3 TRP A 52 74.139 1.605 -10.113 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.494 1.707 -11.465 1.00 0.00 C ATOM 0 H TRP A 52 77.102 -2.742 -5.709 1.00 0.00 H new ATOM 0 HA TRP A 52 78.633 -1.440 -7.659 1.00 0.00 H new ATOM 0 HB2 TRP A 52 76.505 -2.946 -7.825 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.553 -1.562 -7.326 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.909 -2.677 -10.166 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.411 -1.308 -12.303 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.449 0.558 -8.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.715 0.906 -13.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.408 2.282 -9.697 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.038 2.462 -12.088 1.00 0.00 H new ATOM 719 N ASP A 53 76.968 0.757 -5.965 1.00 0.00 N ATOM 720 CA ASP A 53 76.792 2.230 -5.839 1.00 0.00 C ATOM 721 C ASP A 53 77.032 2.653 -4.388 1.00 0.00 C ATOM 722 O ASP A 53 76.115 2.990 -3.663 1.00 0.00 O ATOM 723 CB ASP A 53 75.346 2.500 -6.274 1.00 0.00 C ATOM 724 CG ASP A 53 74.999 3.979 -6.068 1.00 0.00 C ATOM 725 OD1 ASP A 53 75.263 4.760 -6.966 1.00 0.00 O ATOM 726 OD2 ASP A 53 74.473 4.302 -5.014 1.00 0.00 O1- ATOM 0 H ASP A 53 76.623 0.210 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 53 77.495 2.796 -6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.218 2.231 -7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 53 74.663 1.875 -5.699 1.00 0.00 H new ATOM 731 N SER A 54 78.263 2.617 -3.969 1.00 0.00 N ATOM 732 CA SER A 54 78.606 2.994 -2.570 1.00 0.00 C ATOM 733 C SER A 54 78.730 4.519 -2.444 1.00 0.00 C ATOM 734 O SER A 54 79.316 5.153 -3.299 1.00 0.00 O ATOM 735 CB SER A 54 79.953 2.324 -2.310 1.00 0.00 C ATOM 736 OG SER A 54 80.812 2.558 -3.417 1.00 0.00 O ATOM 0 H SER A 54 79.058 2.339 -4.544 1.00 0.00 H new ATOM 0 HA SER A 54 77.844 2.681 -1.856 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.400 2.720 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 54 79.817 1.253 -2.160 1.00 0.00 H new ATOM 0 HG SER A 54 80.951 1.720 -3.906 1.00 0.00 H new ATOM 742 N PRO A 55 78.181 5.072 -1.382 1.00 0.00 N ATOM 743 CA PRO A 55 78.258 6.535 -1.184 1.00 0.00 C ATOM 744 C PRO A 55 79.635 6.950 -0.647 1.00 0.00 C ATOM 745 O PRO A 55 79.992 8.113 -0.671 1.00 0.00 O ATOM 746 CB PRO A 55 77.179 6.816 -0.143 1.00 0.00 C ATOM 747 CG PRO A 55 77.016 5.537 0.615 1.00 0.00 C ATOM 748 CD PRO A 55 77.446 4.409 -0.290 1.00 0.00 C ATOM 0 HA PRO A 55 78.116 7.088 -2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.474 7.630 0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.244 7.114 -0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.620 5.551 1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 55 75.979 5.405 0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.078 3.695 0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.587 3.855 -0.669 1.00 0.00 H new ATOM 756 N SER A 56 80.396 6.012 -0.127 1.00 0.00 N ATOM 757 CA SER A 56 81.728 6.353 0.453 1.00 0.00 C ATOM 758 C SER A 56 82.880 6.103 -0.531 1.00 0.00 C ATOM 759 O SER A 56 84.030 6.256 -0.174 1.00 0.00 O ATOM 760 CB SER A 56 81.859 5.420 1.652 1.00 0.00 C ATOM 761 OG SER A 56 81.225 6.009 2.780 1.00 0.00 O ATOM 0 H SER A 56 80.147 5.024 -0.082 1.00 0.00 H new ATOM 0 HA SER A 56 81.788 7.411 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 56 81.404 4.455 1.428 1.00 0.00 H new ATOM 0 HB3 SER A 56 82.911 5.233 1.868 1.00 0.00 H new ATOM 0 HG SER A 56 81.881 6.131 3.497 1.00 0.00 H new ATOM 767 N CYS A 57 82.600 5.718 -1.751 1.00 0.00 N ATOM 768 CA CYS A 57 83.717 5.464 -2.719 1.00 0.00 C ATOM 769 C CYS A 57 84.448 6.772 -3.048 1.00 0.00 C ATOM 770 O CYS A 57 83.841 7.817 -3.187 1.00 0.00 O ATOM 771 CB CYS A 57 83.056 4.881 -3.969 1.00 0.00 C ATOM 772 SG CYS A 57 84.331 4.224 -5.081 1.00 0.00 S ATOM 0 H CYS A 57 81.660 5.569 -2.118 1.00 0.00 H new ATOM 0 HA CYS A 57 84.462 4.783 -2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 57 82.360 4.090 -3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.476 5.650 -4.479 1.00 0.00 H new ATOM 777 N GLY A 58 85.749 6.709 -3.198 1.00 0.00 N ATOM 778 CA GLY A 58 86.535 7.930 -3.549 1.00 0.00 C ATOM 779 C GLY A 58 87.092 8.622 -2.297 1.00 0.00 C ATOM 780 O GLY A 58 87.871 9.551 -2.408 1.00 0.00 O ATOM 0 H GLY A 58 86.302 5.858 -3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.357 7.657 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.901 8.626 -4.099 1.00 0.00 H new ATOM 784 N THR A 59 86.713 8.195 -1.114 1.00 0.00 N ATOM 785 CA THR A 59 87.247 8.861 0.115 1.00 0.00 C ATOM 786 C THR A 59 88.729 8.537 0.306 1.00 0.00 C ATOM 787 O THR A 59 89.239 7.555 -0.197 1.00 0.00 O ATOM 788 CB THR A 59 86.435 8.307 1.285 1.00 0.00 C ATOM 789 OG1 THR A 59 86.400 6.888 1.206 1.00 0.00 O ATOM 790 CG2 THR A 59 85.014 8.877 1.254 1.00 0.00 C ATOM 0 H THR A 59 86.066 7.424 -0.949 1.00 0.00 H new ATOM 0 HA THR A 59 87.161 9.945 0.041 1.00 0.00 H new ATOM 0 HB THR A 59 86.905 8.601 2.224 1.00 0.00 H new ATOM 0 HG1 THR A 59 85.574 6.605 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 59 84.443 8.476 2.092 1.00 0.00 H new ATOM 0 HG22 THR A 59 85.056 9.964 1.330 1.00 0.00 H new ATOM 0 HG23 THR A 59 84.530 8.597 0.318 1.00 0.00 H new ATOM 798 N CYS A 60 89.413 9.371 1.037 1.00 0.00 N ATOM 799 CA CYS A 60 90.868 9.158 1.294 1.00 0.00 C ATOM 800 C CYS A 60 91.098 8.705 2.738 1.00 0.00 C ATOM 801 O CYS A 60 90.603 9.320 3.662 1.00 0.00 O ATOM 802 CB CYS A 60 91.496 10.538 1.081 1.00 0.00 C ATOM 803 SG CYS A 60 92.275 10.602 -0.547 1.00 0.00 S ATOM 0 H CYS A 60 89.021 10.205 1.475 1.00 0.00 H new ATOM 0 HA CYS A 60 91.293 8.391 0.646 1.00 0.00 H new ATOM 0 HB2 CYS A 60 90.733 11.312 1.161 1.00 0.00 H new ATOM 0 HB3 CYS A 60 92.235 10.737 1.857 1.00 0.00 H new ATOM 808 N TRP A 61 91.856 7.656 2.947 1.00 0.00 N ATOM 809 CA TRP A 61 92.123 7.200 4.345 1.00 0.00 C ATOM 810 C TRP A 61 93.602 6.874 4.529 1.00 0.00 C ATOM 811 O TRP A 61 94.269 6.425 3.615 1.00 0.00 O ATOM 812 CB TRP A 61 91.272 5.949 4.540 1.00 0.00 C ATOM 813 CG TRP A 61 89.836 6.343 4.569 1.00 0.00 C ATOM 814 CD1 TRP A 61 89.038 6.404 3.486 1.00 0.00 C ATOM 815 CD2 TRP A 61 89.010 6.729 5.709 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.785 6.824 3.878 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.712 7.024 5.236 1.00 0.00 C ATOM 818 CE3 TRP A 61 89.252 6.852 7.090 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.690 7.424 6.089 1.00 0.00 C ATOM 820 CZ3 TRP A 61 88.220 7.255 7.958 1.00 0.00 C ATOM 821 CH2 TRP A 61 86.941 7.540 7.455 1.00 0.00 C ATOM 0 H TRP A 61 92.298 7.100 2.215 1.00 0.00 H new ATOM 0 HA TRP A 61 91.876 7.972 5.073 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.452 5.240 3.732 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.545 5.449 5.469 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.332 6.163 2.475 1.00 0.00 H new ATOM 0 HE1 TRP A 61 87.005 6.969 3.237 1.00 0.00 H new ATOM 0 HE3 TRP A 61 90.234 6.636 7.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.708 7.643 5.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 88.413 7.345 9.017 1.00 0.00 H new ATOM 0 HH2 TRP A 61 86.153 7.849 8.125 1.00 0.00 H new ATOM 832 N LYS A 62 94.113 7.095 5.707 1.00 0.00 N ATOM 833 CA LYS A 62 95.545 6.800 5.981 1.00 0.00 C ATOM 834 C LYS A 62 95.644 5.544 6.846 1.00 0.00 C ATOM 835 O LYS A 62 94.909 5.387 7.802 1.00 0.00 O ATOM 836 CB LYS A 62 96.051 8.028 6.741 1.00 0.00 C ATOM 837 CG LYS A 62 97.567 7.942 6.924 1.00 0.00 C ATOM 838 CD LYS A 62 98.051 9.178 7.685 1.00 0.00 C ATOM 839 CE LYS A 62 99.568 9.103 7.875 1.00 0.00 C ATOM 840 NZ LYS A 62 99.889 10.213 8.815 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.593 7.472 6.500 1.00 0.00 H new ATOM 0 HA LYS A 62 96.128 6.616 5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.793 8.935 6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.562 8.091 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.829 7.037 7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 62 98.060 7.881 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.787 10.082 7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.556 9.238 8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.868 8.139 8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 62 100.092 9.224 6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.913 10.229 8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.598 11.119 8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 99.381 10.067 9.711 1.00 0.00 H new ATOM 854 N VAL A 63 96.542 4.652 6.517 1.00 0.00 N ATOM 855 CA VAL A 63 96.687 3.401 7.321 1.00 0.00 C ATOM 856 C VAL A 63 97.982 3.464 8.127 1.00 0.00 C ATOM 857 O VAL A 63 99.046 3.673 7.585 1.00 0.00 O ATOM 858 CB VAL A 63 96.729 2.260 6.298 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.893 0.920 7.021 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.424 2.241 5.498 1.00 0.00 C ATOM 0 H VAL A 63 97.181 4.735 5.727 1.00 0.00 H new ATOM 0 HA VAL A 63 95.872 3.260 8.030 1.00 0.00 H new ATOM 0 HB VAL A 63 97.572 2.416 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.922 0.113 6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.821 0.926 7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 63 96.052 0.766 7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.455 1.430 4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.584 2.089 6.176 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.303 3.191 4.977 1.00 0.00 H new ATOM 870 N THR A 64 97.882 3.318 9.424 1.00 0.00 N ATOM 871 CA THR A 64 99.086 3.401 10.303 1.00 0.00 C ATOM 872 C THR A 64 99.300 2.092 11.069 1.00 0.00 C ATOM 873 O THR A 64 98.363 1.499 11.578 1.00 0.00 O ATOM 874 CB THR A 64 98.754 4.523 11.289 1.00 0.00 C ATOM 875 OG1 THR A 64 98.405 5.696 10.566 1.00 0.00 O ATOM 876 CG2 THR A 64 99.972 4.809 12.168 1.00 0.00 C ATOM 0 H THR A 64 97.006 3.143 9.916 1.00 0.00 H new ATOM 0 HA THR A 64 99.996 3.583 9.731 1.00 0.00 H new ATOM 0 HB THR A 64 97.918 4.219 11.919 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.190 6.416 11.195 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.734 5.608 12.870 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.241 3.909 12.721 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.810 5.114 11.541 1.00 0.00 H new ATOM 884 N ILE A 65 100.528 1.641 11.154 1.00 0.00 N ATOM 885 CA ILE A 65 100.816 0.366 11.884 1.00 0.00 C ATOM 886 C ILE A 65 101.700 0.641 13.119 1.00 0.00 C ATOM 887 O ILE A 65 102.278 1.704 13.234 1.00 0.00 O ATOM 888 CB ILE A 65 101.542 -0.521 10.861 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.804 0.189 10.360 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.614 -0.798 9.677 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.697 -0.815 9.629 1.00 0.00 C ATOM 0 H ILE A 65 101.344 2.101 10.749 1.00 0.00 H new ATOM 0 HA ILE A 65 99.912 -0.114 12.259 1.00 0.00 H new ATOM 0 HB ILE A 65 101.821 -1.461 11.337 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.533 1.006 9.691 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.344 0.629 11.198 1.00 0.00 H new ATOM 0 HG21 ILE A 65 101.129 -1.427 8.951 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.718 -1.309 10.029 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.334 0.144 9.206 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.595 -0.311 9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.978 -1.617 10.312 1.00 0.00 H new ATOM 0 HD13 ILE A 65 103.155 -1.234 8.781 1.00 0.00 H new ATOM 903 N PRO A 66 101.762 -0.325 14.020 1.00 0.00 N ATOM 904 CA PRO A 66 102.567 -0.169 15.272 1.00 0.00 C ATOM 905 C PRO A 66 104.059 0.046 14.988 1.00 0.00 C ATOM 906 O PRO A 66 104.764 0.635 15.787 1.00 0.00 O ATOM 907 CB PRO A 66 102.336 -1.494 16.006 1.00 0.00 C ATOM 908 CG PRO A 66 101.947 -2.451 14.935 1.00 0.00 C ATOM 909 CD PRO A 66 101.116 -1.651 13.976 1.00 0.00 C ATOM 0 HA PRO A 66 102.267 0.708 15.846 1.00 0.00 H new ATOM 0 HB2 PRO A 66 103.237 -1.823 16.524 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.552 -1.400 16.758 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.825 -2.868 14.442 1.00 0.00 H new ATOM 0 HG3 PRO A 66 101.381 -3.289 15.342 1.00 0.00 H new ATOM 0 HD2 PRO A 66 101.132 -2.077 12.973 1.00 0.00 H new ATOM 0 HD3 PRO A 66 100.072 -1.604 14.286 1.00 0.00 H new ATOM 917 N ASN A 67 104.544 -0.410 13.862 1.00 0.00 N ATOM 918 CA ASN A 67 105.994 -0.214 13.532 1.00 0.00 C ATOM 919 C ASN A 67 106.298 1.283 13.408 1.00 0.00 C ATOM 920 O ASN A 67 107.326 1.764 13.844 1.00 0.00 O ATOM 921 CB ASN A 67 106.199 -0.920 12.188 1.00 0.00 C ATOM 922 CG ASN A 67 107.659 -0.784 11.747 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.557 -0.791 12.566 1.00 0.00 O ATOM 924 ND2 ASN A 67 107.936 -0.661 10.477 1.00 0.00 N ATOM 0 H ASN A 67 104.003 -0.909 13.156 1.00 0.00 H new ATOM 0 HA ASN A 67 106.655 -0.615 14.301 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.933 -1.973 12.276 1.00 0.00 H new ATOM 0 HB3 ASN A 67 105.540 -0.487 11.435 1.00 0.00 H new ATOM 0 HD21 ASN A 67 108.905 -0.571 10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.183 -0.655 9.789 1.00 0.00 H new ATOM 931 N GLY A 68 105.391 2.005 12.811 1.00 0.00 N ATOM 932 CA GLY A 68 105.586 3.474 12.641 1.00 0.00 C ATOM 933 C GLY A 68 105.711 3.799 11.155 1.00 0.00 C ATOM 934 O GLY A 68 106.712 4.321 10.702 1.00 0.00 O ATOM 0 H GLY A 68 104.518 1.639 12.431 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.745 4.016 13.074 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.481 3.797 13.172 1.00 0.00 H new ATOM 938 N ASN A 69 104.692 3.500 10.399 1.00 0.00 N ATOM 939 CA ASN A 69 104.714 3.789 8.939 1.00 0.00 C ATOM 940 C ASN A 69 103.279 3.812 8.419 1.00 0.00 C ATOM 941 O ASN A 69 102.412 3.159 8.979 1.00 0.00 O ATOM 942 CB ASN A 69 105.505 2.640 8.314 1.00 0.00 C ATOM 943 CG ASN A 69 105.851 2.983 6.864 1.00 0.00 C ATOM 944 OD1 ASN A 69 105.982 4.140 6.516 1.00 0.00 O ATOM 945 ND2 ASN A 69 106.006 2.020 5.998 1.00 0.00 N ATOM 0 H ASN A 69 103.834 3.062 10.735 1.00 0.00 H new ATOM 0 HA ASN A 69 105.166 4.751 8.700 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.417 2.461 8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.921 1.721 8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 69 106.237 2.238 5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 69 105.896 1.049 6.290 1.00 0.00 H new ATOM 952 N SER A 70 103.006 4.555 7.375 1.00 0.00 N ATOM 953 CA SER A 70 101.608 4.601 6.864 1.00 0.00 C ATOM 954 C SER A 70 101.540 4.978 5.381 1.00 0.00 C ATOM 955 O SER A 70 102.459 5.536 4.815 1.00 0.00 O ATOM 956 CB SER A 70 100.915 5.660 7.720 1.00 0.00 C ATOM 957 OG SER A 70 101.629 6.885 7.623 1.00 0.00 O ATOM 0 H SER A 70 103.682 5.123 6.863 1.00 0.00 H new ATOM 0 HA SER A 70 101.133 3.622 6.934 1.00 0.00 H new ATOM 0 HB2 SER A 70 99.887 5.798 7.386 1.00 0.00 H new ATOM 0 HB3 SER A 70 100.871 5.333 8.759 1.00 0.00 H new ATOM 0 HG SER A 70 101.799 7.236 8.522 1.00 0.00 H new ATOM 963 N ILE A 71 100.428 4.674 4.765 1.00 0.00 N ATOM 964 CA ILE A 71 100.213 4.990 3.320 1.00 0.00 C ATOM 965 C ILE A 71 98.796 5.536 3.126 1.00 0.00 C ATOM 966 O ILE A 71 97.965 5.419 4.009 1.00 0.00 O ATOM 967 CB ILE A 71 100.367 3.656 2.576 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.374 2.625 3.119 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.791 3.131 2.749 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.313 1.428 2.170 1.00 0.00 C ATOM 0 H ILE A 71 99.640 4.208 5.214 1.00 0.00 H new ATOM 0 HA ILE A 71 100.917 5.737 2.953 1.00 0.00 H new ATOM 0 HB ILE A 71 100.163 3.821 1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.679 2.299 4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.386 3.074 3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.896 2.184 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.497 3.855 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 71 101.997 2.979 3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.606 0.693 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 71 98.988 1.761 1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.301 0.975 2.092 1.00 0.00 H new ATOM 982 N PHE A 72 98.504 6.120 1.988 1.00 0.00 N ATOM 983 CA PHE A 72 97.124 6.650 1.773 1.00 0.00 C ATOM 984 C PHE A 72 96.360 5.727 0.816 1.00 0.00 C ATOM 985 O PHE A 72 96.830 5.414 -0.256 1.00 0.00 O ATOM 986 CB PHE A 72 97.311 8.034 1.147 1.00 0.00 C ATOM 987 CG PHE A 72 98.002 8.954 2.126 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.378 9.289 3.333 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.267 9.476 1.823 1.00 0.00 C ATOM 990 CE1 PHE A 72 98.017 10.145 4.237 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.905 10.333 2.728 1.00 0.00 C ATOM 992 CZ PHE A 72 99.281 10.667 3.935 1.00 0.00 C ATOM 0 H PHE A 72 99.152 6.250 1.211 1.00 0.00 H new ATOM 0 HA PHE A 72 96.553 6.705 2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.900 7.953 0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.343 8.449 0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.403 8.887 3.567 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.749 9.217 0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.535 10.403 5.168 1.00 0.00 H new ATOM 0 HE2 PHE A 72 100.879 10.736 2.494 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.774 11.327 4.633 1.00 0.00 H new ATOM 1002 N ILE A 73 95.193 5.279 1.208 1.00 0.00 N ATOM 1003 CA ILE A 73 94.399 4.357 0.334 1.00 0.00 C ATOM 1004 C ILE A 73 93.044 4.979 -0.012 1.00 0.00 C ATOM 1005 O ILE A 73 92.326 5.433 0.860 1.00 0.00 O ATOM 1006 CB ILE A 73 94.232 3.075 1.164 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.616 2.468 1.454 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.366 2.054 0.411 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.334 2.124 0.138 1.00 0.00 C ATOM 0 H ILE A 73 94.754 5.512 2.098 1.00 0.00 H new ATOM 0 HA ILE A 73 94.891 4.158 -0.618 1.00 0.00 H new ATOM 0 HB ILE A 73 93.737 3.325 2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.216 3.172 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.507 1.570 2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.259 1.153 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.382 2.482 0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.842 1.802 -0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.312 1.696 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.740 1.403 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.460 3.030 -0.455 1.00 0.00 H new ATOM 1021 N ARG A 74 92.686 5.001 -1.273 1.00 0.00 N ATOM 1022 CA ARG A 74 91.376 5.589 -1.663 1.00 0.00 C ATOM 1023 C ARG A 74 90.369 4.457 -1.892 1.00 0.00 C ATOM 1024 O ARG A 74 90.702 3.412 -2.418 1.00 0.00 O ATOM 1025 CB ARG A 74 91.663 6.369 -2.947 1.00 0.00 C ATOM 1026 CG ARG A 74 90.485 7.288 -3.270 1.00 0.00 C ATOM 1027 CD ARG A 74 90.826 8.124 -4.506 1.00 0.00 C ATOM 1028 NE ARG A 74 89.713 9.109 -4.628 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.853 10.159 -5.389 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.894 10.935 -5.247 1.00 0.00 N ATOM 1031 NH2 ARG A 74 88.953 10.435 -6.292 1.00 0.00 N1+ ATOM 0 H ARG A 74 93.246 4.637 -2.044 1.00 0.00 H new ATOM 0 HA ARG A 74 90.946 6.242 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.573 6.957 -2.830 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.834 5.678 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.587 6.698 -3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.273 7.939 -2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.786 8.627 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 74 90.899 7.500 -5.396 1.00 0.00 H new ATOM 0 HE ARG A 74 88.843 8.962 -4.117 1.00 0.00 H new ATOM 0 HH11 ARG A 74 91.598 10.720 -4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 74 91.003 11.756 -5.842 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.140 9.830 -6.403 1.00 0.00 H new ATOM 0 HH22 ARG A 74 89.063 11.256 -6.887 1.00 0.00 H new ATOM 1045 N GLY A 75 89.151 4.650 -1.463 1.00 0.00 N ATOM 1046 CA GLY A 75 88.115 3.583 -1.606 1.00 0.00 C ATOM 1047 C GLY A 75 87.888 3.213 -3.071 1.00 0.00 C ATOM 1048 O GLY A 75 88.007 4.025 -3.966 1.00 0.00 O ATOM 0 H GLY A 75 88.826 5.507 -1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.424 2.698 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.178 3.924 -1.167 1.00 0.00 H new ATOM 1052 N VAL A 76 87.533 1.977 -3.300 1.00 0.00 N ATOM 1053 CA VAL A 76 87.253 1.480 -4.678 1.00 0.00 C ATOM 1054 C VAL A 76 86.377 0.207 -4.604 1.00 0.00 C ATOM 1055 O VAL A 76 85.473 0.030 -5.392 1.00 0.00 O ATOM 1056 CB VAL A 76 88.633 1.210 -5.321 1.00 0.00 C ATOM 1057 CG1 VAL A 76 89.231 -0.117 -4.832 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.476 1.162 -6.848 1.00 0.00 C ATOM 0 H VAL A 76 87.423 1.273 -2.570 1.00 0.00 H new ATOM 0 HA VAL A 76 86.697 2.199 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 76 89.309 2.015 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 76 90.201 -0.275 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.355 -0.083 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.562 -0.936 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.446 0.972 -7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.784 0.364 -7.118 1.00 0.00 H new ATOM 0 HG23 VAL A 76 88.087 2.116 -7.204 1.00 0.00 H new ATOM 1068 N ASP A 77 86.626 -0.666 -3.653 1.00 0.00 N ATOM 1069 CA ASP A 77 85.800 -1.907 -3.515 1.00 0.00 C ATOM 1070 C ASP A 77 85.457 -2.132 -2.039 1.00 0.00 C ATOM 1071 O ASP A 77 85.964 -1.451 -1.169 1.00 0.00 O ATOM 1072 CB ASP A 77 86.665 -3.045 -4.048 1.00 0.00 C ATOM 1073 CG ASP A 77 85.755 -4.134 -4.620 1.00 0.00 C ATOM 1074 OD1 ASP A 77 85.071 -4.777 -3.840 1.00 0.00 O ATOM 1075 OD2 ASP A 77 85.747 -4.299 -5.829 1.00 0.00 O1- ATOM 0 H ASP A 77 87.371 -0.569 -2.963 1.00 0.00 H new ATOM 0 HA ASP A 77 84.860 -1.840 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 77 87.341 -2.675 -4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 77 87.285 -3.453 -3.250 1.00 0.00 H new ATOM 1080 N SER A 78 84.577 -3.061 -1.751 1.00 0.00 N ATOM 1081 CA SER A 78 84.175 -3.312 -0.330 1.00 0.00 C ATOM 1082 C SER A 78 84.981 -4.456 0.297 1.00 0.00 C ATOM 1083 O SER A 78 85.565 -5.275 -0.386 1.00 0.00 O ATOM 1084 CB SER A 78 82.690 -3.677 -0.407 1.00 0.00 C ATOM 1085 OG SER A 78 82.303 -4.351 0.786 1.00 0.00 O ATOM 0 H SER A 78 84.119 -3.657 -2.440 1.00 0.00 H new ATOM 0 HA SER A 78 84.362 -2.442 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 78 82.090 -2.777 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 78 82.506 -4.313 -1.273 1.00 0.00 H new ATOM 0 HG SER A 78 81.352 -4.583 0.737 1.00 0.00 H new ATOM 1091 N GLY A 79 85.006 -4.502 1.608 1.00 0.00 N ATOM 1092 CA GLY A 79 85.758 -5.571 2.321 1.00 0.00 C ATOM 1093 C GLY A 79 84.855 -6.221 3.374 1.00 0.00 C ATOM 1094 O GLY A 79 83.987 -5.585 3.941 1.00 0.00 O ATOM 0 H GLY A 79 84.531 -3.835 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 79 86.104 -6.322 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.644 -5.151 2.797 1.00 0.00 H new ATOM 1098 N ARG A 80 85.066 -7.480 3.641 1.00 0.00 N ATOM 1099 CA ARG A 80 84.242 -8.198 4.666 1.00 0.00 C ATOM 1100 C ARG A 80 84.390 -7.532 6.040 1.00 0.00 C ATOM 1101 O ARG A 80 83.463 -7.496 6.828 1.00 0.00 O ATOM 1102 CB ARG A 80 84.809 -9.618 4.701 1.00 0.00 C ATOM 1103 CG ARG A 80 84.453 -10.342 3.402 1.00 0.00 C ATOM 1104 CD ARG A 80 85.039 -11.755 3.428 1.00 0.00 C ATOM 1105 NE ARG A 80 84.639 -12.362 2.128 1.00 0.00 N ATOM 1106 CZ ARG A 80 85.542 -12.902 1.355 1.00 0.00 C ATOM 1107 NH1 ARG A 80 86.212 -12.159 0.517 1.00 0.00 N ATOM 1108 NH2 ARG A 80 85.775 -14.184 1.421 1.00 0.00 N1+ ATOM 0 H ARG A 80 85.781 -8.052 3.190 1.00 0.00 H new ATOM 0 HA ARG A 80 83.180 -8.182 4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.891 -9.586 4.827 1.00 0.00 H new ATOM 0 HB3 ARG A 80 84.405 -10.161 5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 80 83.370 -10.388 3.284 1.00 0.00 H new ATOM 0 HG3 ARG A 80 84.844 -9.790 2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 80 86.123 -11.731 3.535 1.00 0.00 H new ATOM 0 HD3 ARG A 80 84.648 -12.329 4.268 1.00 0.00 H new ATOM 0 HE ARG A 80 83.660 -12.356 1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 80 86.030 -11.157 0.466 1.00 0.00 H new ATOM 0 HH12 ARG A 80 86.918 -12.581 -0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 80 85.252 -14.764 2.076 1.00 0.00 H new ATOM 0 HH22 ARG A 80 86.480 -14.606 0.817 1.00 0.00 H new ATOM 1122 N GLY A 81 85.555 -7.010 6.326 1.00 0.00 N ATOM 1123 CA GLY A 81 85.779 -6.347 7.648 1.00 0.00 C ATOM 1124 C GLY A 81 87.256 -5.991 7.812 1.00 0.00 C ATOM 1125 O GLY A 81 87.998 -6.678 8.489 1.00 0.00 O ATOM 0 H GLY A 81 86.362 -7.014 5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 81 85.169 -5.446 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.465 -7.010 8.454 1.00 0.00 H new ATOM 1129 N GLY A 82 87.679 -4.914 7.205 1.00 0.00 N ATOM 1130 CA GLY A 82 89.105 -4.496 7.330 1.00 0.00 C ATOM 1131 C GLY A 82 89.572 -3.861 6.024 1.00 0.00 C ATOM 1132 O GLY A 82 88.899 -3.930 5.014 1.00 0.00 O ATOM 0 H GLY A 82 87.098 -4.306 6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.215 -3.787 8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.727 -5.359 7.569 1.00 0.00 H new ATOM 1136 N PHE A 83 90.724 -3.244 6.038 1.00 0.00 N ATOM 1137 CA PHE A 83 91.259 -2.597 4.805 1.00 0.00 C ATOM 1138 C PHE A 83 92.131 -3.589 4.036 1.00 0.00 C ATOM 1139 O PHE A 83 93.131 -4.065 4.541 1.00 0.00 O ATOM 1140 CB PHE A 83 92.129 -1.441 5.314 1.00 0.00 C ATOM 1141 CG PHE A 83 91.275 -0.338 5.903 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.554 -0.550 7.088 1.00 0.00 C ATOM 1143 CD2 PHE A 83 91.216 0.906 5.265 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.775 0.481 7.627 1.00 0.00 C ATOM 1145 CE2 PHE A 83 90.438 1.937 5.806 1.00 0.00 C ATOM 1146 CZ PHE A 83 89.717 1.724 6.986 1.00 0.00 C ATOM 0 H PHE A 83 91.323 -3.160 6.860 1.00 0.00 H new ATOM 0 HA PHE A 83 90.465 -2.262 4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.825 -1.809 6.068 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.728 -1.044 4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 83 90.600 -1.508 7.584 1.00 0.00 H new ATOM 0 HD2 PHE A 83 91.772 1.071 4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 83 89.218 0.317 8.538 1.00 0.00 H new ATOM 0 HE2 PHE A 83 90.395 2.897 5.312 1.00 0.00 H new ATOM 0 HZ PHE A 83 89.116 2.519 7.402 1.00 0.00 H new ATOM 1156 N ASN A 84 91.774 -3.889 2.811 1.00 0.00 N ATOM 1157 CA ASN A 84 92.602 -4.833 2.005 1.00 0.00 C ATOM 1158 C ASN A 84 93.208 -4.067 0.828 1.00 0.00 C ATOM 1159 O ASN A 84 92.506 -3.353 0.143 1.00 0.00 O ATOM 1160 CB ASN A 84 91.628 -5.905 1.510 1.00 0.00 C ATOM 1161 CG ASN A 84 91.766 -7.166 2.365 1.00 0.00 C ATOM 1162 OD1 ASN A 84 91.319 -7.203 3.495 1.00 0.00 O ATOM 1163 ND2 ASN A 84 92.368 -8.210 1.866 1.00 0.00 N ATOM 0 H ASN A 84 90.948 -3.522 2.338 1.00 0.00 H new ATOM 0 HA ASN A 84 93.419 -5.278 2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.605 -5.531 1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 84 91.831 -6.139 0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.464 -9.058 2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 84 92.743 -8.178 0.918 1.00 0.00 H new ATOM 1170 N VAL A 85 94.492 -4.175 0.595 1.00 0.00 N ATOM 1171 CA VAL A 85 95.094 -3.403 -0.537 1.00 0.00 C ATOM 1172 C VAL A 85 96.044 -4.262 -1.370 1.00 0.00 C ATOM 1173 O VAL A 85 96.290 -5.416 -1.065 1.00 0.00 O ATOM 1174 CB VAL A 85 95.862 -2.253 0.129 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.887 -1.364 0.916 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.928 -2.818 1.081 1.00 0.00 C ATOM 0 H VAL A 85 95.141 -4.754 1.129 1.00 0.00 H new ATOM 0 HA VAL A 85 94.325 -3.052 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 85 96.350 -1.658 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.437 -0.549 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.140 -0.953 0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.391 -1.958 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.469 -1.996 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.446 -3.421 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.626 -3.438 0.519 1.00 0.00 H new ATOM 1186 N ASN A 86 96.573 -3.701 -2.429 1.00 0.00 N ATOM 1187 CA ASN A 86 97.515 -4.474 -3.297 1.00 0.00 C ATOM 1188 C ASN A 86 98.705 -4.978 -2.465 1.00 0.00 C ATOM 1189 O ASN A 86 99.063 -4.365 -1.478 1.00 0.00 O ATOM 1190 CB ASN A 86 98.018 -3.473 -4.343 1.00 0.00 C ATOM 1191 CG ASN A 86 96.872 -3.016 -5.245 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.729 -3.377 -5.039 1.00 0.00 O ATOM 1193 ND2 ASN A 86 97.136 -2.224 -6.248 1.00 0.00 N ATOM 0 H ASN A 86 96.394 -2.743 -2.730 1.00 0.00 H new ATOM 0 HA ASN A 86 97.029 -5.339 -3.748 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.462 -2.611 -3.845 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.802 -3.932 -4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.384 -1.907 -6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 86 98.095 -1.922 -6.420 1.00 0.00 H new ATOM 1200 N PRO A 87 99.294 -6.073 -2.888 1.00 0.00 N ATOM 1201 CA PRO A 87 100.460 -6.629 -2.157 1.00 0.00 C ATOM 1202 C PRO A 87 101.640 -5.659 -2.219 1.00 0.00 C ATOM 1203 O PRO A 87 102.506 -5.690 -1.363 1.00 0.00 O ATOM 1204 CB PRO A 87 100.759 -7.939 -2.885 1.00 0.00 C ATOM 1205 CG PRO A 87 100.182 -7.748 -4.248 1.00 0.00 C ATOM 1206 CD PRO A 87 98.960 -6.889 -4.068 1.00 0.00 C ATOM 0 HA PRO A 87 100.269 -6.789 -1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.831 -8.132 -2.931 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.304 -8.789 -2.376 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.901 -7.268 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.922 -8.706 -4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.770 -6.270 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 87 98.066 -7.490 -3.902 1.00 0.00 H new ATOM 1214 N THR A 88 101.682 -4.779 -3.192 1.00 0.00 N ATOM 1215 CA THR A 88 102.804 -3.795 -3.257 1.00 0.00 C ATOM 1216 C THR A 88 102.605 -2.749 -2.158 1.00 0.00 C ATOM 1217 O THR A 88 103.541 -2.363 -1.487 1.00 0.00 O ATOM 1218 CB THR A 88 102.718 -3.164 -4.644 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.858 -4.175 -5.633 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.824 -2.120 -4.816 1.00 0.00 C ATOM 0 H THR A 88 100.991 -4.702 -3.938 1.00 0.00 H new ATOM 0 HA THR A 88 103.782 -4.252 -3.104 1.00 0.00 H new ATOM 0 HB THR A 88 101.750 -2.676 -4.755 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.801 -3.771 -6.524 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.754 -1.676 -5.809 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.710 -1.342 -4.061 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.797 -2.598 -4.700 1.00 0.00 H new ATOM 1228 N ALA A 89 101.389 -2.312 -1.952 1.00 0.00 N ATOM 1229 CA ALA A 89 101.127 -1.313 -0.873 1.00 0.00 C ATOM 1230 C ALA A 89 101.385 -1.975 0.475 1.00 0.00 C ATOM 1231 O ALA A 89 101.946 -1.380 1.376 1.00 0.00 O ATOM 1232 CB ALA A 89 99.653 -0.925 -1.018 1.00 0.00 C ATOM 0 H ALA A 89 100.568 -2.603 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 89 101.767 -0.433 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.393 -0.192 -0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.485 -0.495 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 89 99.030 -1.811 -0.898 1.00 0.00 H new ATOM 1238 N PHE A 90 100.990 -3.211 0.609 1.00 0.00 N ATOM 1239 CA PHE A 90 101.221 -3.942 1.895 1.00 0.00 C ATOM 1240 C PHE A 90 102.721 -4.013 2.199 1.00 0.00 C ATOM 1241 O PHE A 90 103.154 -3.706 3.293 1.00 0.00 O ATOM 1242 CB PHE A 90 100.668 -5.351 1.664 1.00 0.00 C ATOM 1243 CG PHE A 90 100.629 -6.096 2.978 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.741 -6.832 3.405 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.476 -6.048 3.772 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.699 -7.518 4.625 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.435 -6.735 4.991 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.548 -7.470 5.417 1.00 0.00 C ATOM 0 H PHE A 90 100.516 -3.750 -0.116 1.00 0.00 H new ATOM 0 HA PHE A 90 100.740 -3.445 2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.668 -5.295 1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.292 -5.886 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.631 -6.871 2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.618 -5.480 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.557 -8.085 4.955 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.546 -6.698 5.602 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.517 -8.000 6.358 1.00 0.00 H new ATOM 1258 N THR A 91 103.513 -4.433 1.244 1.00 0.00 N ATOM 1259 CA THR A 91 104.988 -4.547 1.476 1.00 0.00 C ATOM 1260 C THR A 91 105.586 -3.188 1.842 1.00 0.00 C ATOM 1261 O THR A 91 106.504 -3.096 2.627 1.00 0.00 O ATOM 1262 CB THR A 91 105.568 -5.041 0.152 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.992 -4.302 -0.920 1.00 0.00 O ATOM 1264 CG2 THR A 91 105.260 -6.531 0.000 1.00 0.00 C ATOM 0 H THR A 91 103.202 -4.703 0.311 1.00 0.00 H new ATOM 0 HA THR A 91 105.214 -5.223 2.301 1.00 0.00 H new ATOM 0 HB THR A 91 106.648 -4.896 0.136 1.00 0.00 H new ATOM 0 HG1 THR A 91 104.549 -3.503 -0.566 1.00 0.00 H new ATOM 0 HG21 THR A 91 105.670 -6.893 -0.943 1.00 0.00 H new ATOM 0 HG22 THR A 91 105.709 -7.082 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 91 104.181 -6.682 0.008 1.00 0.00 H new ATOM 1272 N LYS A 92 105.079 -2.135 1.263 1.00 0.00 N ATOM 1273 CA LYS A 92 105.626 -0.782 1.582 1.00 0.00 C ATOM 1274 C LYS A 92 105.253 -0.381 3.009 1.00 0.00 C ATOM 1275 O LYS A 92 106.043 0.207 3.725 1.00 0.00 O ATOM 1276 CB LYS A 92 104.981 0.172 0.581 1.00 0.00 C ATOM 1277 CG LYS A 92 105.532 -0.084 -0.824 1.00 0.00 C ATOM 1278 CD LYS A 92 104.870 0.884 -1.809 1.00 0.00 C ATOM 1279 CE LYS A 92 105.412 0.639 -3.220 1.00 0.00 C ATOM 1280 NZ LYS A 92 106.711 1.367 -3.261 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.315 -2.150 0.587 1.00 0.00 H new ATOM 0 HA LYS A 92 106.714 -0.763 1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 92 103.899 0.038 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.176 1.204 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.613 0.052 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.337 -1.114 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 92 103.789 0.748 -1.796 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.065 1.913 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 92 105.549 -0.425 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 92 104.725 1.014 -3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 106.612 2.222 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 106.988 1.637 -2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 107.441 0.751 -3.671 1.00 0.00 H new ATOM 1294 N LEU A 93 104.051 -0.684 3.416 1.00 0.00 N ATOM 1295 CA LEU A 93 103.605 -0.312 4.793 1.00 0.00 C ATOM 1296 C LEU A 93 104.319 -1.154 5.860 1.00 0.00 C ATOM 1297 O LEU A 93 104.758 -0.637 6.871 1.00 0.00 O ATOM 1298 CB LEU A 93 102.096 -0.578 4.799 1.00 0.00 C ATOM 1299 CG LEU A 93 101.507 -0.318 6.191 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.686 1.157 6.567 1.00 0.00 C ATOM 1301 CD2 LEU A 93 100.018 -0.674 6.177 1.00 0.00 C ATOM 0 H LEU A 93 103.355 -1.174 2.854 1.00 0.00 H new ATOM 0 HA LEU A 93 103.841 0.725 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.606 0.062 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.902 -1.609 4.503 1.00 0.00 H new ATOM 0 HG LEU A 93 102.024 -0.933 6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.265 1.334 7.557 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.748 1.404 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.173 1.783 5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.591 -0.492 7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.504 -0.058 5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.898 -1.726 5.918 1.00 0.00 H new ATOM 1313 N VAL A 94 104.400 -2.446 5.667 1.00 0.00 N ATOM 1314 CA VAL A 94 105.043 -3.325 6.702 1.00 0.00 C ATOM 1315 C VAL A 94 106.469 -3.718 6.303 1.00 0.00 C ATOM 1316 O VAL A 94 107.354 -3.792 7.134 1.00 0.00 O ATOM 1317 CB VAL A 94 104.147 -4.569 6.771 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.705 -5.561 7.798 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.726 -4.163 7.183 1.00 0.00 C ATOM 0 H VAL A 94 104.051 -2.933 4.842 1.00 0.00 H new ATOM 0 HA VAL A 94 105.129 -2.814 7.661 1.00 0.00 H new ATOM 0 HB VAL A 94 104.123 -5.040 5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 94 104.063 -6.441 7.840 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.711 -5.860 7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.738 -5.088 8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 94 102.094 -5.050 7.231 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.754 -3.684 8.162 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.320 -3.466 6.450 1.00 0.00 H new ATOM 1329 N GLY A 95 106.695 -3.971 5.044 1.00 0.00 N ATOM 1330 CA GLY A 95 108.056 -4.363 4.581 1.00 0.00 C ATOM 1331 C GLY A 95 108.041 -5.801 4.050 1.00 0.00 C ATOM 1332 O GLY A 95 108.931 -6.204 3.323 1.00 0.00 O ATOM 0 H GLY A 95 105.989 -3.923 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.392 -3.682 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.766 -4.279 5.404 1.00 0.00 H new ATOM 1336 N SER A 96 107.045 -6.579 4.402 1.00 0.00 N ATOM 1337 CA SER A 96 106.987 -7.989 3.911 1.00 0.00 C ATOM 1338 C SER A 96 105.554 -8.526 3.988 1.00 0.00 C ATOM 1339 O SER A 96 104.773 -8.108 4.821 1.00 0.00 O ATOM 1340 CB SER A 96 107.897 -8.767 4.858 1.00 0.00 C ATOM 1341 OG SER A 96 107.488 -8.531 6.200 1.00 0.00 O ATOM 0 H SER A 96 106.273 -6.298 5.006 1.00 0.00 H new ATOM 0 HA SER A 96 107.300 -8.076 2.870 1.00 0.00 H new ATOM 0 HB2 SER A 96 107.850 -9.832 4.633 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.933 -8.458 4.721 1.00 0.00 H new ATOM 0 HG SER A 96 108.069 -9.030 6.812 1.00 0.00 H new ATOM 1347 N THR A 97 105.212 -9.457 3.131 1.00 0.00 N ATOM 1348 CA THR A 97 103.832 -10.039 3.156 1.00 0.00 C ATOM 1349 C THR A 97 103.791 -11.317 4.008 1.00 0.00 C ATOM 1350 O THR A 97 102.802 -12.023 4.032 1.00 0.00 O ATOM 1351 CB THR A 97 103.504 -10.356 1.693 1.00 0.00 C ATOM 1352 OG1 THR A 97 104.453 -11.283 1.188 1.00 0.00 O ATOM 1353 CG2 THR A 97 103.549 -9.070 0.864 1.00 0.00 C ATOM 0 H THR A 97 105.829 -9.840 2.414 1.00 0.00 H new ATOM 0 HA THR A 97 103.111 -9.351 3.597 1.00 0.00 H new ATOM 0 HB THR A 97 102.505 -10.788 1.630 1.00 0.00 H new ATOM 0 HG1 THR A 97 104.244 -11.488 0.253 1.00 0.00 H new ATOM 0 HG21 THR A 97 103.315 -9.299 -0.176 1.00 0.00 H new ATOM 0 HG22 THR A 97 102.818 -8.361 1.253 1.00 0.00 H new ATOM 0 HG23 THR A 97 104.546 -8.633 0.924 1.00 0.00 H new ATOM 1361 N GLU A 98 104.857 -11.613 4.704 1.00 0.00 N ATOM 1362 CA GLU A 98 104.898 -12.839 5.562 1.00 0.00 C ATOM 1363 C GLU A 98 103.799 -12.786 6.629 1.00 0.00 C ATOM 1364 O GLU A 98 103.182 -13.785 6.946 1.00 0.00 O ATOM 1365 CB GLU A 98 106.279 -12.826 6.220 1.00 0.00 C ATOM 1366 CG GLU A 98 106.448 -14.066 7.104 1.00 0.00 C ATOM 1367 CD GLU A 98 107.834 -14.062 7.769 1.00 0.00 C ATOM 1368 OE1 GLU A 98 108.660 -13.242 7.395 1.00 0.00 O1- ATOM 1369 OE2 GLU A 98 108.045 -14.885 8.644 1.00 0.00 O ATOM 0 H GLU A 98 105.710 -11.054 4.716 1.00 0.00 H new ATOM 0 HA GLU A 98 104.732 -13.746 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 98 107.055 -12.805 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.397 -11.923 6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 98 105.671 -14.085 7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 98 106.328 -14.968 6.504 1.00 0.00 H new ATOM 1376 N ALA A 99 103.575 -11.632 7.201 1.00 0.00 N ATOM 1377 CA ALA A 99 102.542 -11.508 8.274 1.00 0.00 C ATOM 1378 C ALA A 99 101.161 -11.915 7.753 1.00 0.00 C ATOM 1379 O ALA A 99 100.393 -12.552 8.449 1.00 0.00 O ATOM 1380 CB ALA A 99 102.544 -10.030 8.668 1.00 0.00 C ATOM 0 H ALA A 99 104.064 -10.767 6.971 1.00 0.00 H new ATOM 0 HA ALA A 99 102.763 -12.160 9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 99 101.808 -9.862 9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 99 103.533 -9.752 9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.293 -9.422 7.799 1.00 0.00 H new ATOM 1386 N GLY A 100 100.836 -11.541 6.543 1.00 0.00 N ATOM 1387 CA GLY A 100 99.498 -11.892 5.982 1.00 0.00 C ATOM 1388 C GLY A 100 98.523 -10.761 6.307 1.00 0.00 C ATOM 1389 O GLY A 100 97.959 -10.139 5.427 1.00 0.00 O ATOM 0 H GLY A 100 101.440 -11.007 5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.565 -12.036 4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.144 -12.831 6.407 1.00 0.00 H new ATOM 1393 N ARG A 101 98.339 -10.485 7.573 1.00 0.00 N ATOM 1394 CA ARG A 101 97.422 -9.387 7.982 1.00 0.00 C ATOM 1395 C ARG A 101 97.898 -8.773 9.307 1.00 0.00 C ATOM 1396 O ARG A 101 98.594 -9.412 10.074 1.00 0.00 O ATOM 1397 CB ARG A 101 96.047 -10.047 8.130 1.00 0.00 C ATOM 1398 CG ARG A 101 96.026 -10.996 9.334 1.00 0.00 C ATOM 1399 CD ARG A 101 94.642 -11.627 9.441 1.00 0.00 C ATOM 1400 NE ARG A 101 94.715 -12.525 10.627 1.00 0.00 N ATOM 1401 CZ ARG A 101 94.526 -12.040 11.825 1.00 0.00 C ATOM 1402 NH1 ARG A 101 93.315 -11.913 12.295 1.00 0.00 N1+ ATOM 1403 NH2 ARG A 101 95.549 -11.681 12.553 1.00 0.00 N ATOM 0 H ARG A 101 98.789 -10.979 8.344 1.00 0.00 H new ATOM 0 HA ARG A 101 97.391 -8.573 7.258 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.282 -9.280 8.252 1.00 0.00 H new ATOM 0 HB3 ARG A 101 95.804 -10.599 7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 101 96.785 -11.770 9.218 1.00 0.00 H new ATOM 0 HG3 ARG A 101 96.264 -10.451 10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 101 93.871 -10.867 9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 101 94.393 -12.185 8.539 1.00 0.00 H new ATOM 0 HE ARG A 101 94.912 -13.518 10.504 1.00 0.00 H new ATOM 0 HH11 ARG A 101 92.515 -12.193 11.727 1.00 0.00 H new ATOM 0 HH12 ARG A 101 93.168 -11.534 13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 101 96.496 -11.779 12.186 1.00 0.00 H new ATOM 0 HH22 ARG A 101 95.401 -11.302 13.488 1.00 0.00 H new ATOM 1417 N VAL A 102 97.520 -7.552 9.584 1.00 0.00 N ATOM 1418 CA VAL A 102 97.943 -6.914 10.867 1.00 0.00 C ATOM 1419 C VAL A 102 96.716 -6.351 11.594 1.00 0.00 C ATOM 1420 O VAL A 102 95.939 -5.611 11.028 1.00 0.00 O ATOM 1421 CB VAL A 102 98.907 -5.793 10.460 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.407 -5.065 11.712 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.103 -6.391 9.703 1.00 0.00 C ATOM 0 H VAL A 102 96.939 -6.971 8.980 1.00 0.00 H new ATOM 0 HA VAL A 102 98.420 -7.618 11.549 1.00 0.00 H new ATOM 0 HB VAL A 102 98.386 -5.087 9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.092 -4.269 11.421 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.559 -4.637 12.247 1.00 0.00 H new ATOM 0 HG13 VAL A 102 99.926 -5.771 12.360 1.00 0.00 H new ATOM 0 HG21 VAL A 102 100.787 -5.593 9.415 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.624 -7.100 10.347 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.748 -6.905 8.810 1.00 0.00 H new ATOM 1433 N ASP A 103 96.528 -6.728 12.832 1.00 0.00 N ATOM 1434 CA ASP A 103 95.334 -6.244 13.593 1.00 0.00 C ATOM 1435 C ASP A 103 95.628 -4.939 14.341 1.00 0.00 C ATOM 1436 O ASP A 103 96.758 -4.509 14.457 1.00 0.00 O ATOM 1437 CB ASP A 103 95.007 -7.366 14.579 1.00 0.00 C ATOM 1438 CG ASP A 103 94.428 -8.573 13.830 1.00 0.00 C ATOM 1439 OD1 ASP A 103 93.910 -8.385 12.740 1.00 0.00 O ATOM 1440 OD2 ASP A 103 94.510 -9.667 14.364 1.00 0.00 O1- ATOM 0 H ASP A 103 97.149 -7.350 13.350 1.00 0.00 H new ATOM 0 HA ASP A 103 94.502 -6.023 12.924 1.00 0.00 H new ATOM 0 HB2 ASP A 103 95.907 -7.660 15.119 1.00 0.00 H new ATOM 0 HB3 ASP A 103 94.292 -7.012 15.321 1.00 0.00 H new ATOM 1445 N ASN A 104 94.594 -4.316 14.853 1.00 0.00 N ATOM 1446 CA ASN A 104 94.751 -3.034 15.616 1.00 0.00 C ATOM 1447 C ASN A 104 95.379 -1.949 14.741 1.00 0.00 C ATOM 1448 O ASN A 104 96.202 -1.171 15.188 1.00 0.00 O ATOM 1449 CB ASN A 104 95.653 -3.355 16.812 1.00 0.00 C ATOM 1450 CG ASN A 104 95.489 -2.270 17.877 1.00 0.00 C ATOM 1451 OD1 ASN A 104 94.384 -1.866 18.184 1.00 0.00 O ATOM 1452 ND2 ASN A 104 96.547 -1.776 18.459 1.00 0.00 N ATOM 0 H ASN A 104 93.632 -4.646 14.774 1.00 0.00 H new ATOM 0 HA ASN A 104 93.784 -2.651 15.941 1.00 0.00 H new ATOM 0 HB2 ASN A 104 95.393 -4.329 17.226 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.693 -3.412 16.492 1.00 0.00 H new ATOM 0 HD21 ASN A 104 96.446 -1.052 19.170 1.00 0.00 H new ATOM 0 HD22 ASN A 104 97.475 -2.114 18.203 1.00 0.00 H new ATOM 1459 N VAL A 105 94.979 -1.890 13.501 1.00 0.00 N ATOM 1460 CA VAL A 105 95.530 -0.849 12.583 1.00 0.00 C ATOM 1461 C VAL A 105 94.733 0.445 12.742 1.00 0.00 C ATOM 1462 O VAL A 105 93.519 0.433 12.687 1.00 0.00 O ATOM 1463 CB VAL A 105 95.355 -1.412 11.172 1.00 0.00 C ATOM 1464 CG1 VAL A 105 95.875 -0.400 10.145 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.129 -2.732 11.039 1.00 0.00 C ATOM 0 H VAL A 105 94.293 -2.518 13.081 1.00 0.00 H new ATOM 0 HA VAL A 105 96.575 -0.622 12.795 1.00 0.00 H new ATOM 0 HB VAL A 105 94.297 -1.599 10.989 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.749 -0.804 9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.314 0.530 10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 105 96.932 -0.206 10.328 1.00 0.00 H new ATOM 0 HG21 VAL A 105 96.001 -3.129 10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.188 -2.553 11.227 1.00 0.00 H new ATOM 0 HG23 VAL A 105 95.748 -3.452 11.764 1.00 0.00 H new ATOM 1475 N ASN A 106 95.392 1.561 12.936 1.00 0.00 N ATOM 1476 CA ASN A 106 94.627 2.831 13.087 1.00 0.00 C ATOM 1477 C ASN A 106 94.397 3.447 11.708 1.00 0.00 C ATOM 1478 O ASN A 106 95.263 3.433 10.854 1.00 0.00 O ATOM 1479 CB ASN A 106 95.462 3.737 13.989 1.00 0.00 C ATOM 1480 CG ASN A 106 95.556 3.118 15.384 1.00 0.00 C ATOM 1481 OD1 ASN A 106 96.634 2.952 15.918 1.00 0.00 O ATOM 1482 ND2 ASN A 106 94.461 2.765 16.000 1.00 0.00 N ATOM 0 H ASN A 106 96.407 1.645 12.995 1.00 0.00 H new ATOM 0 HA ASN A 106 93.645 2.675 13.533 1.00 0.00 H new ATOM 0 HB2 ASN A 106 96.459 3.867 13.569 1.00 0.00 H new ATOM 0 HB3 ASN A 106 95.009 4.727 14.048 1.00 0.00 H new ATOM 0 HD21 ASN A 106 94.510 2.350 16.930 1.00 0.00 H new ATOM 0 HD22 ASN A 106 93.556 2.905 15.551 1.00 0.00 H new ATOM 1489 N TYR A 107 93.219 3.962 11.488 1.00 0.00 N ATOM 1490 CA TYR A 107 92.888 4.562 10.159 1.00 0.00 C ATOM 1491 C TYR A 107 92.217 5.925 10.330 1.00 0.00 C ATOM 1492 O TYR A 107 91.415 6.128 11.222 1.00 0.00 O ATOM 1493 CB TYR A 107 91.914 3.570 9.500 1.00 0.00 C ATOM 1494 CG TYR A 107 90.755 3.281 10.433 1.00 0.00 C ATOM 1495 CD1 TYR A 107 90.843 2.221 11.344 1.00 0.00 C ATOM 1496 CD2 TYR A 107 89.604 4.077 10.396 1.00 0.00 C ATOM 1497 CE1 TYR A 107 89.782 1.955 12.216 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.540 3.810 11.268 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.630 2.749 12.178 1.00 0.00 C ATOM 1500 OH TYR A 107 87.585 2.488 13.041 1.00 0.00 O ATOM 0 H TYR A 107 92.465 3.994 12.174 1.00 0.00 H new ATOM 0 HA TYR A 107 93.782 4.724 9.557 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.542 3.982 8.562 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.435 2.644 9.257 1.00 0.00 H new ATOM 0 HD1 TYR A 107 91.732 1.608 11.373 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.536 4.896 9.696 1.00 0.00 H new ATOM 0 HE1 TYR A 107 89.852 1.137 12.918 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.651 4.422 11.238 1.00 0.00 H new ATOM 0 HH TYR A 107 86.863 3.132 12.885 1.00 0.00 H new ATOM 1510 N VAL A 108 92.554 6.862 9.480 1.00 0.00 N ATOM 1511 CA VAL A 108 91.953 8.230 9.585 1.00 0.00 C ATOM 1512 C VAL A 108 91.719 8.835 8.196 1.00 0.00 C ATOM 1513 O VAL A 108 92.535 8.703 7.305 1.00 0.00 O ATOM 1514 CB VAL A 108 92.972 9.067 10.369 1.00 0.00 C ATOM 1515 CG1 VAL A 108 93.040 8.563 11.811 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.362 8.954 9.726 1.00 0.00 C ATOM 0 H VAL A 108 93.220 6.740 8.717 1.00 0.00 H new ATOM 0 HA VAL A 108 90.982 8.201 10.080 1.00 0.00 H new ATOM 0 HB VAL A 108 92.658 10.111 10.354 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.764 9.156 12.370 1.00 0.00 H new ATOM 0 HG12 VAL A 108 92.058 8.656 12.276 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.347 7.517 11.817 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.075 9.553 10.293 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.681 7.912 9.729 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.319 9.317 8.699 1.00 0.00 H new ATOM 1526 N GLN A 109 90.611 9.506 8.019 1.00 0.00 N ATOM 1527 CA GLN A 109 90.306 10.143 6.699 1.00 0.00 C ATOM 1528 C GLN A 109 91.112 11.430 6.533 1.00 0.00 C ATOM 1529 O GLN A 109 91.262 12.204 7.459 1.00 0.00 O ATOM 1530 CB GLN A 109 88.814 10.464 6.749 1.00 0.00 C ATOM 1531 CG GLN A 109 88.350 10.990 5.392 1.00 0.00 C ATOM 1532 CD GLN A 109 86.839 11.237 5.435 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.132 10.619 6.207 1.00 0.00 O ATOM 1534 NE2 GLN A 109 86.311 12.121 4.635 1.00 0.00 N ATOM 0 H GLN A 109 89.898 9.642 8.736 1.00 0.00 H new ATOM 0 HA GLN A 109 90.561 9.492 5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 109 88.249 9.570 7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.619 11.206 7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.874 11.914 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.591 10.271 4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.903 12.640 3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 109 85.306 12.293 4.657 1.00 0.00 H new ATOM 1543 N VAL A 110 91.631 11.662 5.354 1.00 0.00 N ATOM 1544 CA VAL A 110 92.429 12.897 5.112 1.00 0.00 C ATOM 1545 C VAL A 110 91.939 13.619 3.851 1.00 0.00 C ATOM 1546 O VAL A 110 91.206 13.069 3.053 1.00 0.00 O ATOM 1547 CB VAL A 110 93.881 12.433 4.938 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.363 11.743 6.216 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.977 11.452 3.766 1.00 0.00 C ATOM 0 H VAL A 110 91.535 11.046 4.547 1.00 0.00 H new ATOM 0 HA VAL A 110 92.331 13.602 5.938 1.00 0.00 H new ATOM 0 HB VAL A 110 94.507 13.302 4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.395 11.416 6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 110 94.306 12.442 7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.732 10.879 6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 110 95.010 11.126 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.344 10.587 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.645 11.944 2.852 1.00 0.00 H new ATOM 1559 N ASP A 111 92.339 14.854 3.677 1.00 0.00 N ATOM 1560 CA ASP A 111 91.905 15.637 2.475 1.00 0.00 C ATOM 1561 C ASP A 111 92.262 14.891 1.182 1.00 0.00 C ATOM 1562 O ASP A 111 93.319 14.302 1.065 1.00 0.00 O ATOM 1563 CB ASP A 111 92.683 16.957 2.559 1.00 0.00 C ATOM 1564 CG ASP A 111 92.206 17.929 1.472 1.00 0.00 C ATOM 1565 OD1 ASP A 111 91.616 17.475 0.504 1.00 0.00 O ATOM 1566 OD2 ASP A 111 92.443 19.116 1.626 1.00 0.00 O1- ATOM 0 H ASP A 111 92.951 15.358 4.319 1.00 0.00 H new ATOM 0 HA ASP A 111 90.826 15.792 2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 111 92.545 17.406 3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 111 93.750 16.766 2.442 1.00 0.00 H new ATOM 1571 N LEU A 112 91.381 14.919 0.215 1.00 0.00 N ATOM 1572 CA LEU A 112 91.643 14.221 -1.083 1.00 0.00 C ATOM 1573 C LEU A 112 92.888 14.794 -1.768 1.00 0.00 C ATOM 1574 O LEU A 112 93.667 14.078 -2.367 1.00 0.00 O ATOM 1575 CB LEU A 112 90.409 14.498 -1.944 1.00 0.00 C ATOM 1576 CG LEU A 112 90.574 13.817 -3.309 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.214 13.359 -3.832 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.190 14.807 -4.297 1.00 0.00 C ATOM 0 H LEU A 112 90.483 15.400 0.268 1.00 0.00 H new ATOM 0 HA LEU A 112 91.819 13.156 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.514 14.126 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.278 15.572 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 112 91.225 12.950 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.341 12.877 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 112 88.773 12.652 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 112 88.556 14.221 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.309 14.326 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 112 90.537 15.674 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.165 15.128 -3.930 1.00 0.00 H new ATOM 1590 N SER A 113 93.053 16.092 -1.713 1.00 0.00 N ATOM 1591 CA SER A 113 94.218 16.745 -2.394 1.00 0.00 C ATOM 1592 C SER A 113 95.542 16.121 -1.942 1.00 0.00 C ATOM 1593 O SER A 113 96.458 15.962 -2.728 1.00 0.00 O ATOM 1594 CB SER A 113 94.151 18.213 -1.968 1.00 0.00 C ATOM 1595 OG SER A 113 92.944 18.789 -2.455 1.00 0.00 O ATOM 0 H SER A 113 92.428 16.733 -1.223 1.00 0.00 H new ATOM 0 HA SER A 113 94.172 16.622 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 113 94.192 18.291 -0.882 1.00 0.00 H new ATOM 0 HB3 SER A 113 95.011 18.757 -2.359 1.00 0.00 H new ATOM 0 HG SER A 113 92.897 19.729 -2.182 1.00 0.00 H new ATOM 1601 N ASN A 114 95.651 15.779 -0.690 1.00 0.00 N ATOM 1602 CA ASN A 114 96.919 15.172 -0.176 1.00 0.00 C ATOM 1603 C ASN A 114 97.170 13.797 -0.809 1.00 0.00 C ATOM 1604 O ASN A 114 98.298 13.446 -1.091 1.00 0.00 O ATOM 1605 CB ASN A 114 96.734 15.056 1.337 1.00 0.00 C ATOM 1606 CG ASN A 114 96.750 16.455 1.958 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.349 17.365 1.419 1.00 0.00 O ATOM 1608 ND2 ASN A 114 96.111 16.668 3.076 1.00 0.00 N ATOM 0 H ASN A 114 94.915 15.893 0.007 1.00 0.00 H new ATOM 0 HA ASN A 114 97.786 15.783 -0.428 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.792 14.556 1.562 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.529 14.446 1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 114 96.115 17.597 3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.608 15.905 3.529 1.00 0.00 H new ATOM 1615 N CYS A 115 96.141 13.020 -1.038 1.00 0.00 N ATOM 1616 CA CYS A 115 96.348 11.673 -1.665 1.00 0.00 C ATOM 1617 C CYS A 115 96.926 11.836 -3.068 1.00 0.00 C ATOM 1618 O CYS A 115 97.835 11.131 -3.463 1.00 0.00 O ATOM 1619 CB CYS A 115 94.966 11.038 -1.772 1.00 0.00 C ATOM 1620 SG CYS A 115 94.229 10.866 -0.135 1.00 0.00 S ATOM 0 H CYS A 115 95.173 13.255 -0.821 1.00 0.00 H new ATOM 0 HA CYS A 115 97.035 11.066 -1.075 1.00 0.00 H new ATOM 0 HB2 CYS A 115 94.324 11.651 -2.405 1.00 0.00 H new ATOM 0 HB3 CYS A 115 95.043 10.061 -2.248 1.00 0.00 H new ATOM 1625 N ILE A 116 96.387 12.753 -3.826 1.00 0.00 N ATOM 1626 CA ILE A 116 96.882 12.965 -5.218 1.00 0.00 C ATOM 1627 C ILE A 116 98.284 13.575 -5.190 1.00 0.00 C ATOM 1628 O ILE A 116 99.140 13.211 -5.974 1.00 0.00 O ATOM 1629 CB ILE A 116 95.869 13.907 -5.876 1.00 0.00 C ATOM 1630 CG1 ILE A 116 94.485 13.252 -5.869 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.284 14.185 -7.322 1.00 0.00 C ATOM 1632 CD1 ILE A 116 93.445 14.234 -6.411 1.00 0.00 C ATOM 0 H ILE A 116 95.623 13.366 -3.541 1.00 0.00 H new ATOM 0 HA ILE A 116 96.963 12.032 -5.776 1.00 0.00 H new ATOM 0 HB ILE A 116 95.838 14.844 -5.320 1.00 0.00 H new ATOM 0 HG12 ILE A 116 94.497 12.348 -6.478 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.220 12.950 -4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 116 95.560 14.855 -7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.270 14.650 -7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 116 96.318 13.248 -7.877 1.00 0.00 H new ATOM 0 HD11 ILE A 116 92.462 13.763 -6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 116 93.425 15.126 -5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 116 93.706 14.514 -7.432 1.00 0.00 H new ATOM 1644 N ASN A 117 98.527 14.495 -4.292 1.00 0.00 N ATOM 1645 CA ASN A 117 99.882 15.123 -4.210 1.00 0.00 C ATOM 1646 C ASN A 117 100.926 14.090 -3.768 1.00 0.00 C ATOM 1647 O ASN A 117 102.042 14.073 -4.253 1.00 0.00 O ATOM 1648 CB ASN A 117 99.753 16.230 -3.167 1.00 0.00 C ATOM 1649 CG ASN A 117 98.887 17.361 -3.725 1.00 0.00 C ATOM 1650 OD1 ASN A 117 98.854 17.582 -4.919 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.181 18.089 -2.906 1.00 0.00 N ATOM 0 H ASN A 117 97.848 14.839 -3.613 1.00 0.00 H new ATOM 0 HA ASN A 117 100.208 15.511 -5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.308 15.834 -2.254 1.00 0.00 H new ATOM 0 HB3 ASN A 117 100.739 16.610 -2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 117 97.600 18.845 -3.268 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.210 17.902 -1.904 1.00 0.00 H new ATOM 1658 N GLY A 118 100.572 13.243 -2.836 1.00 0.00 N ATOM 1659 CA GLY A 118 101.533 12.216 -2.330 1.00 0.00 C ATOM 1660 C GLY A 118 101.719 11.095 -3.354 1.00 0.00 C ATOM 1661 O GLY A 118 102.824 10.806 -3.772 1.00 0.00 O ATOM 0 H GLY A 118 99.650 13.218 -2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.494 12.684 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 118 101.167 11.800 -1.391 1.00 0.00 H new ATOM 1665 N ALA A 119 100.649 10.455 -3.753 1.00 0.00 N ATOM 1666 CA ALA A 119 100.764 9.338 -4.745 1.00 0.00 C ATOM 1667 C ALA A 119 101.377 9.850 -6.051 1.00 0.00 C ATOM 1668 O ALA A 119 102.222 9.208 -6.644 1.00 0.00 O ATOM 1669 CB ALA A 119 99.329 8.858 -4.979 1.00 0.00 C ATOM 0 H ALA A 119 99.701 10.656 -3.436 1.00 0.00 H new ATOM 0 HA ALA A 119 101.407 8.535 -4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.332 8.038 -5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.902 8.514 -4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 119 98.730 9.680 -5.370 1.00 0.00 H new ATOM 1675 N ASN A 120 100.959 11.009 -6.498 1.00 0.00 N ATOM 1676 CA ASN A 120 101.510 11.592 -7.764 1.00 0.00 C ATOM 1677 C ASN A 120 101.471 10.564 -8.909 1.00 0.00 C ATOM 1678 O ASN A 120 100.392 10.333 -9.431 1.00 0.00 O ATOM 1679 CB ASN A 120 102.951 11.985 -7.424 1.00 0.00 C ATOM 1680 CG ASN A 120 103.517 12.892 -8.521 1.00 0.00 C ATOM 1681 OD1 ASN A 120 102.781 13.431 -9.325 1.00 0.00 O ATOM 1682 ND2 ASN A 120 104.805 13.088 -8.586 1.00 0.00 N ATOM 1683 OXT ASN A 120 102.516 10.025 -9.242 1.00 0.00 O ATOM 0 H ASN A 120 100.253 11.582 -6.036 1.00 0.00 H new ATOM 0 HA ASN A 120 100.926 12.445 -8.108 1.00 0.00 H new ATOM 0 HB2 ASN A 120 102.980 12.500 -6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 120 103.567 11.091 -7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 120 105.193 13.692 -9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 120 105.424 12.637 -7.913 1.00 0.00 H new TER 1690 ASN A 120