USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 779 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 65 GLN : amide:sc= 0 X(o=-0.54,f=-0.54) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.544 K(o=-0.54,f=-1.3) USER MOD Set 2.1: A 17 THR OG1 : rot 135:sc= 1.36 USER MOD Set 2.2: A 20 SER OG : rot 93:sc= 0.857 USER MOD Set 2.3: A 98 ASN : amide:sc= 1.16 K(o=3.4,f=-6.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 60:sc= -2.96 USER MOD Single : A 13 HIS : no HD1:sc= -0.411 X(o=-0.41,f=0.078) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0529 X(o=-0.053,f=-0.053) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -0:sc= 0.925 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -52:sc= 0.848 USER MOD Single : A 30 SER OG : rot 98:sc= -3.43! USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -126:sc= 0.0211 (180deg=-5.36!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= 1.03 K(o=1,f=-3.2!) USER MOD Single : A 72 SER OG : rot 57:sc= 1.23 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -41:sc= 0.392 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 30:sc= -0.671 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0993 USER MOD Single : A 93 ASN : amide:sc= -1.88! K(o=-1.9!,f=-0.081) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.125 -19.416 15.005 1.00 0.00 N ATOM 2 CA GLY A 1 -9.159 -19.857 14.083 1.00 0.00 C ATOM 3 C GLY A 1 -9.530 -18.742 13.103 1.00 0.00 C ATOM 4 O GLY A 1 -9.890 -17.641 13.516 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.891 -20.190 15.659 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.275 -19.146 14.470 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.469 -18.597 15.546 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.811 -20.730 13.531 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.043 -20.164 14.642 1.00 0.00 H new ATOM 8 N SER A 2 -9.430 -19.067 11.822 1.00 0.00 N ATOM 9 CA SER A 2 -9.750 -18.108 10.779 1.00 0.00 C ATOM 10 C SER A 2 -10.651 -18.759 9.727 1.00 0.00 C ATOM 11 O SER A 2 -11.752 -18.278 9.463 1.00 0.00 O ATOM 12 CB SER A 2 -8.480 -17.561 10.125 1.00 0.00 C ATOM 13 OG SER A 2 -8.261 -16.191 10.448 1.00 0.00 O ATOM 0 H SER A 2 -9.132 -19.982 11.483 1.00 0.00 H new ATOM 0 HA SER A 2 -10.280 -17.272 11.235 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.623 -18.151 10.448 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.553 -17.671 9.043 1.00 0.00 H new ATOM 0 HG SER A 2 -7.440 -15.880 10.013 1.00 0.00 H new ATOM 19 N SER A 3 -10.150 -19.844 9.156 1.00 0.00 N ATOM 20 CA SER A 3 -10.895 -20.567 8.139 1.00 0.00 C ATOM 21 C SER A 3 -11.198 -19.643 6.957 1.00 0.00 C ATOM 22 O SER A 3 -12.269 -19.042 6.893 1.00 0.00 O ATOM 23 CB SER A 3 -12.194 -21.140 8.711 1.00 0.00 C ATOM 24 OG SER A 3 -12.257 -22.557 8.575 1.00 0.00 O ATOM 0 H SER A 3 -9.237 -20.240 9.378 1.00 0.00 H new ATOM 0 HA SER A 3 -10.283 -21.400 7.794 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.275 -20.873 9.765 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.045 -20.689 8.201 1.00 0.00 H new ATOM 0 HG SER A 3 -13.100 -22.885 8.953 1.00 0.00 H new ATOM 30 N GLY A 4 -10.235 -19.560 6.051 1.00 0.00 N ATOM 31 CA GLY A 4 -10.385 -18.720 4.875 1.00 0.00 C ATOM 32 C GLY A 4 -9.579 -19.274 3.699 1.00 0.00 C ATOM 33 O GLY A 4 -8.355 -19.156 3.670 1.00 0.00 O ATOM 0 H GLY A 4 -9.348 -20.061 6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.438 -18.657 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.053 -17.707 5.103 1.00 0.00 H new ATOM 37 N SER A 5 -10.298 -19.868 2.757 1.00 0.00 N ATOM 38 CA SER A 5 -9.664 -20.440 1.581 1.00 0.00 C ATOM 39 C SER A 5 -10.729 -20.881 0.576 1.00 0.00 C ATOM 40 O SER A 5 -11.577 -21.716 0.889 1.00 0.00 O ATOM 41 CB SER A 5 -8.769 -21.622 1.959 1.00 0.00 C ATOM 42 OG SER A 5 -7.945 -22.036 0.873 1.00 0.00 O ATOM 0 H SER A 5 -11.313 -19.965 2.784 1.00 0.00 H new ATOM 0 HA SER A 5 -9.036 -19.675 1.124 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.141 -21.345 2.806 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.389 -22.458 2.282 1.00 0.00 H new ATOM 0 HG SER A 5 -7.388 -22.791 1.155 1.00 0.00 H new ATOM 48 N SER A 6 -10.651 -20.302 -0.613 1.00 0.00 N ATOM 49 CA SER A 6 -11.598 -20.624 -1.667 1.00 0.00 C ATOM 50 C SER A 6 -11.026 -20.219 -3.027 1.00 0.00 C ATOM 51 O SER A 6 -11.064 -19.046 -3.396 1.00 0.00 O ATOM 52 CB SER A 6 -12.942 -19.934 -1.430 1.00 0.00 C ATOM 53 OG SER A 6 -13.978 -20.490 -2.235 1.00 0.00 O ATOM 0 H SER A 6 -9.946 -19.611 -0.870 1.00 0.00 H new ATOM 0 HA SER A 6 -11.767 -21.701 -1.657 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.214 -20.022 -0.378 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.846 -18.870 -1.647 1.00 0.00 H new ATOM 0 HG SER A 6 -14.820 -20.023 -2.053 1.00 0.00 H new ATOM 59 N GLY A 7 -10.508 -21.212 -3.735 1.00 0.00 N ATOM 60 CA GLY A 7 -9.929 -20.974 -5.046 1.00 0.00 C ATOM 61 C GLY A 7 -8.719 -20.041 -4.950 1.00 0.00 C ATOM 62 O GLY A 7 -7.786 -20.306 -4.194 1.00 0.00 O ATOM 0 H GLY A 7 -10.477 -22.183 -3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.627 -21.922 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.679 -20.536 -5.705 1.00 0.00 H new ATOM 66 N GLU A 8 -8.776 -18.969 -5.726 1.00 0.00 N ATOM 67 CA GLU A 8 -7.697 -17.996 -5.738 1.00 0.00 C ATOM 68 C GLU A 8 -7.307 -17.618 -4.307 1.00 0.00 C ATOM 69 O GLU A 8 -8.119 -17.070 -3.563 1.00 0.00 O ATOM 70 CB GLU A 8 -8.085 -16.757 -6.546 1.00 0.00 C ATOM 71 CG GLU A 8 -9.473 -16.252 -6.143 1.00 0.00 C ATOM 72 CD GLU A 8 -10.399 -16.167 -7.358 1.00 0.00 C ATOM 73 OE1 GLU A 8 -9.870 -15.893 -8.457 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.615 -16.378 -7.160 1.00 0.00 O ATOM 0 H GLU A 8 -9.553 -18.753 -6.351 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.831 -18.448 -6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.348 -15.970 -6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.075 -16.994 -7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.905 -16.920 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.386 -15.270 -5.678 1.00 0.00 H new ATOM 81 N GLU A 9 -6.065 -17.926 -3.966 1.00 0.00 N ATOM 82 CA GLU A 9 -5.558 -17.626 -2.638 1.00 0.00 C ATOM 83 C GLU A 9 -4.296 -16.766 -2.733 1.00 0.00 C ATOM 84 O GLU A 9 -3.225 -17.264 -3.077 1.00 0.00 O ATOM 85 CB GLU A 9 -5.288 -18.909 -1.850 1.00 0.00 C ATOM 86 CG GLU A 9 -6.593 -19.527 -1.344 1.00 0.00 C ATOM 87 CD GLU A 9 -7.014 -18.905 -0.011 1.00 0.00 C ATOM 88 OE1 GLU A 9 -6.471 -19.354 1.021 1.00 0.00 O ATOM 89 OE2 GLU A 9 -7.868 -17.993 -0.055 1.00 0.00 O ATOM 0 H GLU A 9 -5.395 -18.380 -4.586 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.320 -17.062 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.764 -19.625 -2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.634 -18.691 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.380 -19.379 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.467 -20.603 -1.224 1.00 0.00 H new ATOM 96 N ILE A 10 -4.464 -15.488 -2.423 1.00 0.00 N ATOM 97 CA ILE A 10 -3.352 -14.555 -2.470 1.00 0.00 C ATOM 98 C ILE A 10 -3.636 -13.383 -1.527 1.00 0.00 C ATOM 99 O ILE A 10 -4.785 -13.138 -1.165 1.00 0.00 O ATOM 100 CB ILE A 10 -3.069 -14.129 -3.912 1.00 0.00 C ATOM 101 CG1 ILE A 10 -1.690 -13.477 -4.031 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.180 -13.222 -4.444 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.171 -13.551 -5.469 1.00 0.00 C ATOM 0 H ILE A 10 -5.353 -15.078 -2.139 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.438 -15.034 -2.119 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.057 -15.023 -4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.748 -12.436 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.989 -13.975 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.954 -12.934 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.130 -13.756 -4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.249 -12.329 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.189 -13.081 -5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.092 -14.594 -5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.862 -13.031 -6.132 1.00 0.00 H new ATOM 115 N PHE A 11 -2.568 -12.690 -1.158 1.00 0.00 N ATOM 116 CA PHE A 11 -2.688 -11.551 -0.265 1.00 0.00 C ATOM 117 C PHE A 11 -1.878 -10.361 -0.783 1.00 0.00 C ATOM 118 O PHE A 11 -0.755 -10.528 -1.257 1.00 0.00 O ATOM 119 CB PHE A 11 -2.126 -11.983 1.091 1.00 0.00 C ATOM 120 CG PHE A 11 -3.197 -12.368 2.114 1.00 0.00 C ATOM 121 CD1 PHE A 11 -3.802 -11.406 2.860 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.543 -13.673 2.277 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.795 -11.763 3.810 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.537 -14.030 3.227 1.00 0.00 C ATOM 125 CZ PHE A 11 -5.142 -13.068 3.973 1.00 0.00 C ATOM 0 H PHE A 11 -1.616 -12.896 -1.462 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.731 -11.243 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.458 -12.832 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.524 -11.171 1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.527 -10.370 2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.062 -14.437 1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.275 -10.998 4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.812 -15.066 3.357 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.898 -13.340 4.695 1.00 0.00 H new ATOM 135 N CYS A 12 -2.479 -9.185 -0.675 1.00 0.00 N ATOM 136 CA CYS A 12 -1.827 -7.967 -1.127 1.00 0.00 C ATOM 137 C CYS A 12 -1.147 -7.311 0.077 1.00 0.00 C ATOM 138 O CYS A 12 -1.820 -6.820 0.983 1.00 0.00 O ATOM 139 CB CYS A 12 -2.813 -7.019 -1.812 1.00 0.00 C ATOM 140 SG CYS A 12 -1.962 -5.471 -2.291 1.00 0.00 S ATOM 0 H CYS A 12 -3.410 -9.050 -0.281 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.076 -8.210 -1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.238 -7.498 -2.694 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.642 -6.795 -1.140 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.991 -5.745 -3.110 1.00 0.00 H new ATOM 146 N HIS A 13 0.177 -7.324 0.048 1.00 0.00 N ATOM 147 CA HIS A 13 0.955 -6.736 1.125 1.00 0.00 C ATOM 148 C HIS A 13 1.044 -5.221 0.927 1.00 0.00 C ATOM 149 O HIS A 13 1.660 -4.752 -0.029 1.00 0.00 O ATOM 150 CB HIS A 13 2.329 -7.402 1.229 1.00 0.00 C ATOM 151 CG HIS A 13 2.290 -8.807 1.780 1.00 0.00 C ATOM 152 ND1 HIS A 13 2.636 -9.917 1.028 1.00 0.00 N ATOM 153 CD2 HIS A 13 1.944 -9.271 3.015 1.00 0.00 C ATOM 154 CE1 HIS A 13 2.500 -10.994 1.786 1.00 0.00 C ATOM 155 NE2 HIS A 13 2.070 -10.592 3.017 1.00 0.00 N ATOM 0 H HIS A 13 0.731 -7.733 -0.705 1.00 0.00 H new ATOM 0 HA HIS A 13 0.456 -6.914 2.078 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.787 -7.423 0.240 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.970 -6.791 1.864 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.622 -8.666 3.850 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.695 -12.012 1.483 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.877 -11.206 3.808 1.00 0.00 H new ATOM 163 N VAL A 14 0.419 -4.499 1.846 1.00 0.00 N ATOM 164 CA VAL A 14 0.420 -3.048 1.784 1.00 0.00 C ATOM 165 C VAL A 14 1.165 -2.490 2.998 1.00 0.00 C ATOM 166 O VAL A 14 0.598 -2.385 4.085 1.00 0.00 O ATOM 167 CB VAL A 14 -1.015 -2.528 1.673 1.00 0.00 C ATOM 168 CG1 VAL A 14 -1.123 -1.097 2.205 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.520 -2.616 0.232 1.00 0.00 C ATOM 0 H VAL A 14 -0.091 -4.892 2.637 1.00 0.00 H new ATOM 0 HA VAL A 14 0.946 -2.705 0.893 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.650 -3.164 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.153 -0.752 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.824 -1.075 3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.469 -0.444 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.542 -2.240 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.880 -2.016 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.498 -3.655 -0.098 1.00 0.00 H new ATOM 179 N TYR A 15 2.425 -2.148 2.773 1.00 0.00 N ATOM 180 CA TYR A 15 3.254 -1.604 3.835 1.00 0.00 C ATOM 181 C TYR A 15 2.822 -0.181 4.194 1.00 0.00 C ATOM 182 O TYR A 15 2.476 0.607 3.314 1.00 0.00 O ATOM 183 CB TYR A 15 4.680 -1.567 3.281 1.00 0.00 C ATOM 184 CG TYR A 15 5.419 -2.904 3.376 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.733 -4.086 3.189 1.00 0.00 C ATOM 186 CD2 TYR A 15 6.771 -2.926 3.650 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.429 -5.344 3.278 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.467 -4.183 3.740 1.00 0.00 C ATOM 189 CZ TYR A 15 6.762 -5.330 3.550 1.00 0.00 C ATOM 190 OH TYR A 15 7.419 -6.518 3.634 1.00 0.00 O ATOM 0 H TYR A 15 2.892 -2.237 1.871 1.00 0.00 H new ATOM 0 HA TYR A 15 3.171 -2.212 4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.645 -1.256 2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.249 -0.810 3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.674 -4.068 2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.307 -2.000 3.797 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.905 -6.277 3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.525 -4.214 3.954 1.00 0.00 H new ATOM 0 HH TYR A 15 8.365 -6.355 3.832 1.00 0.00 H new ATOM 200 N ILE A 16 2.857 0.106 5.487 1.00 0.00 N ATOM 201 CA ILE A 16 2.473 1.421 5.972 1.00 0.00 C ATOM 202 C ILE A 16 3.732 2.237 6.270 1.00 0.00 C ATOM 203 O ILE A 16 3.912 3.327 5.728 1.00 0.00 O ATOM 204 CB ILE A 16 1.525 1.296 7.166 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.389 0.316 6.864 1.00 0.00 C ATOM 206 CG2 ILE A 16 0.999 2.667 7.596 1.00 0.00 C ATOM 207 CD1 ILE A 16 -0.265 -0.180 8.155 1.00 0.00 C ATOM 0 H ILE A 16 3.145 -0.549 6.214 1.00 0.00 H new ATOM 0 HA ILE A 16 1.915 1.961 5.207 1.00 0.00 H new ATOM 0 HB ILE A 16 2.087 0.889 8.006 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.358 0.802 6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.776 -0.532 6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.328 2.549 8.446 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.836 3.305 7.880 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.458 3.125 6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.069 -0.875 7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.480 -0.687 8.769 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.672 0.668 8.706 1.00 0.00 H new ATOM 219 N THR A 17 4.571 1.679 7.130 1.00 0.00 N ATOM 220 CA THR A 17 5.808 2.342 7.506 1.00 0.00 C ATOM 221 C THR A 17 7.014 1.547 7.001 1.00 0.00 C ATOM 222 O THR A 17 7.003 1.042 5.879 1.00 0.00 O ATOM 223 CB THR A 17 5.800 2.533 9.024 1.00 0.00 C ATOM 224 OG1 THR A 17 6.124 1.244 9.538 1.00 0.00 O ATOM 225 CG2 THR A 17 4.398 2.810 9.572 1.00 0.00 C ATOM 0 H THR A 17 4.419 0.775 7.577 1.00 0.00 H new ATOM 0 HA THR A 17 5.887 3.324 7.040 1.00 0.00 H new ATOM 0 HB THR A 17 6.463 3.356 9.289 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.794 1.334 10.247 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.449 2.938 10.653 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.003 3.718 9.117 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.743 1.971 9.336 1.00 0.00 H new ATOM 233 N GLU A 18 8.025 1.462 7.852 1.00 0.00 N ATOM 234 CA GLU A 18 9.236 0.737 7.506 1.00 0.00 C ATOM 235 C GLU A 18 9.113 -0.731 7.919 1.00 0.00 C ATOM 236 O GLU A 18 9.627 -1.617 7.238 1.00 0.00 O ATOM 237 CB GLU A 18 10.465 1.386 8.146 1.00 0.00 C ATOM 238 CG GLU A 18 11.676 1.304 7.215 1.00 0.00 C ATOM 239 CD GLU A 18 12.443 2.628 7.195 1.00 0.00 C ATOM 240 OE1 GLU A 18 13.339 2.778 8.054 1.00 0.00 O ATOM 241 OE2 GLU A 18 12.115 3.461 6.322 1.00 0.00 O ATOM 0 H GLU A 18 8.031 1.883 8.781 1.00 0.00 H new ATOM 0 HA GLU A 18 9.365 0.780 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.250 2.429 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.693 0.890 9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.337 0.502 7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.347 1.055 6.206 1.00 0.00 H new ATOM 248 N HIS A 19 8.428 -0.944 9.033 1.00 0.00 N ATOM 249 CA HIS A 19 8.231 -2.289 9.545 1.00 0.00 C ATOM 250 C HIS A 19 6.755 -2.495 9.892 1.00 0.00 C ATOM 251 O HIS A 19 6.432 -3.132 10.893 1.00 0.00 O ATOM 252 CB HIS A 19 9.162 -2.562 10.728 1.00 0.00 C ATOM 253 CG HIS A 19 10.607 -2.212 10.466 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.382 -2.879 9.534 1.00 0.00 N ATOM 255 CD2 HIS A 19 11.408 -1.259 11.023 1.00 0.00 C ATOM 256 CE1 HIS A 19 12.594 -2.343 9.538 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.608 -1.340 10.463 1.00 0.00 N ATOM 0 H HIS A 19 8.002 -0.207 9.595 1.00 0.00 H new ATOM 0 HA HIS A 19 8.493 -3.016 8.777 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.812 -1.995 11.591 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.097 -3.617 10.992 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.115 -0.557 11.790 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.425 -2.647 8.918 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.409 -0.750 10.687 1.00 0.00 H new ATOM 265 N SER A 20 5.899 -1.943 9.045 1.00 0.00 N ATOM 266 CA SER A 20 4.465 -2.058 9.249 1.00 0.00 C ATOM 267 C SER A 20 3.765 -2.317 7.913 1.00 0.00 C ATOM 268 O SER A 20 4.149 -1.755 6.889 1.00 0.00 O ATOM 269 CB SER A 20 3.899 -0.799 9.909 1.00 0.00 C ATOM 270 OG SER A 20 4.800 -0.248 10.867 1.00 0.00 O ATOM 0 H SER A 20 6.171 -1.415 8.216 1.00 0.00 H new ATOM 0 HA SER A 20 4.282 -2.899 9.917 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.683 -0.054 9.143 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.954 -1.038 10.396 1.00 0.00 H new ATOM 0 HG SER A 20 5.358 0.433 10.437 1.00 0.00 H new ATOM 276 N TYR A 21 2.750 -3.167 7.968 1.00 0.00 N ATOM 277 CA TYR A 21 1.993 -3.507 6.775 1.00 0.00 C ATOM 278 C TYR A 21 0.614 -4.060 7.140 1.00 0.00 C ATOM 279 O TYR A 21 0.285 -4.189 8.318 1.00 0.00 O ATOM 280 CB TYR A 21 2.796 -4.598 6.063 1.00 0.00 C ATOM 281 CG TYR A 21 2.562 -6.004 6.618 1.00 0.00 C ATOM 282 CD1 TYR A 21 3.014 -6.331 7.881 1.00 0.00 C ATOM 283 CD2 TYR A 21 1.901 -6.946 5.857 1.00 0.00 C ATOM 284 CE1 TYR A 21 2.794 -7.655 8.404 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.681 -8.269 6.379 1.00 0.00 C ATOM 286 CZ TYR A 21 2.139 -8.559 7.627 1.00 0.00 C ATOM 287 OH TYR A 21 1.932 -9.809 8.120 1.00 0.00 O ATOM 0 H TYR A 21 2.434 -3.630 8.820 1.00 0.00 H new ATOM 0 HA TYR A 21 1.842 -2.626 6.152 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.541 -4.590 5.003 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.857 -4.361 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.532 -5.594 8.477 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.548 -6.690 4.869 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.141 -7.924 9.391 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.164 -9.015 5.793 1.00 0.00 H new ATOM 0 HH TYR A 21 1.451 -10.347 7.457 1.00 0.00 H new ATOM 297 N VAL A 22 -0.155 -4.373 6.107 1.00 0.00 N ATOM 298 CA VAL A 22 -1.490 -4.910 6.304 1.00 0.00 C ATOM 299 C VAL A 22 -1.716 -6.073 5.336 1.00 0.00 C ATOM 300 O VAL A 22 -1.370 -5.981 4.159 1.00 0.00 O ATOM 301 CB VAL A 22 -2.529 -3.797 6.154 1.00 0.00 C ATOM 302 CG1 VAL A 22 -2.491 -3.198 4.747 1.00 0.00 C ATOM 303 CG2 VAL A 22 -3.931 -4.305 6.496 1.00 0.00 C ATOM 0 H VAL A 22 0.122 -4.265 5.131 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.598 -5.303 7.315 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.278 -3.007 6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.239 -2.409 4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.502 -2.781 4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.705 -3.976 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.650 -3.494 6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.196 -5.122 5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.948 -4.661 7.526 1.00 0.00 H new ATOM 313 N SER A 23 -2.294 -7.140 5.867 1.00 0.00 N ATOM 314 CA SER A 23 -2.570 -8.319 5.064 1.00 0.00 C ATOM 315 C SER A 23 -3.965 -8.217 4.446 1.00 0.00 C ATOM 316 O SER A 23 -4.969 -8.378 5.138 1.00 0.00 O ATOM 317 CB SER A 23 -2.453 -9.595 5.901 1.00 0.00 C ATOM 318 OG SER A 23 -3.607 -9.811 6.710 1.00 0.00 O ATOM 0 H SER A 23 -2.579 -7.213 6.844 1.00 0.00 H new ATOM 0 HA SER A 23 -1.829 -8.370 4.266 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.308 -10.450 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.571 -9.531 6.538 1.00 0.00 H new ATOM 0 HG SER A 23 -4.249 -9.085 6.564 1.00 0.00 H new ATOM 324 N VAL A 24 -3.984 -7.948 3.148 1.00 0.00 N ATOM 325 CA VAL A 24 -5.240 -7.822 2.428 1.00 0.00 C ATOM 326 C VAL A 24 -5.454 -9.065 1.563 1.00 0.00 C ATOM 327 O VAL A 24 -4.624 -9.385 0.713 1.00 0.00 O ATOM 328 CB VAL A 24 -5.252 -6.522 1.621 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.517 -6.419 0.767 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.107 -5.306 2.537 1.00 0.00 C ATOM 0 H VAL A 24 -3.150 -7.814 2.577 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.076 -7.764 3.125 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.394 -6.537 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.501 -5.486 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.558 -7.260 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.395 -6.437 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.119 -4.396 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.934 -5.284 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.165 -5.370 3.081 1.00 0.00 H new ATOM 340 N LYS A 25 -6.571 -9.733 1.810 1.00 0.00 N ATOM 341 CA LYS A 25 -6.905 -10.935 1.064 1.00 0.00 C ATOM 342 C LYS A 25 -7.782 -10.560 -0.133 1.00 0.00 C ATOM 343 O LYS A 25 -8.989 -10.370 0.013 1.00 0.00 O ATOM 344 CB LYS A 25 -7.537 -11.980 1.986 1.00 0.00 C ATOM 345 CG LYS A 25 -7.572 -13.354 1.314 1.00 0.00 C ATOM 346 CD LYS A 25 -8.569 -14.280 2.013 1.00 0.00 C ATOM 347 CE LYS A 25 -7.844 -15.373 2.801 1.00 0.00 C ATOM 348 NZ LYS A 25 -8.361 -15.442 4.186 1.00 0.00 N ATOM 0 H LYS A 25 -7.257 -9.465 2.516 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.003 -11.399 0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.971 -12.040 2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.550 -11.674 2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.847 -13.243 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.578 -13.800 1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.200 -13.699 2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.227 -14.736 1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.979 -16.336 2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.773 -15.170 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.859 -16.189 4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.210 -14.528 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.378 -15.658 4.167 1.00 0.00 H new ATOM 362 N ALA A 26 -7.141 -10.465 -1.288 1.00 0.00 N ATOM 363 CA ALA A 26 -7.848 -10.116 -2.509 1.00 0.00 C ATOM 364 C ALA A 26 -7.713 -11.261 -3.516 1.00 0.00 C ATOM 365 O ALA A 26 -7.087 -12.278 -3.224 1.00 0.00 O ATOM 366 CB ALA A 26 -7.305 -8.794 -3.054 1.00 0.00 C ATOM 0 H ALA A 26 -6.140 -10.623 -1.405 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.910 -9.975 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.835 -8.533 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.451 -8.008 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.241 -8.898 -3.268 1.00 0.00 H new ATOM 372 N LYS A 27 -8.311 -11.055 -4.680 1.00 0.00 N ATOM 373 CA LYS A 27 -8.265 -12.057 -5.732 1.00 0.00 C ATOM 374 C LYS A 27 -6.858 -12.096 -6.332 1.00 0.00 C ATOM 375 O LYS A 27 -5.997 -11.302 -5.958 1.00 0.00 O ATOM 376 CB LYS A 27 -9.367 -11.802 -6.763 1.00 0.00 C ATOM 377 CG LYS A 27 -10.720 -11.596 -6.079 1.00 0.00 C ATOM 378 CD LYS A 27 -11.351 -12.936 -5.697 1.00 0.00 C ATOM 379 CE LYS A 27 -12.829 -12.978 -6.091 1.00 0.00 C ATOM 380 NZ LYS A 27 -13.617 -12.051 -5.248 1.00 0.00 N ATOM 0 H LYS A 27 -8.830 -10.210 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.465 -13.048 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.118 -10.923 -7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.428 -12.645 -7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.591 -10.983 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.389 -11.052 -6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.816 -13.748 -6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.252 -13.096 -4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.939 -12.707 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.212 -13.993 -5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.618 -12.092 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.526 -12.327 -4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.262 -11.081 -5.373 1.00 0.00 H new ATOM 394 N VAL A 28 -6.669 -13.029 -7.254 1.00 0.00 N ATOM 395 CA VAL A 28 -5.381 -13.183 -7.910 1.00 0.00 C ATOM 396 C VAL A 28 -5.257 -12.147 -9.029 1.00 0.00 C ATOM 397 O VAL A 28 -4.162 -11.898 -9.530 1.00 0.00 O ATOM 398 CB VAL A 28 -5.214 -14.621 -8.405 1.00 0.00 C ATOM 399 CG1 VAL A 28 -6.222 -14.940 -9.510 1.00 0.00 C ATOM 400 CG2 VAL A 28 -3.782 -14.875 -8.879 1.00 0.00 C ATOM 0 H VAL A 28 -7.386 -13.686 -7.562 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.569 -13.000 -7.206 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.412 -15.289 -7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.082 -15.968 -9.844 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.234 -14.818 -9.125 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.069 -14.261 -10.349 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.691 -15.904 -9.226 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.543 -14.194 -9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.090 -14.707 -8.053 1.00 0.00 H new ATOM 410 N SER A 29 -6.395 -11.571 -9.387 1.00 0.00 N ATOM 411 CA SER A 29 -6.428 -10.568 -10.438 1.00 0.00 C ATOM 412 C SER A 29 -7.234 -9.352 -9.976 1.00 0.00 C ATOM 413 O SER A 29 -7.893 -8.697 -10.782 1.00 0.00 O ATOM 414 CB SER A 29 -7.021 -11.139 -11.727 1.00 0.00 C ATOM 415 OG SER A 29 -7.018 -10.185 -12.785 1.00 0.00 O ATOM 0 H SER A 29 -7.301 -11.780 -8.968 1.00 0.00 H new ATOM 0 HA SER A 29 -5.404 -10.259 -10.647 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.451 -12.018 -12.030 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.043 -11.470 -11.540 1.00 0.00 H new ATOM 0 HG SER A 29 -7.447 -9.358 -12.481 1.00 0.00 H new ATOM 421 N SER A 30 -7.156 -9.088 -8.680 1.00 0.00 N ATOM 422 CA SER A 30 -7.870 -7.963 -8.101 1.00 0.00 C ATOM 423 C SER A 30 -7.086 -6.670 -8.334 1.00 0.00 C ATOM 424 O SER A 30 -5.869 -6.701 -8.509 1.00 0.00 O ATOM 425 CB SER A 30 -8.113 -8.175 -6.606 1.00 0.00 C ATOM 426 OG SER A 30 -7.274 -9.194 -6.068 1.00 0.00 O ATOM 0 H SER A 30 -6.609 -9.634 -8.014 1.00 0.00 H new ATOM 0 HA SER A 30 -8.840 -7.885 -8.591 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.935 -7.241 -6.074 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.157 -8.441 -6.443 1.00 0.00 H new ATOM 0 HG SER A 30 -6.496 -8.783 -5.637 1.00 0.00 H new ATOM 432 N ILE A 31 -7.816 -5.564 -8.327 1.00 0.00 N ATOM 433 CA ILE A 31 -7.204 -4.262 -8.535 1.00 0.00 C ATOM 434 C ILE A 31 -6.691 -3.725 -7.198 1.00 0.00 C ATOM 435 O ILE A 31 -7.020 -4.263 -6.142 1.00 0.00 O ATOM 436 CB ILE A 31 -8.178 -3.319 -9.244 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.505 -3.232 -8.488 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.376 -3.732 -10.704 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.273 -1.966 -8.873 1.00 0.00 C ATOM 0 H ILE A 31 -8.825 -5.543 -8.181 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.342 -4.348 -9.196 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.744 -2.319 -9.248 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.111 -4.111 -8.708 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.317 -3.235 -7.414 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.073 -3.045 -11.185 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.419 -3.701 -11.224 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.778 -4.744 -10.744 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.212 -1.928 -8.322 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.674 -1.089 -8.629 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.481 -1.978 -9.943 1.00 0.00 H new ATOM 451 N ALA A 32 -5.894 -2.670 -7.286 1.00 0.00 N ATOM 452 CA ALA A 32 -5.333 -2.054 -6.096 1.00 0.00 C ATOM 453 C ALA A 32 -6.453 -1.385 -5.297 1.00 0.00 C ATOM 454 O ALA A 32 -6.519 -1.526 -4.077 1.00 0.00 O ATOM 455 CB ALA A 32 -4.235 -1.068 -6.501 1.00 0.00 C ATOM 0 H ALA A 32 -5.623 -2.226 -8.164 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.875 -2.806 -5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.814 -0.606 -5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.450 -1.599 -7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.658 -0.296 -7.144 1.00 0.00 H new ATOM 461 N GLN A 33 -7.305 -0.671 -6.018 1.00 0.00 N ATOM 462 CA GLN A 33 -8.418 0.021 -5.391 1.00 0.00 C ATOM 463 C GLN A 33 -9.088 -0.882 -4.353 1.00 0.00 C ATOM 464 O GLN A 33 -9.361 -0.450 -3.234 1.00 0.00 O ATOM 465 CB GLN A 33 -9.428 0.495 -6.438 1.00 0.00 C ATOM 466 CG GLN A 33 -10.724 0.966 -5.776 1.00 0.00 C ATOM 467 CD GLN A 33 -10.840 2.491 -5.820 1.00 0.00 C ATOM 468 OE1 GLN A 33 -11.546 3.063 -6.634 1.00 0.00 O ATOM 469 NE2 GLN A 33 -10.109 3.116 -4.901 1.00 0.00 N ATOM 0 H GLN A 33 -7.247 -0.557 -7.030 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.031 0.903 -4.881 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.997 1.308 -7.022 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.644 -0.316 -7.133 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.579 0.518 -6.283 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.752 0.625 -4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.539 2.577 -4.249 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.118 4.135 -4.848 1.00 0.00 H new ATOM 478 N GLU A 34 -9.332 -2.118 -4.761 1.00 0.00 N ATOM 479 CA GLU A 34 -9.964 -3.086 -3.880 1.00 0.00 C ATOM 480 C GLU A 34 -9.211 -3.165 -2.551 1.00 0.00 C ATOM 481 O GLU A 34 -9.825 -3.192 -1.486 1.00 0.00 O ATOM 482 CB GLU A 34 -10.047 -4.461 -4.546 1.00 0.00 C ATOM 483 CG GLU A 34 -11.242 -4.538 -5.498 1.00 0.00 C ATOM 484 CD GLU A 34 -11.532 -5.986 -5.897 1.00 0.00 C ATOM 485 OE1 GLU A 34 -10.596 -6.631 -6.416 1.00 0.00 O ATOM 486 OE2 GLU A 34 -12.685 -6.416 -5.674 1.00 0.00 O ATOM 0 H GLU A 34 -9.104 -2.472 -5.690 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.983 -2.754 -3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.127 -4.659 -5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.135 -5.234 -3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.121 -4.106 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.040 -3.945 -6.390 1.00 0.00 H new ATOM 493 N ILE A 35 -7.890 -3.199 -2.656 1.00 0.00 N ATOM 494 CA ILE A 35 -7.047 -3.275 -1.476 1.00 0.00 C ATOM 495 C ILE A 35 -7.182 -1.978 -0.675 1.00 0.00 C ATOM 496 O ILE A 35 -7.237 -2.006 0.554 1.00 0.00 O ATOM 497 CB ILE A 35 -5.606 -3.609 -1.867 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.568 -4.699 -2.940 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.778 -3.986 -0.637 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.494 -5.861 -2.574 1.00 0.00 C ATOM 0 H ILE A 35 -7.383 -3.175 -3.541 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.373 -4.088 -0.827 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.153 -2.716 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.867 -4.279 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.548 -5.065 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.758 -4.219 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.765 -3.151 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.220 -4.858 -0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.448 -6.622 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.177 -6.294 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.517 -5.496 -2.483 1.00 0.00 H new ATOM 512 N LEU A 36 -7.230 -0.872 -1.403 1.00 0.00 N ATOM 513 CA LEU A 36 -7.357 0.432 -0.775 1.00 0.00 C ATOM 514 C LEU A 36 -8.544 0.415 0.190 1.00 0.00 C ATOM 515 O LEU A 36 -8.365 0.538 1.401 1.00 0.00 O ATOM 516 CB LEU A 36 -7.444 1.531 -1.837 1.00 0.00 C ATOM 517 CG LEU A 36 -6.178 2.365 -2.043 1.00 0.00 C ATOM 518 CD1 LEU A 36 -6.516 3.743 -2.614 1.00 0.00 C ATOM 519 CD2 LEU A 36 -5.369 2.464 -0.749 1.00 0.00 C ATOM 0 H LEU A 36 -7.183 -0.852 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.469 0.659 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.710 1.070 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.259 2.204 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.551 1.857 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.598 4.315 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.017 3.626 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.174 4.271 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.475 3.062 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.976 2.936 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.079 1.465 -0.424 1.00 0.00 H new ATOM 531 N LYS A 37 -9.729 0.262 -0.381 1.00 0.00 N ATOM 532 CA LYS A 37 -10.945 0.228 0.414 1.00 0.00 C ATOM 533 C LYS A 37 -10.708 -0.624 1.663 1.00 0.00 C ATOM 534 O LYS A 37 -11.291 -0.365 2.714 1.00 0.00 O ATOM 535 CB LYS A 37 -12.127 -0.242 -0.435 1.00 0.00 C ATOM 536 CG LYS A 37 -11.918 -1.678 -0.921 1.00 0.00 C ATOM 537 CD LYS A 37 -13.255 -2.408 -1.068 1.00 0.00 C ATOM 538 CE LYS A 37 -13.077 -3.917 -0.895 1.00 0.00 C ATOM 539 NZ LYS A 37 -14.040 -4.653 -1.744 1.00 0.00 N ATOM 0 H LYS A 37 -9.874 0.160 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.206 1.230 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.045 -0.182 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.250 0.421 -1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.397 -1.669 -1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.282 -2.215 -0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.961 -2.034 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.682 -2.199 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.059 -4.202 -1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.223 -4.189 0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.906 -5.676 -1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.010 -4.394 -1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.882 -4.407 -2.742 1.00 0.00 H new ATOM 553 N VAL A 38 -9.851 -1.622 1.506 1.00 0.00 N ATOM 554 CA VAL A 38 -9.530 -2.512 2.608 1.00 0.00 C ATOM 555 C VAL A 38 -8.498 -1.841 3.517 1.00 0.00 C ATOM 556 O VAL A 38 -8.778 -1.568 4.684 1.00 0.00 O ATOM 557 CB VAL A 38 -9.060 -3.865 2.068 1.00 0.00 C ATOM 558 CG1 VAL A 38 -8.822 -4.858 3.208 1.00 0.00 C ATOM 559 CG2 VAL A 38 -10.057 -4.425 1.052 1.00 0.00 C ATOM 0 H VAL A 38 -9.369 -1.834 0.632 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.417 -2.707 3.211 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.110 -3.710 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.489 -5.811 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.058 -4.465 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.749 -5.006 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.700 -5.387 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.028 -4.557 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.155 -3.731 0.218 1.00 0.00 H new ATOM 569 N VAL A 39 -7.327 -1.594 2.948 1.00 0.00 N ATOM 570 CA VAL A 39 -6.253 -0.959 3.693 1.00 0.00 C ATOM 571 C VAL A 39 -6.773 0.329 4.333 1.00 0.00 C ATOM 572 O VAL A 39 -6.654 0.517 5.543 1.00 0.00 O ATOM 573 CB VAL A 39 -5.048 -0.728 2.778 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.925 -0.003 3.523 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.550 -2.047 2.184 1.00 0.00 C ATOM 0 H VAL A 39 -7.099 -1.822 1.980 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.913 -1.608 4.500 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.370 -0.090 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.081 0.149 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.287 0.963 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.607 -0.604 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.693 -1.855 1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.254 -2.720 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.348 -2.508 1.601 1.00 0.00 H new ATOM 585 N ALA A 40 -7.339 1.183 3.493 1.00 0.00 N ATOM 586 CA ALA A 40 -7.878 2.448 3.962 1.00 0.00 C ATOM 587 C ALA A 40 -8.486 2.255 5.353 1.00 0.00 C ATOM 588 O ALA A 40 -8.215 3.033 6.266 1.00 0.00 O ATOM 589 CB ALA A 40 -8.896 2.976 2.949 1.00 0.00 C ATOM 0 H ALA A 40 -7.436 1.024 2.490 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.087 3.193 4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.301 3.925 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.408 3.124 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.706 2.255 2.838 1.00 0.00 H new ATOM 595 N GLU A 41 -9.296 1.213 5.470 1.00 0.00 N ATOM 596 CA GLU A 41 -9.944 0.907 6.734 1.00 0.00 C ATOM 597 C GLU A 41 -8.934 0.314 7.718 1.00 0.00 C ATOM 598 O GLU A 41 -8.831 0.769 8.857 1.00 0.00 O ATOM 599 CB GLU A 41 -11.129 -0.038 6.528 1.00 0.00 C ATOM 600 CG GLU A 41 -11.983 0.405 5.338 1.00 0.00 C ATOM 601 CD GLU A 41 -13.316 0.990 5.808 1.00 0.00 C ATOM 602 OE1 GLU A 41 -14.239 0.182 6.046 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.383 2.234 5.917 1.00 0.00 O ATOM 0 H GLU A 41 -9.518 0.570 4.710 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.331 1.835 7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.765 -1.052 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.740 -0.062 7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.441 1.149 4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.166 -0.445 4.681 1.00 0.00 H new ATOM 610 N LYS A 42 -8.215 -0.692 7.244 1.00 0.00 N ATOM 611 CA LYS A 42 -7.217 -1.352 8.068 1.00 0.00 C ATOM 612 C LYS A 42 -6.347 -0.296 8.753 1.00 0.00 C ATOM 613 O LYS A 42 -5.771 -0.551 9.810 1.00 0.00 O ATOM 614 CB LYS A 42 -6.420 -2.362 7.240 1.00 0.00 C ATOM 615 CG LYS A 42 -6.796 -3.797 7.613 1.00 0.00 C ATOM 616 CD LYS A 42 -8.299 -4.031 7.447 1.00 0.00 C ATOM 617 CE LYS A 42 -8.687 -4.074 5.968 1.00 0.00 C ATOM 618 NZ LYS A 42 -10.041 -3.511 5.771 1.00 0.00 N ATOM 0 H LYS A 42 -8.304 -1.066 6.299 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.698 -1.930 8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.609 -2.197 6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.353 -2.208 7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.244 -4.496 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.505 -3.997 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.580 -4.968 7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.852 -3.237 7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.963 -3.510 5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.658 -5.103 5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.632 -4.199 5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.469 -3.304 6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.975 -2.634 5.216 1.00 0.00 H new ATOM 632 N ILE A 43 -6.281 0.868 8.124 1.00 0.00 N ATOM 633 CA ILE A 43 -5.491 1.964 8.660 1.00 0.00 C ATOM 634 C ILE A 43 -6.429 3.045 9.201 1.00 0.00 C ATOM 635 O ILE A 43 -6.041 3.834 10.061 1.00 0.00 O ATOM 636 CB ILE A 43 -4.503 2.476 7.610 1.00 0.00 C ATOM 637 CG1 ILE A 43 -5.154 3.533 6.714 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.917 1.319 6.798 1.00 0.00 C ATOM 639 CD1 ILE A 43 -4.108 4.231 5.842 1.00 0.00 C ATOM 0 H ILE A 43 -6.761 1.076 7.249 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.882 1.622 9.497 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.674 2.958 8.128 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.907 3.064 6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.670 4.270 7.330 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.218 1.711 6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.394 0.634 7.465 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.721 0.787 6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.596 4.977 5.215 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.370 4.719 6.479 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.611 3.495 5.210 1.00 0.00 H new ATOM 651 N GLN A 44 -7.645 3.047 8.674 1.00 0.00 N ATOM 652 CA GLN A 44 -8.641 4.018 9.093 1.00 0.00 C ATOM 653 C GLN A 44 -8.413 5.353 8.382 1.00 0.00 C ATOM 654 O GLN A 44 -8.248 6.386 9.029 1.00 0.00 O ATOM 655 CB GLN A 44 -8.626 4.197 10.613 1.00 0.00 C ATOM 656 CG GLN A 44 -8.559 2.844 11.324 1.00 0.00 C ATOM 657 CD GLN A 44 -8.882 2.990 12.812 1.00 0.00 C ATOM 658 OE1 GLN A 44 -9.865 3.598 13.203 1.00 0.00 O ATOM 659 NE2 GLN A 44 -8.003 2.400 13.617 1.00 0.00 N ATOM 0 H GLN A 44 -7.963 2.391 7.960 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.626 3.643 8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.770 4.807 10.902 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.521 4.734 10.928 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.262 2.151 10.862 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.564 2.415 11.205 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.201 1.907 13.223 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.130 2.440 14.628 1.00 0.00 H new ATOM 668 N TYR A 45 -8.410 5.289 7.058 1.00 0.00 N ATOM 669 CA TYR A 45 -8.205 6.480 6.252 1.00 0.00 C ATOM 670 C TYR A 45 -9.172 6.513 5.067 1.00 0.00 C ATOM 671 O TYR A 45 -10.191 5.824 5.073 1.00 0.00 O ATOM 672 CB TYR A 45 -6.772 6.390 5.723 1.00 0.00 C ATOM 673 CG TYR A 45 -5.832 7.458 6.286 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.175 7.239 7.480 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.642 8.641 5.601 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.291 8.244 8.010 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.758 9.646 6.131 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.126 9.398 7.309 1.00 0.00 C ATOM 679 OH TYR A 45 -3.291 10.348 7.809 1.00 0.00 O ATOM 0 H TYR A 45 -8.546 4.431 6.524 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.376 7.379 6.845 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.369 5.405 5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.791 6.474 4.636 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.324 6.314 8.017 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.157 8.813 4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.771 8.085 8.943 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.600 10.576 5.605 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.270 11.117 7.202 1.00 0.00 H new ATOM 689 N ALA A 46 -8.818 7.321 4.078 1.00 0.00 N ATOM 690 CA ALA A 46 -9.642 7.452 2.888 1.00 0.00 C ATOM 691 C ALA A 46 -8.844 6.992 1.667 1.00 0.00 C ATOM 692 O ALA A 46 -7.914 7.672 1.236 1.00 0.00 O ATOM 693 CB ALA A 46 -10.124 8.899 2.758 1.00 0.00 C ATOM 0 H ALA A 46 -7.972 7.891 4.076 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.526 6.819 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.742 8.998 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.710 9.168 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.264 9.563 2.679 1.00 0.00 H new ATOM 699 N GLU A 47 -9.236 5.840 1.143 1.00 0.00 N ATOM 700 CA GLU A 47 -8.569 5.280 -0.020 1.00 0.00 C ATOM 701 C GLU A 47 -8.378 6.356 -1.091 1.00 0.00 C ATOM 702 O GLU A 47 -7.333 6.415 -1.737 1.00 0.00 O ATOM 703 CB GLU A 47 -9.346 4.085 -0.576 1.00 0.00 C ATOM 704 CG GLU A 47 -10.852 4.356 -0.561 1.00 0.00 C ATOM 705 CD GLU A 47 -11.542 3.555 0.546 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.051 3.634 1.693 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.544 2.884 0.220 1.00 0.00 O ATOM 0 H GLU A 47 -10.008 5.279 1.503 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.587 4.921 0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.020 3.877 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.127 3.197 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.032 5.420 -0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.282 4.093 -1.527 1.00 0.00 H new ATOM 714 N GLU A 48 -9.404 7.181 -1.246 1.00 0.00 N ATOM 715 CA GLU A 48 -9.362 8.251 -2.227 1.00 0.00 C ATOM 716 C GLU A 48 -8.198 9.199 -1.930 1.00 0.00 C ATOM 717 O GLU A 48 -7.703 9.881 -2.826 1.00 0.00 O ATOM 718 CB GLU A 48 -10.690 9.010 -2.268 1.00 0.00 C ATOM 719 CG GLU A 48 -10.837 9.925 -1.051 1.00 0.00 C ATOM 720 CD GLU A 48 -12.309 10.229 -0.768 1.00 0.00 C ATOM 721 OE1 GLU A 48 -13.112 9.274 -0.848 1.00 0.00 O ATOM 722 OE2 GLU A 48 -12.599 11.410 -0.478 1.00 0.00 O ATOM 0 H GLU A 48 -10.269 7.129 -0.708 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.203 7.809 -3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.746 9.602 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.517 8.301 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.386 9.452 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.297 10.856 -1.224 1.00 0.00 H new ATOM 729 N ASP A 49 -7.795 9.211 -0.667 1.00 0.00 N ATOM 730 CA ASP A 49 -6.699 10.064 -0.240 1.00 0.00 C ATOM 731 C ASP A 49 -5.414 9.236 -0.164 1.00 0.00 C ATOM 732 O ASP A 49 -4.331 9.782 0.044 1.00 0.00 O ATOM 733 CB ASP A 49 -6.966 10.651 1.147 1.00 0.00 C ATOM 734 CG ASP A 49 -8.194 11.558 1.240 1.00 0.00 C ATOM 735 OD1 ASP A 49 -9.242 11.153 0.692 1.00 0.00 O ATOM 736 OD2 ASP A 49 -8.058 12.637 1.857 1.00 0.00 O ATOM 0 H ASP A 49 -8.208 8.644 0.073 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.602 10.875 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.084 9.831 1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.089 11.218 1.460 1.00 0.00 H new ATOM 741 N LEU A 50 -5.577 7.933 -0.338 1.00 0.00 N ATOM 742 CA LEU A 50 -4.444 7.025 -0.291 1.00 0.00 C ATOM 743 C LEU A 50 -4.113 6.555 -1.710 1.00 0.00 C ATOM 744 O LEU A 50 -4.772 6.955 -2.669 1.00 0.00 O ATOM 745 CB LEU A 50 -4.714 5.880 0.688 1.00 0.00 C ATOM 746 CG LEU A 50 -4.862 6.277 2.158 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.179 5.057 3.026 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.621 7.024 2.652 1.00 0.00 C ATOM 0 H LEU A 50 -6.476 7.484 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.561 7.538 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.625 5.369 0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.900 5.159 0.607 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.706 6.962 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.279 5.367 4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.112 4.604 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.372 4.330 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.752 7.295 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.746 6.383 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.480 7.927 2.059 1.00 0.00 H new ATOM 760 N ALA A 51 -3.094 5.713 -1.798 1.00 0.00 N ATOM 761 CA ALA A 51 -2.669 5.185 -3.083 1.00 0.00 C ATOM 762 C ALA A 51 -1.584 4.130 -2.861 1.00 0.00 C ATOM 763 O ALA A 51 -0.747 4.271 -1.971 1.00 0.00 O ATOM 764 CB ALA A 51 -2.192 6.334 -3.974 1.00 0.00 C ATOM 0 H ALA A 51 -2.550 5.383 -1.000 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.501 4.700 -3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.873 5.938 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.008 7.041 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.355 6.842 -3.495 1.00 0.00 H new ATOM 770 N LEU A 52 -1.632 3.095 -3.687 1.00 0.00 N ATOM 771 CA LEU A 52 -0.664 2.015 -3.593 1.00 0.00 C ATOM 772 C LEU A 52 0.626 2.430 -4.304 1.00 0.00 C ATOM 773 O LEU A 52 0.628 2.648 -5.515 1.00 0.00 O ATOM 774 CB LEU A 52 -1.264 0.710 -4.118 1.00 0.00 C ATOM 775 CG LEU A 52 -2.544 0.234 -3.427 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.473 0.473 -1.917 1.00 0.00 C ATOM 777 CD2 LEU A 52 -3.779 0.884 -4.053 1.00 0.00 C ATOM 0 H LEU A 52 -2.327 2.981 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.407 1.823 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.472 0.831 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.513 -0.074 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.635 -0.842 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.395 0.126 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.627 -0.075 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.346 1.538 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.675 0.529 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.710 1.967 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.833 0.620 -5.109 1.00 0.00 H new ATOM 789 N VAL A 53 1.691 2.525 -3.522 1.00 0.00 N ATOM 790 CA VAL A 53 2.984 2.909 -4.063 1.00 0.00 C ATOM 791 C VAL A 53 3.929 1.706 -4.016 1.00 0.00 C ATOM 792 O VAL A 53 4.353 1.287 -2.940 1.00 0.00 O ATOM 793 CB VAL A 53 3.526 4.125 -3.308 1.00 0.00 C ATOM 794 CG1 VAL A 53 5.056 4.134 -3.312 1.00 0.00 C ATOM 795 CG2 VAL A 53 2.968 5.425 -3.891 1.00 0.00 C ATOM 0 H VAL A 53 1.685 2.343 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 53 2.889 3.207 -5.107 1.00 0.00 H new ATOM 0 HB VAL A 53 3.194 4.053 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.416 5.008 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.426 3.229 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.417 4.171 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.369 6.274 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.256 5.507 -4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.881 5.421 -3.813 1.00 0.00 H new ATOM 805 N ALA A 54 4.230 1.185 -5.196 1.00 0.00 N ATOM 806 CA ALA A 54 5.117 0.039 -5.304 1.00 0.00 C ATOM 807 C ALA A 54 6.490 0.506 -5.792 1.00 0.00 C ATOM 808 O ALA A 54 6.585 1.254 -6.764 1.00 0.00 O ATOM 809 CB ALA A 54 4.492 -1.005 -6.232 1.00 0.00 C ATOM 0 H ALA A 54 3.875 1.535 -6.086 1.00 0.00 H new ATOM 0 HA ALA A 54 5.256 -0.432 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.157 -1.865 -6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.533 -1.326 -5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.340 -0.569 -7.220 1.00 0.00 H new ATOM 815 N ILE A 55 7.518 0.045 -5.095 1.00 0.00 N ATOM 816 CA ILE A 55 8.881 0.406 -5.446 1.00 0.00 C ATOM 817 C ILE A 55 9.696 -0.867 -5.685 1.00 0.00 C ATOM 818 O ILE A 55 9.353 -1.933 -5.176 1.00 0.00 O ATOM 819 CB ILE A 55 9.481 1.329 -4.383 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.459 2.371 -3.922 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.773 1.977 -4.885 1.00 0.00 C ATOM 822 CD1 ILE A 55 9.152 3.559 -3.251 1.00 0.00 C ATOM 0 H ILE A 55 7.435 -0.575 -4.289 1.00 0.00 H new ATOM 0 HA ILE A 55 8.897 0.975 -6.376 1.00 0.00 H new ATOM 0 HB ILE A 55 9.741 0.725 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.879 2.719 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.757 1.914 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.178 2.628 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.500 1.201 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.562 2.564 -5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.403 4.285 -2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.712 3.211 -2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.835 4.029 -3.959 1.00 0.00 H new ATOM 834 N THR A 56 10.759 -0.713 -6.461 1.00 0.00 N ATOM 835 CA THR A 56 11.625 -1.837 -6.774 1.00 0.00 C ATOM 836 C THR A 56 12.959 -1.704 -6.037 1.00 0.00 C ATOM 837 O THR A 56 13.210 -0.696 -5.378 1.00 0.00 O ATOM 838 CB THR A 56 11.775 -1.908 -8.295 1.00 0.00 C ATOM 839 OG1 THR A 56 12.648 -3.015 -8.506 1.00 0.00 O ATOM 840 CG2 THR A 56 12.544 -0.714 -8.864 1.00 0.00 C ATOM 0 H THR A 56 11.040 0.173 -6.882 1.00 0.00 H new ATOM 0 HA THR A 56 11.193 -2.777 -6.431 1.00 0.00 H new ATOM 0 HB THR A 56 10.788 -1.957 -8.755 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.798 -3.134 -9.467 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.622 -0.814 -9.947 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.016 0.208 -8.622 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.543 -0.684 -8.430 1.00 0.00 H new ATOM 848 N PHE A 57 13.779 -2.736 -6.174 1.00 0.00 N ATOM 849 CA PHE A 57 15.081 -2.747 -5.529 1.00 0.00 C ATOM 850 C PHE A 57 15.809 -1.417 -5.740 1.00 0.00 C ATOM 851 O PHE A 57 16.044 -0.676 -4.787 1.00 0.00 O ATOM 852 CB PHE A 57 15.894 -3.868 -6.180 1.00 0.00 C ATOM 853 CG PHE A 57 16.096 -5.091 -5.283 1.00 0.00 C ATOM 854 CD1 PHE A 57 16.717 -4.957 -4.081 1.00 0.00 C ATOM 855 CD2 PHE A 57 15.655 -6.312 -5.689 1.00 0.00 C ATOM 856 CE1 PHE A 57 16.905 -6.093 -3.249 1.00 0.00 C ATOM 857 CE2 PHE A 57 15.843 -7.447 -4.857 1.00 0.00 C ATOM 858 CZ PHE A 57 16.464 -7.313 -3.654 1.00 0.00 C ATOM 0 H PHE A 57 13.567 -3.570 -6.722 1.00 0.00 H new ATOM 0 HA PHE A 57 14.963 -2.900 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.394 -4.181 -7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.870 -3.476 -6.467 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.067 -3.987 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.162 -6.418 -6.644 1.00 0.00 H new ATOM 0 HE1 PHE A 57 17.399 -5.987 -2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.493 -8.417 -5.179 1.00 0.00 H new ATOM 0 HZ PHE A 57 16.607 -8.176 -3.021 1.00 0.00 H new ATOM 868 N SER A 58 16.145 -1.156 -6.994 1.00 0.00 N ATOM 869 CA SER A 58 16.841 0.071 -7.343 1.00 0.00 C ATOM 870 C SER A 58 16.260 1.245 -6.551 1.00 0.00 C ATOM 871 O SER A 58 16.976 1.908 -5.802 1.00 0.00 O ATOM 872 CB SER A 58 16.751 0.348 -8.845 1.00 0.00 C ATOM 873 OG SER A 58 18.030 0.304 -9.473 1.00 0.00 O ATOM 0 H SER A 58 15.948 -1.773 -7.782 1.00 0.00 H new ATOM 0 HA SER A 58 17.894 -0.048 -7.086 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.093 -0.386 -9.310 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.301 1.327 -9.007 1.00 0.00 H new ATOM 0 HG SER A 58 17.930 0.484 -10.431 1.00 0.00 H new ATOM 879 N GLY A 59 14.968 1.466 -6.745 1.00 0.00 N ATOM 880 CA GLY A 59 14.283 2.548 -6.059 1.00 0.00 C ATOM 881 C GLY A 59 13.504 3.418 -7.047 1.00 0.00 C ATOM 882 O GLY A 59 14.011 4.437 -7.516 1.00 0.00 O ATOM 0 H GLY A 59 14.378 0.914 -7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.601 2.137 -5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.008 3.160 -5.523 1.00 0.00 H new ATOM 886 N GLU A 60 12.285 2.986 -7.335 1.00 0.00 N ATOM 887 CA GLU A 60 11.432 3.712 -8.259 1.00 0.00 C ATOM 888 C GLU A 60 10.002 3.782 -7.718 1.00 0.00 C ATOM 889 O GLU A 60 9.351 2.754 -7.540 1.00 0.00 O ATOM 890 CB GLU A 60 11.461 3.075 -9.649 1.00 0.00 C ATOM 891 CG GLU A 60 12.691 3.532 -10.436 1.00 0.00 C ATOM 892 CD GLU A 60 12.622 3.054 -11.888 1.00 0.00 C ATOM 893 OE1 GLU A 60 12.537 1.821 -12.076 1.00 0.00 O ATOM 894 OE2 GLU A 60 12.657 3.932 -12.777 1.00 0.00 O ATOM 0 H GLU A 60 11.868 2.141 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 60 11.815 4.728 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.468 1.989 -9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.556 3.342 -10.194 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.760 4.620 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.594 3.144 -9.964 1.00 0.00 H new ATOM 901 N LYS A 61 9.556 5.005 -7.472 1.00 0.00 N ATOM 902 CA LYS A 61 8.215 5.223 -6.955 1.00 0.00 C ATOM 903 C LYS A 61 7.198 4.991 -8.074 1.00 0.00 C ATOM 904 O LYS A 61 7.416 5.405 -9.211 1.00 0.00 O ATOM 905 CB LYS A 61 8.110 6.603 -6.304 1.00 0.00 C ATOM 906 CG LYS A 61 8.595 6.564 -4.853 1.00 0.00 C ATOM 907 CD LYS A 61 7.429 6.749 -3.880 1.00 0.00 C ATOM 908 CE LYS A 61 7.922 7.258 -2.524 1.00 0.00 C ATOM 909 NZ LYS A 61 7.946 8.738 -2.504 1.00 0.00 N ATOM 0 H LYS A 61 10.099 5.855 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 61 7.989 4.506 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.703 7.322 -6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.076 6.946 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.090 5.613 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.335 7.348 -4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.710 7.454 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.906 5.802 -3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.271 6.888 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.921 6.869 -2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.283 9.067 -1.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.585 9.085 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.987 9.103 -2.673 1.00 0.00 H new ATOM 923 N HIS A 62 6.109 4.330 -7.712 1.00 0.00 N ATOM 924 CA HIS A 62 5.057 4.038 -8.671 1.00 0.00 C ATOM 925 C HIS A 62 3.712 3.952 -7.947 1.00 0.00 C ATOM 926 O HIS A 62 3.468 3.012 -7.191 1.00 0.00 O ATOM 927 CB HIS A 62 5.384 2.773 -9.467 1.00 0.00 C ATOM 928 CG HIS A 62 5.647 3.021 -10.933 1.00 0.00 C ATOM 929 ND1 HIS A 62 6.595 3.924 -11.382 1.00 0.00 N ATOM 930 CD2 HIS A 62 5.079 2.474 -12.046 1.00 0.00 C ATOM 931 CE1 HIS A 62 6.588 3.914 -12.707 1.00 0.00 C ATOM 932 NE2 HIS A 62 5.647 3.015 -13.117 1.00 0.00 N ATOM 0 H HIS A 62 5.932 3.988 -6.767 1.00 0.00 H new ATOM 0 HA HIS A 62 4.988 4.847 -9.398 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.259 2.295 -9.027 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.556 2.071 -9.371 1.00 0.00 H new ATOM 0 HD1 HIS A 62 7.197 4.499 -10.793 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.299 1.727 -12.054 1.00 0.00 H new ATOM 0 HE1 HIS A 62 7.217 4.512 -13.350 1.00 0.00 H new ATOM 940 N GLU A 63 2.873 4.945 -8.205 1.00 0.00 N ATOM 941 CA GLU A 63 1.559 4.994 -7.587 1.00 0.00 C ATOM 942 C GLU A 63 0.546 4.220 -8.433 1.00 0.00 C ATOM 943 O GLU A 63 -0.612 4.075 -8.044 1.00 0.00 O ATOM 944 CB GLU A 63 1.106 6.439 -7.376 1.00 0.00 C ATOM 945 CG GLU A 63 -0.251 6.491 -6.670 1.00 0.00 C ATOM 946 CD GLU A 63 -1.314 7.122 -7.571 1.00 0.00 C ATOM 947 OE1 GLU A 63 -1.134 8.310 -7.915 1.00 0.00 O ATOM 948 OE2 GLU A 63 -2.283 6.402 -7.895 1.00 0.00 O ATOM 0 H GLU A 63 3.078 5.722 -8.834 1.00 0.00 H new ATOM 0 HA GLU A 63 1.622 4.521 -6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.849 6.974 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.039 6.947 -8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.558 5.483 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.163 7.065 -5.748 1.00 0.00 H new ATOM 955 N LEU A 64 1.019 3.743 -9.575 1.00 0.00 N ATOM 956 CA LEU A 64 0.169 2.987 -10.480 1.00 0.00 C ATOM 957 C LEU A 64 -1.233 3.600 -10.487 1.00 0.00 C ATOM 958 O LEU A 64 -1.398 4.784 -10.197 1.00 0.00 O ATOM 959 CB LEU A 64 0.188 1.501 -10.118 1.00 0.00 C ATOM 960 CG LEU A 64 1.493 0.974 -9.518 1.00 0.00 C ATOM 961 CD1 LEU A 64 1.366 0.789 -8.004 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.937 -0.313 -10.216 1.00 0.00 C ATOM 0 H LEU A 64 1.980 3.865 -9.895 1.00 0.00 H new ATOM 0 HA LEU A 64 0.550 3.048 -11.500 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.618 1.310 -9.410 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.034 0.925 -11.017 1.00 0.00 H new ATOM 0 HG LEU A 64 2.271 1.718 -9.688 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.307 0.414 -7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.130 1.746 -7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.570 0.075 -7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.867 -0.666 -9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.166 -1.075 -10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.095 -0.116 -11.276 1.00 0.00 H new ATOM 974 N GLN A 65 -2.207 2.767 -10.822 1.00 0.00 N ATOM 975 CA GLN A 65 -3.589 3.212 -10.871 1.00 0.00 C ATOM 976 C GLN A 65 -4.447 2.387 -9.910 1.00 0.00 C ATOM 977 O GLN A 65 -4.035 1.315 -9.469 1.00 0.00 O ATOM 978 CB GLN A 65 -4.138 3.139 -12.297 1.00 0.00 C ATOM 979 CG GLN A 65 -3.732 4.373 -13.105 1.00 0.00 C ATOM 980 CD GLN A 65 -4.946 5.004 -13.791 1.00 0.00 C ATOM 981 OE1 GLN A 65 -5.429 4.536 -14.808 1.00 0.00 O ATOM 982 NE2 GLN A 65 -5.409 6.090 -13.178 1.00 0.00 N ATOM 0 H GLN A 65 -2.066 1.786 -11.062 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.626 4.255 -10.556 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.766 2.240 -12.788 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.225 3.060 -12.268 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.261 5.104 -12.447 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.991 4.094 -13.854 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.956 6.428 -12.329 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.217 6.584 -13.557 1.00 0.00 H new ATOM 991 N PRO A 66 -5.655 2.932 -9.606 1.00 0.00 N ATOM 992 CA PRO A 66 -6.575 2.257 -8.705 1.00 0.00 C ATOM 993 C PRO A 66 -7.246 1.068 -9.396 1.00 0.00 C ATOM 994 O PRO A 66 -8.051 0.365 -8.787 1.00 0.00 O ATOM 995 CB PRO A 66 -7.563 3.330 -8.276 1.00 0.00 C ATOM 996 CG PRO A 66 -7.443 4.443 -9.305 1.00 0.00 C ATOM 997 CD PRO A 66 -6.176 4.199 -10.109 1.00 0.00 C ATOM 0 HA PRO A 66 -6.075 1.825 -7.838 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.579 2.935 -8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.332 3.696 -7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.315 4.453 -9.960 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.402 5.415 -8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.389 4.143 -11.176 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.457 5.006 -9.969 1.00 0.00 H new ATOM 1005 N ASN A 67 -6.890 0.880 -10.658 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.448 -0.211 -11.439 1.00 0.00 C ATOM 1007 C ASN A 67 -6.334 -1.197 -11.798 1.00 0.00 C ATOM 1008 O ASN A 67 -6.587 -2.222 -12.429 1.00 0.00 O ATOM 1009 CB ASN A 67 -8.064 0.302 -12.742 1.00 0.00 C ATOM 1010 CG ASN A 67 -7.387 1.596 -13.196 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -6.324 1.595 -13.794 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -8.061 2.699 -12.880 1.00 0.00 N ATOM 0 H ASN A 67 -6.222 1.465 -11.159 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.221 -0.693 -10.841 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.965 -0.456 -13.519 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.131 0.476 -12.600 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.692 3.614 -13.140 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.946 2.630 -12.378 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.125 -0.851 -11.381 1.00 0.00 N ATOM 1020 CA ASP A 68 -3.971 -1.692 -11.651 1.00 0.00 C ATOM 1021 C ASP A 68 -4.021 -2.925 -10.746 1.00 0.00 C ATOM 1022 O ASP A 68 -4.596 -2.878 -9.659 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.667 -0.947 -11.364 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.713 -0.830 -12.555 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -1.254 -1.895 -13.021 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -1.466 0.322 -12.973 1.00 0.00 O ATOM 0 H ASP A 68 -4.919 0.000 -10.858 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.999 -1.976 -12.703 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.909 0.056 -11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.148 -1.454 -10.551 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.411 -3.998 -11.227 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.378 -5.240 -10.474 1.00 0.00 C ATOM 1033 C LEU A 69 -2.368 -5.114 -9.332 1.00 0.00 C ATOM 1034 O LEU A 69 -1.334 -4.464 -9.483 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.108 -6.424 -11.405 1.00 0.00 C ATOM 1036 CG LEU A 69 -4.278 -6.863 -12.288 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -3.958 -8.172 -13.012 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -5.572 -6.958 -11.477 1.00 0.00 C ATOM 0 H LEU A 69 -2.936 -4.033 -12.129 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.350 -5.435 -10.020 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.267 -6.169 -12.050 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.797 -7.275 -10.798 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.433 -6.102 -13.053 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.806 -8.461 -13.633 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.078 -8.034 -13.641 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.761 -8.954 -12.279 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.388 -7.272 -12.129 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.447 -7.686 -10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.805 -5.983 -11.048 1.00 0.00 H new ATOM 1050 N VAL A 70 -2.702 -5.744 -8.216 1.00 0.00 N ATOM 1051 CA VAL A 70 -1.837 -5.710 -7.049 1.00 0.00 C ATOM 1052 C VAL A 70 -1.189 -7.083 -6.859 1.00 0.00 C ATOM 1053 O VAL A 70 -0.714 -7.404 -5.771 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.629 -5.248 -5.824 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.488 -3.739 -5.617 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.100 -5.651 -5.938 1.00 0.00 C ATOM 0 H VAL A 70 -3.560 -6.281 -8.095 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.033 -4.988 -7.191 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.212 -5.746 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.061 -3.437 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.438 -3.489 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.865 -3.215 -6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.640 -5.311 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.534 -5.194 -6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.175 -6.736 -6.014 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.191 -7.856 -7.935 1.00 0.00 N ATOM 1067 CA ILE A 71 -0.610 -9.188 -7.901 1.00 0.00 C ATOM 1068 C ILE A 71 0.434 -9.312 -9.013 1.00 0.00 C ATOM 1069 O ILE A 71 1.631 -9.382 -8.740 1.00 0.00 O ATOM 1070 CB ILE A 71 -1.706 -10.253 -7.965 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -2.547 -10.251 -6.687 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -1.113 -11.633 -8.259 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -3.914 -9.608 -6.931 1.00 0.00 C ATOM 0 H ILE A 71 -1.586 -7.586 -8.836 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.092 -9.354 -6.956 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.374 -10.007 -8.791 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.680 -11.273 -6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.021 -9.708 -5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.913 -12.372 -8.299 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.593 -11.609 -9.217 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.410 -11.902 -7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.492 -9.619 -6.007 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.778 -8.578 -7.261 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.447 -10.168 -7.699 1.00 0.00 H new ATOM 1085 N SER A 72 -0.058 -9.335 -10.243 1.00 0.00 N ATOM 1086 CA SER A 72 0.817 -9.450 -11.397 1.00 0.00 C ATOM 1087 C SER A 72 1.965 -10.415 -11.090 1.00 0.00 C ATOM 1088 O SER A 72 3.133 -10.037 -11.160 1.00 0.00 O ATOM 1089 CB SER A 72 1.369 -8.083 -11.808 1.00 0.00 C ATOM 1090 OG SER A 72 2.450 -7.672 -10.977 1.00 0.00 O ATOM 0 H SER A 72 -1.052 -9.276 -10.465 1.00 0.00 H new ATOM 0 HA SER A 72 0.234 -9.842 -12.230 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.704 -8.124 -12.844 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.572 -7.341 -11.760 1.00 0.00 H new ATOM 0 HG SER A 72 3.157 -8.350 -11.001 1.00 0.00 H new ATOM 1096 N LYS A 73 1.591 -11.641 -10.756 1.00 0.00 N ATOM 1097 CA LYS A 73 2.574 -12.663 -10.438 1.00 0.00 C ATOM 1098 C LYS A 73 3.586 -12.763 -11.580 1.00 0.00 C ATOM 1099 O LYS A 73 3.296 -13.348 -12.623 1.00 0.00 O ATOM 1100 CB LYS A 73 1.883 -13.988 -10.110 1.00 0.00 C ATOM 1101 CG LYS A 73 2.090 -14.366 -8.642 1.00 0.00 C ATOM 1102 CD LYS A 73 2.234 -15.881 -8.481 1.00 0.00 C ATOM 1103 CE LYS A 73 3.587 -16.241 -7.865 1.00 0.00 C ATOM 1104 NZ LYS A 73 4.653 -16.190 -8.889 1.00 0.00 N ATOM 0 H LYS A 73 0.621 -11.950 -10.699 1.00 0.00 H new ATOM 0 HA LYS A 73 3.131 -12.391 -9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.817 -13.908 -10.322 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.277 -14.776 -10.751 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.981 -13.869 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.246 -14.012 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.431 -16.261 -7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.132 -16.365 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.820 -15.550 -7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.541 -17.239 -7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.565 -16.437 -8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.437 -16.867 -9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.708 -15.230 -9.286 1.00 0.00 H new ATOM 1118 N SER A 74 4.755 -12.184 -11.346 1.00 0.00 N ATOM 1119 CA SER A 74 5.812 -12.201 -12.343 1.00 0.00 C ATOM 1120 C SER A 74 6.795 -13.334 -12.043 1.00 0.00 C ATOM 1121 O SER A 74 6.475 -14.258 -11.297 1.00 0.00 O ATOM 1122 CB SER A 74 6.546 -10.859 -12.390 1.00 0.00 C ATOM 1123 OG SER A 74 5.945 -9.891 -11.534 1.00 0.00 O ATOM 0 H SER A 74 4.993 -11.700 -10.480 1.00 0.00 H new ATOM 0 HA SER A 74 5.359 -12.371 -13.320 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.586 -11.004 -12.099 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.551 -10.484 -13.414 1.00 0.00 H new ATOM 0 HG SER A 74 4.969 -9.955 -11.602 1.00 0.00 H new ATOM 1129 N LEU A 75 7.973 -13.225 -12.640 1.00 0.00 N ATOM 1130 CA LEU A 75 9.006 -14.229 -12.446 1.00 0.00 C ATOM 1131 C LEU A 75 10.358 -13.536 -12.265 1.00 0.00 C ATOM 1132 O LEU A 75 11.320 -13.854 -12.961 1.00 0.00 O ATOM 1133 CB LEU A 75 8.984 -15.247 -13.588 1.00 0.00 C ATOM 1134 CG LEU A 75 9.040 -14.668 -15.003 1.00 0.00 C ATOM 1135 CD1 LEU A 75 9.765 -15.620 -15.957 1.00 0.00 C ATOM 1136 CD2 LEU A 75 7.640 -14.310 -15.505 1.00 0.00 C ATOM 0 H LEU A 75 8.235 -12.457 -13.258 1.00 0.00 H new ATOM 0 HA LEU A 75 8.817 -14.800 -11.537 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.828 -15.925 -13.460 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.078 -15.846 -13.497 1.00 0.00 H new ATOM 0 HG LEU A 75 9.617 -13.744 -14.971 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.791 -15.184 -16.956 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.784 -15.781 -15.605 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.237 -16.573 -15.990 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.709 -13.901 -16.513 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.018 -15.205 -15.518 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.194 -13.569 -14.842 1.00 0.00 H new ATOM 1148 N GLU A 76 10.386 -12.601 -11.326 1.00 0.00 N ATOM 1149 CA GLU A 76 11.604 -11.860 -11.045 1.00 0.00 C ATOM 1150 C GLU A 76 11.516 -11.196 -9.670 1.00 0.00 C ATOM 1151 O GLU A 76 11.360 -9.980 -9.573 1.00 0.00 O ATOM 1152 CB GLU A 76 11.881 -10.825 -12.137 1.00 0.00 C ATOM 1153 CG GLU A 76 13.016 -11.286 -13.054 1.00 0.00 C ATOM 1154 CD GLU A 76 13.856 -10.097 -13.527 1.00 0.00 C ATOM 1155 OE1 GLU A 76 14.295 -9.327 -12.646 1.00 0.00 O ATOM 1156 OE2 GLU A 76 14.040 -9.986 -14.758 1.00 0.00 O ATOM 0 H GLU A 76 9.585 -12.340 -10.751 1.00 0.00 H new ATOM 0 HA GLU A 76 12.438 -12.561 -11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.978 -10.661 -12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.142 -9.870 -11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.651 -11.996 -12.524 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.602 -11.809 -13.916 1.00 0.00 H new ATOM 1163 N ALA A 77 11.619 -12.024 -8.640 1.00 0.00 N ATOM 1164 CA ALA A 77 11.553 -11.532 -7.275 1.00 0.00 C ATOM 1165 C ALA A 77 10.234 -10.783 -7.071 1.00 0.00 C ATOM 1166 O ALA A 77 9.446 -10.641 -8.004 1.00 0.00 O ATOM 1167 CB ALA A 77 12.773 -10.654 -6.988 1.00 0.00 C ATOM 0 H ALA A 77 11.748 -13.032 -8.724 1.00 0.00 H new ATOM 0 HA ALA A 77 11.575 -12.361 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.723 -10.285 -5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.682 -11.241 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.784 -9.810 -7.677 1.00 0.00 H new ATOM 1173 N SER A 78 10.036 -10.323 -5.844 1.00 0.00 N ATOM 1174 CA SER A 78 8.826 -9.592 -5.506 1.00 0.00 C ATOM 1175 C SER A 78 9.188 -8.241 -4.885 1.00 0.00 C ATOM 1176 O SER A 78 10.175 -8.132 -4.159 1.00 0.00 O ATOM 1177 CB SER A 78 7.946 -10.397 -4.549 1.00 0.00 C ATOM 1178 OG SER A 78 6.719 -9.730 -4.263 1.00 0.00 O ATOM 0 H SER A 78 10.692 -10.442 -5.072 1.00 0.00 H new ATOM 0 HA SER A 78 8.260 -9.424 -6.422 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.735 -11.373 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.488 -10.573 -3.620 1.00 0.00 H new ATOM 0 HG SER A 78 6.185 -10.277 -3.650 1.00 0.00 H new ATOM 1184 N GLY A 79 8.369 -7.246 -5.192 1.00 0.00 N ATOM 1185 CA GLY A 79 8.590 -5.907 -4.673 1.00 0.00 C ATOM 1186 C GLY A 79 7.812 -5.687 -3.374 1.00 0.00 C ATOM 1187 O GLY A 79 7.247 -6.627 -2.817 1.00 0.00 O ATOM 0 H GLY A 79 7.551 -7.340 -5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.654 -5.754 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.282 -5.170 -5.415 1.00 0.00 H new ATOM 1191 N ARG A 80 7.807 -4.439 -2.929 1.00 0.00 N ATOM 1192 CA ARG A 80 7.107 -4.084 -1.706 1.00 0.00 C ATOM 1193 C ARG A 80 6.170 -2.900 -1.955 1.00 0.00 C ATOM 1194 O ARG A 80 6.625 -1.780 -2.183 1.00 0.00 O ATOM 1195 CB ARG A 80 8.092 -3.719 -0.594 1.00 0.00 C ATOM 1196 CG ARG A 80 8.659 -4.976 0.070 1.00 0.00 C ATOM 1197 CD ARG A 80 10.188 -4.987 0.007 1.00 0.00 C ATOM 1198 NE ARG A 80 10.637 -5.505 -1.304 1.00 0.00 N ATOM 1199 CZ ARG A 80 11.904 -5.454 -1.738 1.00 0.00 C ATOM 1200 NH1 ARG A 80 12.855 -4.907 -0.968 1.00 0.00 N ATOM 1201 NH2 ARG A 80 12.220 -5.950 -2.942 1.00 0.00 N ATOM 0 H ARG A 80 8.276 -3.661 -3.393 1.00 0.00 H new ATOM 0 HA ARG A 80 6.527 -4.952 -1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.906 -3.122 -1.006 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.591 -3.103 0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.334 -5.021 1.109 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.265 -5.863 -0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.574 -3.979 0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.589 -5.607 0.809 1.00 0.00 H new ATOM 0 HE ARG A 80 9.939 -5.927 -1.916 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.615 -4.529 -0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.819 -4.868 -1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.496 -6.366 -3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.184 -5.911 -3.272 1.00 0.00 H new ATOM 1215 N ILE A 81 4.878 -3.189 -1.905 1.00 0.00 N ATOM 1216 CA ILE A 81 3.873 -2.162 -2.122 1.00 0.00 C ATOM 1217 C ILE A 81 3.732 -1.316 -0.856 1.00 0.00 C ATOM 1218 O ILE A 81 3.907 -1.818 0.254 1.00 0.00 O ATOM 1219 CB ILE A 81 2.559 -2.790 -2.592 1.00 0.00 C ATOM 1220 CG1 ILE A 81 2.683 -3.316 -4.023 1.00 0.00 C ATOM 1221 CG2 ILE A 81 1.396 -1.807 -2.441 1.00 0.00 C ATOM 1222 CD1 ILE A 81 3.238 -4.742 -4.037 1.00 0.00 C ATOM 0 H ILE A 81 4.504 -4.119 -1.717 1.00 0.00 H new ATOM 0 HA ILE A 81 4.182 -1.489 -2.922 1.00 0.00 H new ATOM 0 HB ILE A 81 2.342 -3.646 -1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.707 -3.297 -4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.337 -2.662 -4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.474 -2.279 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.293 -1.524 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.591 -0.917 -3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.316 -5.092 -5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.225 -4.753 -3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.569 -5.398 -3.480 1.00 0.00 H new ATOM 1234 N TYR A 82 3.416 -0.046 -1.063 1.00 0.00 N ATOM 1235 CA TYR A 82 3.250 0.875 0.048 1.00 0.00 C ATOM 1236 C TYR A 82 2.004 1.743 -0.141 1.00 0.00 C ATOM 1237 O TYR A 82 1.350 1.678 -1.180 1.00 0.00 O ATOM 1238 CB TYR A 82 4.489 1.773 0.041 1.00 0.00 C ATOM 1239 CG TYR A 82 5.804 1.021 0.254 1.00 0.00 C ATOM 1240 CD1 TYR A 82 6.185 0.645 1.526 1.00 0.00 C ATOM 1241 CD2 TYR A 82 6.609 0.718 -0.825 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.423 -0.063 1.727 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.847 0.011 -0.624 1.00 0.00 C ATOM 1244 CZ TYR A 82 8.193 -0.345 0.642 1.00 0.00 C ATOM 1245 OH TYR A 82 9.362 -1.014 0.832 1.00 0.00 O ATOM 0 H TYR A 82 3.271 0.367 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 82 3.135 0.329 0.985 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.535 2.303 -0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.383 2.527 0.821 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.555 0.882 2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.310 1.011 -1.821 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.733 -0.363 2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.487 -0.231 -1.460 1.00 0.00 H new ATOM 0 HH TYR A 82 9.807 -1.147 -0.031 1.00 0.00 H new ATOM 1255 N VAL A 83 1.714 2.536 0.880 1.00 0.00 N ATOM 1256 CA VAL A 83 0.559 3.416 0.840 1.00 0.00 C ATOM 1257 C VAL A 83 0.961 4.803 1.346 1.00 0.00 C ATOM 1258 O VAL A 83 1.581 4.926 2.401 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.596 2.801 1.634 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.093 2.175 2.936 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -1.686 3.839 1.909 1.00 0.00 C ATOM 0 H VAL A 83 2.259 2.587 1.740 1.00 0.00 H new ATOM 0 HA VAL A 83 0.205 3.534 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.035 2.008 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.933 1.745 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.630 1.392 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.383 2.941 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.495 3.376 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.266 4.664 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.075 4.218 0.964 1.00 0.00 H new ATOM 1271 N TYR A 84 0.592 5.811 0.570 1.00 0.00 N ATOM 1272 CA TYR A 84 0.906 7.184 0.927 1.00 0.00 C ATOM 1273 C TYR A 84 -0.358 8.045 0.964 1.00 0.00 C ATOM 1274 O TYR A 84 -1.399 7.648 0.442 1.00 0.00 O ATOM 1275 CB TYR A 84 1.831 7.705 -0.175 1.00 0.00 C ATOM 1276 CG TYR A 84 3.270 7.196 -0.072 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.531 5.843 -0.139 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.308 8.091 0.090 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.885 5.364 -0.042 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.663 7.613 0.187 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.885 6.273 0.116 1.00 0.00 C ATOM 1282 OH TYR A 84 7.164 5.821 0.208 1.00 0.00 O ATOM 0 H TYR A 84 0.078 5.705 -0.305 1.00 0.00 H new ATOM 0 HA TYR A 84 1.365 7.228 1.915 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.423 7.417 -1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.839 8.795 -0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.719 5.142 -0.264 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.104 9.150 0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.102 4.307 -0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.484 8.303 0.313 1.00 0.00 H new ATOM 0 HH TYR A 84 7.255 4.990 -0.304 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.227 9.207 1.586 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.346 10.127 1.698 1.00 0.00 C ATOM 1294 C ARG A 85 -1.320 11.136 0.549 1.00 0.00 C ATOM 1295 O ARG A 85 -0.252 11.582 0.133 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.309 10.879 3.030 1.00 0.00 C ATOM 1297 CG ARG A 85 -1.978 10.064 4.139 1.00 0.00 C ATOM 1298 CD ARG A 85 -0.992 9.766 5.270 1.00 0.00 C ATOM 1299 NE ARG A 85 -0.571 11.028 5.920 1.00 0.00 N ATOM 1300 CZ ARG A 85 0.456 11.126 6.775 1.00 0.00 C ATOM 1301 NH1 ARG A 85 1.173 10.038 7.089 1.00 0.00 N ATOM 1302 NH2 ARG A 85 0.767 12.312 7.316 1.00 0.00 N ATOM 0 H ARG A 85 0.638 9.533 2.018 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.264 9.541 1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.275 11.091 3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.814 11.839 2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.834 10.612 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.360 9.129 3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.456 9.107 6.004 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.121 9.242 4.876 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.095 11.876 5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.937 9.135 6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.955 10.113 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.222 13.140 7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.549 12.386 7.967 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.509 11.468 0.068 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.637 12.417 -1.025 1.00 0.00 C ATOM 1318 C LYS A 86 -3.099 13.766 -0.472 1.00 0.00 C ATOM 1319 O LYS A 86 -4.066 13.833 0.285 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.548 11.855 -2.118 1.00 0.00 C ATOM 1321 CG LYS A 86 -2.831 10.773 -2.928 1.00 0.00 C ATOM 1322 CD LYS A 86 -3.544 10.519 -4.257 1.00 0.00 C ATOM 1323 CE LYS A 86 -2.933 11.364 -5.377 1.00 0.00 C ATOM 1324 NZ LYS A 86 -3.972 12.193 -6.027 1.00 0.00 N ATOM 0 H LYS A 86 -3.393 11.096 0.415 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.671 12.582 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.449 11.439 -1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.866 12.660 -2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.801 11.077 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.790 9.849 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.475 9.462 -4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.604 10.754 -4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.150 12.004 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.463 10.714 -6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.540 12.760 -6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.705 11.576 -6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.402 12.826 -5.323 1.00 0.00 H new ATOM 1338 N ASP A 87 -2.385 14.809 -0.871 1.00 0.00 N ATOM 1339 CA ASP A 87 -2.710 16.153 -0.425 1.00 0.00 C ATOM 1340 C ASP A 87 -2.719 17.097 -1.629 1.00 0.00 C ATOM 1341 O ASP A 87 -3.140 16.715 -2.719 1.00 0.00 O ATOM 1342 CB ASP A 87 -1.672 16.668 0.573 1.00 0.00 C ATOM 1343 CG ASP A 87 -0.302 16.989 -0.028 1.00 0.00 C ATOM 1344 OD1 ASP A 87 0.033 16.353 -1.050 1.00 0.00 O ATOM 1345 OD2 ASP A 87 0.380 17.864 0.550 1.00 0.00 O ATOM 0 H ASP A 87 -1.583 14.750 -1.498 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.688 16.122 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.063 17.567 1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.542 15.922 1.357 1.00 0.00 H new ATOM 1350 N LEU A 88 -2.248 18.313 -1.390 1.00 0.00 N ATOM 1351 CA LEU A 88 -2.196 19.315 -2.441 1.00 0.00 C ATOM 1352 C LEU A 88 -0.828 19.259 -3.126 1.00 0.00 C ATOM 1353 O LEU A 88 -0.293 20.288 -3.536 1.00 0.00 O ATOM 1354 CB LEU A 88 -2.548 20.695 -1.884 1.00 0.00 C ATOM 1355 CG LEU A 88 -3.869 20.791 -1.117 1.00 0.00 C ATOM 1356 CD1 LEU A 88 -5.061 20.552 -2.045 1.00 0.00 C ATOM 1357 CD2 LEU A 88 -3.876 19.842 0.083 1.00 0.00 C ATOM 0 H LEU A 88 -1.899 18.626 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.945 19.105 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.743 21.014 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.579 21.402 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.965 21.804 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.987 20.626 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.062 21.301 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.985 19.558 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.826 19.930 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.747 18.817 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.061 20.103 0.758 1.00 0.00 H new ATOM 1369 N ALA A 89 -0.302 18.047 -3.227 1.00 0.00 N ATOM 1370 CA ALA A 89 0.993 17.844 -3.855 1.00 0.00 C ATOM 1371 C ALA A 89 1.029 16.458 -4.502 1.00 0.00 C ATOM 1372 O ALA A 89 0.978 15.444 -3.809 1.00 0.00 O ATOM 1373 CB ALA A 89 2.099 18.031 -2.815 1.00 0.00 C ATOM 0 H ALA A 89 -0.749 17.196 -2.885 1.00 0.00 H new ATOM 0 HA ALA A 89 1.158 18.580 -4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.070 17.879 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.048 19.040 -2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.968 17.307 -2.011 1.00 0.00 H new ATOM 1379 N ASP A 90 1.116 16.460 -5.824 1.00 0.00 N ATOM 1380 CA ASP A 90 1.160 15.215 -6.573 1.00 0.00 C ATOM 1381 C ASP A 90 2.037 14.207 -5.828 1.00 0.00 C ATOM 1382 O ASP A 90 1.618 13.077 -5.582 1.00 0.00 O ATOM 1383 CB ASP A 90 1.762 15.430 -7.963 1.00 0.00 C ATOM 1384 CG ASP A 90 2.065 14.148 -8.741 1.00 0.00 C ATOM 1385 OD1 ASP A 90 1.098 13.398 -8.997 1.00 0.00 O ATOM 1386 OD2 ASP A 90 3.256 13.947 -9.062 1.00 0.00 O ATOM 0 H ASP A 90 1.157 17.304 -6.396 1.00 0.00 H new ATOM 0 HA ASP A 90 0.139 14.846 -6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.075 16.040 -8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.685 16.001 -7.859 1.00 0.00 H new ATOM 1391 N THR A 91 3.238 14.653 -5.489 1.00 0.00 N ATOM 1392 CA THR A 91 4.177 13.804 -4.777 1.00 0.00 C ATOM 1393 C THR A 91 3.488 13.121 -3.594 1.00 0.00 C ATOM 1394 O THR A 91 2.450 13.584 -3.124 1.00 0.00 O ATOM 1395 CB THR A 91 5.376 14.663 -4.369 1.00 0.00 C ATOM 1396 OG1 THR A 91 5.544 15.565 -5.460 1.00 0.00 O ATOM 1397 CG2 THR A 91 6.683 13.868 -4.338 1.00 0.00 C ATOM 0 H THR A 91 3.582 15.591 -5.694 1.00 0.00 H new ATOM 0 HA THR A 91 4.539 12.996 -5.412 1.00 0.00 H new ATOM 0 HB THR A 91 5.193 15.098 -3.387 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.300 16.161 -5.278 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.501 14.525 -4.043 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.596 13.052 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.884 13.460 -5.329 1.00 0.00 H new ATOM 1405 N LEU A 92 4.095 12.032 -3.145 1.00 0.00 N ATOM 1406 CA LEU A 92 3.553 11.281 -2.026 1.00 0.00 C ATOM 1407 C LEU A 92 4.568 11.276 -0.881 1.00 0.00 C ATOM 1408 O LEU A 92 5.768 11.133 -1.111 1.00 0.00 O ATOM 1409 CB LEU A 92 3.127 9.882 -2.475 1.00 0.00 C ATOM 1410 CG LEU A 92 1.725 9.768 -3.078 1.00 0.00 C ATOM 1411 CD1 LEU A 92 1.497 8.380 -3.678 1.00 0.00 C ATOM 1412 CD2 LEU A 92 0.654 10.130 -2.047 1.00 0.00 C ATOM 0 H LEU A 92 4.957 11.652 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 92 2.649 11.759 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.847 9.523 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.187 9.213 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 92 1.644 10.488 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.493 8.326 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.231 8.198 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.604 7.625 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.333 10.041 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.724 9.453 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.806 11.155 -1.709 1.00 0.00 H new ATOM 1424 N ASN A 93 4.049 11.435 0.328 1.00 0.00 N ATOM 1425 CA ASN A 93 4.895 11.451 1.509 1.00 0.00 C ATOM 1426 C ASN A 93 4.692 10.154 2.295 1.00 0.00 C ATOM 1427 O ASN A 93 3.597 9.593 2.301 1.00 0.00 O ATOM 1428 CB ASN A 93 4.536 12.621 2.427 1.00 0.00 C ATOM 1429 CG ASN A 93 5.096 13.937 1.883 1.00 0.00 C ATOM 1430 OD1 ASN A 93 5.772 14.685 2.570 1.00 0.00 O ATOM 1431 ND2 ASN A 93 4.778 14.177 0.614 1.00 0.00 N ATOM 0 H ASN A 93 3.053 11.554 0.515 1.00 0.00 H new ATOM 0 HA ASN A 93 5.930 11.553 1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.453 12.694 2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.932 12.439 3.426 1.00 0.00 H new ATOM 0 HD21 ASN A 93 5.104 15.030 0.159 1.00 0.00 H new ATOM 0 HD22 ASN A 93 4.208 13.508 0.096 1.00 0.00 H new ATOM 1438 N PRO A 94 5.792 9.704 2.955 1.00 0.00 N ATOM 1439 CA PRO A 94 5.745 8.483 3.742 1.00 0.00 C ATOM 1440 C PRO A 94 5.003 8.710 5.061 1.00 0.00 C ATOM 1441 O PRO A 94 4.752 9.850 5.449 1.00 0.00 O ATOM 1442 CB PRO A 94 7.199 8.086 3.939 1.00 0.00 C ATOM 1443 CG PRO A 94 8.014 9.338 3.658 1.00 0.00 C ATOM 1444 CD PRO A 94 7.105 10.342 2.971 1.00 0.00 C ATOM 0 HA PRO A 94 5.192 7.684 3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.372 7.727 4.954 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.478 7.278 3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.408 9.753 4.586 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.870 9.102 3.025 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.079 11.288 3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.450 10.562 1.961 1.00 0.00 H new ATOM 1452 N PHE A 95 4.672 7.605 5.714 1.00 0.00 N ATOM 1453 CA PHE A 95 3.963 7.669 6.981 1.00 0.00 C ATOM 1454 C PHE A 95 4.942 7.793 8.151 1.00 0.00 C ATOM 1455 O PHE A 95 6.149 7.909 7.945 1.00 0.00 O ATOM 1456 CB PHE A 95 3.182 6.361 7.122 1.00 0.00 C ATOM 1457 CG PHE A 95 1.681 6.502 6.857 1.00 0.00 C ATOM 1458 CD1 PHE A 95 1.221 6.586 5.580 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.807 6.542 7.898 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.171 6.717 5.334 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.585 6.672 7.652 1.00 0.00 C ATOM 1462 CZ PHE A 95 -1.045 6.757 6.375 1.00 0.00 C ATOM 0 H PHE A 95 4.882 6.661 5.390 1.00 0.00 H new ATOM 0 HA PHE A 95 3.307 8.539 6.997 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.595 5.626 6.431 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.328 5.969 8.129 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.915 6.553 4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.172 6.475 8.912 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.536 6.785 4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.279 6.703 8.479 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.104 6.856 6.188 1.00 0.00 H new ATOM 1472 N ALA A 96 4.385 7.764 9.352 1.00 0.00 N ATOM 1473 CA ALA A 96 5.193 7.872 10.555 1.00 0.00 C ATOM 1474 C ALA A 96 5.012 6.610 11.401 1.00 0.00 C ATOM 1475 O ALA A 96 4.380 5.650 10.963 1.00 0.00 O ATOM 1476 CB ALA A 96 4.811 9.143 11.315 1.00 0.00 C ATOM 0 H ALA A 96 3.383 7.667 9.518 1.00 0.00 H new ATOM 0 HA ALA A 96 6.250 7.950 10.301 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.417 9.224 12.217 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.986 10.012 10.681 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.757 9.100 11.589 1.00 0.00 H new ATOM 1482 N GLU A 97 5.578 6.653 12.598 1.00 0.00 N ATOM 1483 CA GLU A 97 5.486 5.525 13.510 1.00 0.00 C ATOM 1484 C GLU A 97 6.080 4.271 12.864 1.00 0.00 C ATOM 1485 O GLU A 97 6.376 4.264 11.670 1.00 0.00 O ATOM 1486 CB GLU A 97 4.038 5.285 13.942 1.00 0.00 C ATOM 1487 CG GLU A 97 3.666 6.176 15.129 1.00 0.00 C ATOM 1488 CD GLU A 97 2.451 5.619 15.873 1.00 0.00 C ATOM 1489 OE1 GLU A 97 2.673 4.798 16.788 1.00 0.00 O ATOM 1490 OE2 GLU A 97 1.326 6.027 15.509 1.00 0.00 O ATOM 0 H GLU A 97 6.102 7.451 12.958 1.00 0.00 H new ATOM 0 HA GLU A 97 6.063 5.758 14.405 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.367 5.487 13.107 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.904 4.238 14.213 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.512 6.250 15.812 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.451 7.185 14.777 1.00 0.00 H new ATOM 1497 N ASN A 98 6.238 3.241 13.682 1.00 0.00 N ATOM 1498 CA ASN A 98 6.791 1.985 13.206 1.00 0.00 C ATOM 1499 C ASN A 98 6.305 0.845 14.103 1.00 0.00 C ATOM 1500 O ASN A 98 5.869 1.080 15.229 1.00 0.00 O ATOM 1501 CB ASN A 98 8.320 2.004 13.252 1.00 0.00 C ATOM 1502 CG ASN A 98 8.915 1.640 11.890 1.00 0.00 C ATOM 1503 OD1 ASN A 98 8.249 1.114 11.014 1.00 0.00 O ATOM 1504 ND2 ASN A 98 10.202 1.950 11.762 1.00 0.00 N ATOM 0 H ASN A 98 5.993 3.251 14.672 1.00 0.00 H new ATOM 0 HA ASN A 98 6.463 1.841 12.177 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.666 2.993 13.551 1.00 0.00 H new ATOM 0 HB3 ASN A 98 8.673 1.301 14.007 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.691 1.748 10.890 1.00 0.00 H new ATOM 0 HD22 ASN A 98 10.700 2.390 12.536 1.00 0.00 H new ATOM 1511 N SER A 99 6.395 -0.365 13.571 1.00 0.00 N ATOM 1512 CA SER A 99 5.970 -1.541 14.310 1.00 0.00 C ATOM 1513 C SER A 99 4.461 -1.487 14.557 1.00 0.00 C ATOM 1514 O SER A 99 3.991 -0.696 15.373 1.00 0.00 O ATOM 1515 CB SER A 99 6.722 -1.660 15.637 1.00 0.00 C ATOM 1516 OG SER A 99 7.303 -2.949 15.808 1.00 0.00 O ATOM 0 H SER A 99 6.756 -0.556 12.636 1.00 0.00 H new ATOM 0 HA SER A 99 6.202 -2.423 13.712 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.504 -0.902 15.680 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.037 -1.459 16.461 1.00 0.00 H new ATOM 0 HG SER A 99 7.775 -2.984 16.666 1.00 0.00 H new ATOM 1522 N GLY A 100 3.745 -2.338 13.837 1.00 0.00 N ATOM 1523 CA GLY A 100 2.299 -2.396 13.968 1.00 0.00 C ATOM 1524 C GLY A 100 1.857 -3.730 14.574 1.00 0.00 C ATOM 1525 O GLY A 100 2.650 -4.666 14.670 1.00 0.00 O ATOM 0 H GLY A 100 4.139 -2.993 13.161 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.954 -1.575 14.596 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.836 -2.265 12.990 1.00 0.00 H new ATOM 1529 N PRO A 101 0.559 -3.777 14.976 1.00 0.00 N ATOM 1530 CA PRO A 101 0.002 -4.980 15.569 1.00 0.00 C ATOM 1531 C PRO A 101 -0.254 -6.049 14.504 1.00 0.00 C ATOM 1532 O PRO A 101 -1.279 -6.019 13.824 1.00 0.00 O ATOM 1533 CB PRO A 101 -1.268 -4.523 16.269 1.00 0.00 C ATOM 1534 CG PRO A 101 -1.621 -3.178 15.655 1.00 0.00 C ATOM 1535 CD PRO A 101 -0.410 -2.689 14.878 1.00 0.00 C ATOM 0 HA PRO A 101 0.683 -5.453 16.277 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -2.074 -5.242 16.124 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -1.111 -4.433 17.344 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.484 -3.274 14.996 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -1.891 -2.463 16.432 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.665 -2.478 13.839 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -0.014 -1.767 15.302 1.00 0.00 H new ATOM 1543 N SER A 102 0.694 -6.967 14.393 1.00 0.00 N ATOM 1544 CA SER A 102 0.584 -8.042 13.422 1.00 0.00 C ATOM 1545 C SER A 102 1.410 -9.246 13.880 1.00 0.00 C ATOM 1546 O SER A 102 2.488 -9.084 14.450 1.00 0.00 O ATOM 1547 CB SER A 102 1.040 -7.582 12.036 1.00 0.00 C ATOM 1548 OG SER A 102 2.293 -6.905 12.084 1.00 0.00 O ATOM 0 H SER A 102 1.542 -6.989 14.959 1.00 0.00 H new ATOM 0 HA SER A 102 -0.464 -8.333 13.351 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.119 -8.445 11.375 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.287 -6.921 11.607 1.00 0.00 H new ATOM 0 HG SER A 102 2.550 -6.629 11.180 1.00 0.00 H new ATOM 1554 N SER A 103 0.874 -10.428 13.612 1.00 0.00 N ATOM 1555 CA SER A 103 1.548 -11.659 13.989 1.00 0.00 C ATOM 1556 C SER A 103 1.841 -11.656 15.491 1.00 0.00 C ATOM 1557 O SER A 103 2.769 -10.989 15.944 1.00 0.00 O ATOM 1558 CB SER A 103 2.843 -11.843 13.196 1.00 0.00 C ATOM 1559 OG SER A 103 2.971 -13.166 12.681 1.00 0.00 O ATOM 0 H SER A 103 -0.020 -10.559 13.138 1.00 0.00 H new ATOM 0 HA SER A 103 0.889 -12.495 13.755 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.868 -11.129 12.372 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.696 -11.620 13.837 1.00 0.00 H new ATOM 0 HG SER A 103 3.810 -13.242 12.180 1.00 0.00 H new ATOM 1565 N GLY A 104 1.032 -12.410 16.220 1.00 0.00 N ATOM 1566 CA GLY A 104 1.193 -12.503 17.661 1.00 0.00 C ATOM 1567 C GLY A 104 -0.158 -12.394 18.372 1.00 0.00 C ATOM 1568 O GLY A 104 -1.195 -12.262 17.725 1.00 0.00 O ATOM 0 H GLY A 104 0.263 -12.962 15.840 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.667 -13.450 17.917 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.856 -11.710 18.008 1.00 0.00 H new TER 1572 GLY A 104