USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 679 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 92 HIS : no HD1:sc= -4.92! C(o=-8.9!,f=-6!) USER MOD Set 1.2: A 98 ASN : amide:sc= -3.98! C(o=-8.9!,f=-6!) USER MOD Set 2.1: A 81 ASN : amide:sc= -20.8! C(o=-54!,f=-27!) USER MOD Set 2.2: A 83 ASN : amide:sc= -22! C(o=-54!,f=-24!) USER MOD Set 2.3: A 85 GLN : amide:sc= -10.8! K(o=-54!,f=-27) USER MOD Set 3.1: A 27 HIS : no HD1:sc= -10.5! C(o=-13!,f=-18!) USER MOD Set 3.2: A 57 TYR OH : rot -70:sc= -2.9! USER MOD Set 4.1: A 9 ASN : amide:sc= -17.6! C(o=-27!,f=-29!) USER MOD Set 4.2: A 11 TYR OH : rot 31:sc= -9.22! USER MOD Set 5.1: A 6 CYS SG : rot -33:sc= -25.4! USER MOD Set 5.2: A 103 CYS SG : rot -167:sc= -36.8! USER MOD Set 6.1: A 2 CYS SG : rot 180:sc= 0.0221 USER MOD Set 6.2: A 10 CYS SG : rot 180:sc= -8.16! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -84:sc= -0.798! USER MOD Single : A 8 SER OG : rot 65:sc= 0.954 USER MOD Single : A 12 SER OG : rot 180:sc= 0.19 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -21.6! C(o=-22!,f=-28!) USER MOD Single : A 24 TYR OH : rot 49:sc= 0.675 USER MOD Single : A 25 LYS NZ :NH3+ -167:sc=-0.00333 (180deg=-0.138) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.96! C(o=-3!,f=-4.7!) USER MOD Single : A 37 SER OG : rot 55:sc= 0.704 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -8.1! C(o=-8.1!,f=-12!) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0202) USER MOD Single : A 42 TYR OH : rot 39:sc= -4.26! USER MOD Single : A 43 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.11) USER MOD Single : A 44 ASN : amide:sc= -2.62 K(o=-2.6,f=-0.8) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -31:sc= 1.19 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -8.08! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 51:sc= 0.133 USER MOD Single : A 84 ASN : amide:sc= -15.2! C(o=-15!,f=-7.7!) USER MOD Single : A 91 THR OG1 : rot 163:sc= -0.647 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -57:sc= 1.15 USER MOD Single : A 99 ASN : amide:sc= -21.2! C(o=-21!,f=-18!) USER MOD Single : A 104 THR OG1 : rot -8:sc= 0.659 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.287 -16.937 -5.515 1.00 0.00 N ATOM 2 CA ALA A 1 -6.967 -15.793 -6.351 1.00 0.00 C ATOM 3 C ALA A 1 -5.981 -14.886 -5.612 1.00 0.00 C ATOM 4 O ALA A 1 -6.331 -14.270 -4.607 1.00 0.00 O ATOM 5 CB ALA A 1 -8.257 -15.063 -6.732 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.957 -17.556 -6.015 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.417 -17.467 -5.304 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.716 -16.608 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.489 -16.115 -7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.017 -14.204 -7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.911 -15.742 -7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.763 -14.722 -5.829 1.00 0.00 H new ATOM 11 N CYS A 2 -4.766 -14.833 -6.138 1.00 0.00 N ATOM 12 CA CYS A 2 -3.726 -14.012 -5.541 1.00 0.00 C ATOM 13 C CYS A 2 -3.503 -12.792 -6.437 1.00 0.00 C ATOM 14 O CYS A 2 -2.406 -12.590 -6.953 1.00 0.00 O ATOM 15 CB CYS A 2 -2.435 -14.805 -5.324 1.00 0.00 C ATOM 16 SG CYS A 2 -2.522 -16.565 -5.819 1.00 0.00 S ATOM 0 H CYS A 2 -4.478 -15.346 -6.972 1.00 0.00 H new ATOM 0 HA CYS A 2 -4.043 -13.681 -4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -1.632 -14.324 -5.883 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -2.166 -14.752 -4.269 1.00 0.00 H new ATOM 0 HG CYS A 2 -1.376 -17.136 -5.594 1.00 0.00 H new ATOM 21 N ASP A 3 -4.562 -12.012 -6.593 1.00 0.00 N ATOM 22 CA ASP A 3 -4.496 -10.817 -7.418 1.00 0.00 C ATOM 23 C ASP A 3 -3.150 -10.125 -7.196 1.00 0.00 C ATOM 24 O ASP A 3 -2.631 -9.465 -8.097 1.00 0.00 O ATOM 25 CB ASP A 3 -5.603 -9.828 -7.045 1.00 0.00 C ATOM 26 CG ASP A 3 -7.024 -10.391 -7.120 1.00 0.00 C ATOM 27 OD1 ASP A 3 -7.181 -11.584 -6.778 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.921 -9.617 -7.516 1.00 0.00 O ATOM 0 H ASP A 3 -5.471 -12.184 -6.162 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.617 -11.118 -8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.423 -9.470 -6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.535 -8.964 -7.706 1.00 0.00 H new ATOM 33 N TYR A 4 -2.623 -10.297 -5.994 1.00 0.00 N ATOM 34 CA TYR A 4 -1.346 -9.696 -5.643 1.00 0.00 C ATOM 35 C TYR A 4 -0.491 -10.666 -4.824 1.00 0.00 C ATOM 36 O TYR A 4 -0.796 -10.942 -3.666 1.00 0.00 O ATOM 37 CB TYR A 4 -1.677 -8.475 -4.783 1.00 0.00 C ATOM 38 CG TYR A 4 -2.619 -7.476 -5.458 1.00 0.00 C ATOM 39 CD1 TYR A 4 -2.126 -6.580 -6.384 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.962 -7.470 -5.139 1.00 0.00 C ATOM 41 CE1 TYR A 4 -3.013 -5.639 -7.019 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.849 -6.530 -5.774 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.330 -5.660 -6.682 1.00 0.00 C ATOM 44 OH TYR A 4 -5.168 -4.772 -7.282 1.00 0.00 O ATOM 0 H TYR A 4 -3.056 -10.844 -5.250 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.784 -9.435 -6.540 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.129 -8.812 -3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.750 -7.965 -4.522 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.075 -6.584 -6.633 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.348 -8.170 -4.413 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.640 -4.933 -7.746 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.902 -6.516 -5.535 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.079 -4.903 -6.945 1.00 0.00 H new ATOM 54 N THR A 5 0.565 -11.155 -5.460 1.00 0.00 N ATOM 55 CA THR A 5 1.466 -12.087 -4.805 1.00 0.00 C ATOM 56 C THR A 5 2.873 -11.492 -4.713 1.00 0.00 C ATOM 57 O THR A 5 3.584 -11.416 -5.712 1.00 0.00 O ATOM 58 CB THR A 5 1.414 -13.411 -5.569 1.00 0.00 C ATOM 59 OG1 THR A 5 0.320 -14.108 -4.982 1.00 0.00 O ATOM 60 CG2 THR A 5 2.624 -14.302 -5.278 1.00 0.00 C ATOM 0 H THR A 5 0.816 -10.923 -6.421 1.00 0.00 H new ATOM 0 HA THR A 5 1.160 -12.277 -3.776 1.00 0.00 H new ATOM 0 HB THR A 5 1.359 -13.211 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.623 -14.569 -4.172 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.538 -15.229 -5.845 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.537 -13.782 -5.569 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.660 -14.530 -4.213 1.00 0.00 H new ATOM 68 N CYS A 6 3.231 -11.087 -3.503 1.00 0.00 N ATOM 69 CA CYS A 6 4.540 -10.502 -3.267 1.00 0.00 C ATOM 70 C CYS A 6 5.558 -11.637 -3.137 1.00 0.00 C ATOM 71 O CYS A 6 6.122 -11.851 -2.065 1.00 0.00 O ATOM 72 CB CYS A 6 4.540 -9.592 -2.037 1.00 0.00 C ATOM 73 SG CYS A 6 3.883 -7.910 -2.328 1.00 0.00 S ATOM 0 H CYS A 6 2.637 -11.152 -2.676 1.00 0.00 H new ATOM 0 HA CYS A 6 4.813 -9.865 -4.109 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.951 -10.066 -1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.561 -9.509 -1.664 1.00 0.00 H new ATOM 0 HG CYS A 6 4.170 -7.536 -3.540 1.00 0.00 H new ATOM 78 N GLY A 7 5.761 -12.336 -4.243 1.00 0.00 N ATOM 79 CA GLY A 7 6.700 -13.445 -4.267 1.00 0.00 C ATOM 80 C GLY A 7 6.035 -14.738 -3.791 1.00 0.00 C ATOM 81 O GLY A 7 6.168 -15.780 -4.430 1.00 0.00 O ATOM 0 H GLY A 7 5.291 -12.156 -5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.083 -13.580 -5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.555 -13.216 -3.631 1.00 0.00 H new ATOM 85 N SER A 8 5.333 -14.627 -2.673 1.00 0.00 N ATOM 86 CA SER A 8 4.647 -15.775 -2.105 1.00 0.00 C ATOM 87 C SER A 8 3.513 -15.307 -1.189 1.00 0.00 C ATOM 88 O SER A 8 3.401 -15.760 -0.051 1.00 0.00 O ATOM 89 CB SER A 8 5.618 -16.670 -1.331 1.00 0.00 C ATOM 90 OG SER A 8 5.671 -16.330 0.052 1.00 0.00 O ATOM 0 H SER A 8 5.224 -13.761 -2.146 1.00 0.00 H new ATOM 0 HA SER A 8 4.227 -16.361 -2.923 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.314 -17.711 -1.437 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.615 -16.583 -1.764 1.00 0.00 H new ATOM 0 HG SER A 8 4.799 -16.501 0.464 1.00 0.00 H new ATOM 96 N ASN A 9 2.702 -14.403 -1.721 1.00 0.00 N ATOM 97 CA ASN A 9 1.581 -13.868 -0.966 1.00 0.00 C ATOM 98 C ASN A 9 0.290 -14.087 -1.754 1.00 0.00 C ATOM 99 O ASN A 9 0.271 -14.845 -2.724 1.00 0.00 O ATOM 100 CB ASN A 9 1.744 -12.365 -0.732 1.00 0.00 C ATOM 101 CG ASN A 9 3.126 -12.044 -0.159 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.270 -11.564 0.953 1.00 0.00 O ATOM 103 ND2 ASN A 9 4.131 -12.336 -0.979 1.00 0.00 N ATOM 0 H ASN A 9 2.799 -14.028 -2.665 1.00 0.00 H new ATOM 0 HA ASN A 9 1.545 -14.381 -0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.603 -11.830 -1.671 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.972 -12.015 -0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.093 -12.160 -0.690 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.940 -12.736 -1.897 1.00 0.00 H new ATOM 110 N CYS A 10 -0.759 -13.410 -1.311 1.00 0.00 N ATOM 111 CA CYS A 10 -2.052 -13.522 -1.963 1.00 0.00 C ATOM 112 C CYS A 10 -2.995 -12.488 -1.343 1.00 0.00 C ATOM 113 O CYS A 10 -3.854 -12.834 -0.534 1.00 0.00 O ATOM 114 CB CYS A 10 -2.616 -14.940 -1.863 1.00 0.00 C ATOM 115 SG CYS A 10 -4.152 -15.226 -2.817 1.00 0.00 S ATOM 0 H CYS A 10 -0.740 -12.782 -0.508 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.942 -13.320 -3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.856 -15.643 -2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.809 -15.166 -0.814 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.537 -16.458 -2.660 1.00 0.00 H new ATOM 120 N TYR A 11 -2.801 -11.241 -1.745 1.00 0.00 N ATOM 121 CA TYR A 11 -3.623 -10.155 -1.239 1.00 0.00 C ATOM 122 C TYR A 11 -4.849 -9.935 -2.127 1.00 0.00 C ATOM 123 O TYR A 11 -5.124 -8.812 -2.545 1.00 0.00 O ATOM 124 CB TYR A 11 -2.743 -8.903 -1.286 1.00 0.00 C ATOM 125 CG TYR A 11 -1.303 -9.136 -0.822 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.032 -9.314 0.520 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.278 -9.169 -1.744 1.00 0.00 C ATOM 128 CE1 TYR A 11 0.323 -9.533 0.957 1.00 0.00 C ATOM 129 CE2 TYR A 11 1.077 -9.389 -1.307 1.00 0.00 C ATOM 130 CZ TYR A 11 1.310 -9.560 0.023 1.00 0.00 C ATOM 131 OH TYR A 11 2.589 -9.767 0.436 1.00 0.00 O ATOM 0 H TYR A 11 -2.086 -10.958 -2.416 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.978 -10.379 -0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.728 -8.520 -2.307 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.194 -8.131 -0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.835 -9.289 1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.491 -9.030 -2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.550 -9.673 2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.889 -9.418 -2.018 1.00 0.00 H new ATOM 0 HH TYR A 11 2.587 -10.333 1.236 1.00 0.00 H new ATOM 141 N SER A 12 -5.553 -11.027 -2.388 1.00 0.00 N ATOM 142 CA SER A 12 -6.744 -10.967 -3.219 1.00 0.00 C ATOM 143 C SER A 12 -7.384 -9.581 -3.118 1.00 0.00 C ATOM 144 O SER A 12 -7.245 -8.902 -2.102 1.00 0.00 O ATOM 145 CB SER A 12 -7.751 -12.047 -2.816 1.00 0.00 C ATOM 146 OG SER A 12 -8.806 -11.522 -2.017 1.00 0.00 O ATOM 0 H SER A 12 -5.322 -11.957 -2.039 1.00 0.00 H new ATOM 0 HA SER A 12 -6.449 -11.149 -4.252 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.169 -12.505 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.237 -12.835 -2.265 1.00 0.00 H new ATOM 0 HG SER A 12 -9.428 -12.242 -1.782 1.00 0.00 H new ATOM 152 N SER A 13 -8.073 -9.203 -4.184 1.00 0.00 N ATOM 153 CA SER A 13 -8.735 -7.911 -4.228 1.00 0.00 C ATOM 154 C SER A 13 -9.352 -7.591 -2.865 1.00 0.00 C ATOM 155 O SER A 13 -9.571 -6.427 -2.536 1.00 0.00 O ATOM 156 CB SER A 13 -9.810 -7.879 -5.317 1.00 0.00 C ATOM 157 OG SER A 13 -11.043 -8.431 -4.865 1.00 0.00 O ATOM 0 H SER A 13 -8.187 -9.769 -5.025 1.00 0.00 H new ATOM 0 HA SER A 13 -7.989 -7.154 -4.469 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.970 -6.850 -5.639 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.461 -8.435 -6.187 1.00 0.00 H new ATOM 0 HG SER A 13 -11.704 -8.391 -5.588 1.00 0.00 H new ATOM 163 N SER A 14 -9.612 -8.647 -2.107 1.00 0.00 N ATOM 164 CA SER A 14 -10.199 -8.494 -0.787 1.00 0.00 C ATOM 165 C SER A 14 -9.114 -8.132 0.229 1.00 0.00 C ATOM 166 O SER A 14 -9.397 -7.506 1.249 1.00 0.00 O ATOM 167 CB SER A 14 -10.926 -9.769 -0.356 1.00 0.00 C ATOM 168 OG SER A 14 -11.600 -9.605 0.889 1.00 0.00 O ATOM 0 H SER A 14 -9.427 -9.612 -2.382 1.00 0.00 H new ATOM 0 HA SER A 14 -10.931 -7.688 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.646 -10.053 -1.123 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.209 -10.586 -0.275 1.00 0.00 H new ATOM 0 HG SER A 14 -12.053 -10.440 1.128 1.00 0.00 H new ATOM 174 N ASP A 15 -7.894 -8.542 -0.085 1.00 0.00 N ATOM 175 CA ASP A 15 -6.765 -8.269 0.787 1.00 0.00 C ATOM 176 C ASP A 15 -6.252 -6.851 0.524 1.00 0.00 C ATOM 177 O ASP A 15 -5.601 -6.253 1.378 1.00 0.00 O ATOM 178 CB ASP A 15 -5.615 -9.243 0.522 1.00 0.00 C ATOM 179 CG ASP A 15 -5.535 -10.427 1.488 1.00 0.00 C ATOM 180 OD1 ASP A 15 -6.454 -11.272 1.427 1.00 0.00 O ATOM 181 OD2 ASP A 15 -4.557 -10.460 2.266 1.00 0.00 O ATOM 0 H ASP A 15 -7.663 -9.062 -0.932 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.102 -8.380 1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.711 -9.628 -0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.675 -8.693 0.567 1.00 0.00 H new ATOM 186 N VAL A 16 -6.566 -6.355 -0.664 1.00 0.00 N ATOM 187 CA VAL A 16 -6.147 -5.018 -1.051 1.00 0.00 C ATOM 188 C VAL A 16 -7.036 -3.987 -0.353 1.00 0.00 C ATOM 189 O VAL A 16 -6.591 -3.296 0.562 1.00 0.00 O ATOM 190 CB VAL A 16 -6.160 -4.887 -2.575 1.00 0.00 C ATOM 191 CG1 VAL A 16 -6.028 -3.423 -3.000 1.00 0.00 C ATOM 192 CG2 VAL A 16 -5.063 -5.743 -3.209 1.00 0.00 C ATOM 0 H VAL A 16 -7.105 -6.855 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.122 -4.831 -0.731 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.121 -5.255 -2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.040 -3.357 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.861 -2.849 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.089 -3.018 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.095 -5.631 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.090 -5.420 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.221 -6.789 -2.947 1.00 0.00 H new ATOM 202 N SER A 17 -8.277 -3.915 -0.813 1.00 0.00 N ATOM 203 CA SER A 17 -9.233 -2.980 -0.245 1.00 0.00 C ATOM 204 C SER A 17 -9.100 -2.958 1.279 1.00 0.00 C ATOM 205 O SER A 17 -8.922 -1.896 1.875 1.00 0.00 O ATOM 206 CB SER A 17 -10.664 -3.341 -0.649 1.00 0.00 C ATOM 207 OG SER A 17 -11.563 -2.252 -0.461 1.00 0.00 O ATOM 0 H SER A 17 -8.642 -4.489 -1.573 1.00 0.00 H new ATOM 0 HA SER A 17 -9.015 -1.987 -0.637 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.679 -3.647 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.002 -4.195 -0.062 1.00 0.00 H new ATOM 0 HG SER A 17 -12.465 -2.522 -0.732 1.00 0.00 H new ATOM 213 N THR A 18 -9.192 -4.142 1.866 1.00 0.00 N ATOM 214 CA THR A 18 -9.085 -4.271 3.309 1.00 0.00 C ATOM 215 C THR A 18 -7.876 -3.491 3.827 1.00 0.00 C ATOM 216 O THR A 18 -7.992 -2.714 4.774 1.00 0.00 O ATOM 217 CB THR A 18 -9.037 -5.763 3.648 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.403 -6.122 3.832 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.393 -6.034 5.010 1.00 0.00 C ATOM 0 H THR A 18 -9.339 -5.020 1.369 1.00 0.00 H new ATOM 0 HA THR A 18 -9.950 -3.837 3.810 1.00 0.00 H new ATOM 0 HB THR A 18 -8.483 -6.293 2.873 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.464 -7.075 4.053 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.384 -7.107 5.201 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.370 -5.657 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.965 -5.531 5.790 1.00 0.00 H new ATOM 227 N ALA A 19 -6.742 -3.725 3.183 1.00 0.00 N ATOM 228 CA ALA A 19 -5.512 -3.052 3.566 1.00 0.00 C ATOM 229 C ALA A 19 -5.691 -1.541 3.409 1.00 0.00 C ATOM 230 O ALA A 19 -5.284 -0.771 4.277 1.00 0.00 O ATOM 231 CB ALA A 19 -4.352 -3.593 2.728 1.00 0.00 C ATOM 0 H ALA A 19 -6.649 -4.371 2.399 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.277 -3.248 4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.429 -3.088 3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.248 -4.664 2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.551 -3.412 1.672 1.00 0.00 H new ATOM 237 N GLN A 20 -6.299 -1.163 2.295 1.00 0.00 N ATOM 238 CA GLN A 20 -6.538 0.243 2.012 1.00 0.00 C ATOM 239 C GLN A 20 -7.442 0.854 3.085 1.00 0.00 C ATOM 240 O GLN A 20 -7.056 1.810 3.756 1.00 0.00 O ATOM 241 CB GLN A 20 -7.138 0.428 0.618 1.00 0.00 C ATOM 242 CG GLN A 20 -6.475 -0.510 -0.394 1.00 0.00 C ATOM 243 CD GLN A 20 -7.299 -0.600 -1.679 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.663 -1.669 -2.141 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.572 0.579 -2.230 1.00 0.00 N ATOM 0 H GLN A 20 -6.634 -1.805 1.577 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.581 0.765 2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.210 0.234 0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.011 1.462 0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.472 -0.151 -0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.365 -1.503 0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.237 1.437 -1.791 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.117 0.626 -3.091 1.00 0.00 H new ATOM 254 N ALA A 21 -8.628 0.277 3.211 1.00 0.00 N ATOM 255 CA ALA A 21 -9.591 0.753 4.190 1.00 0.00 C ATOM 256 C ALA A 21 -8.847 1.256 5.428 1.00 0.00 C ATOM 257 O ALA A 21 -9.252 2.240 6.045 1.00 0.00 O ATOM 258 CB ALA A 21 -10.581 -0.366 4.518 1.00 0.00 C ATOM 0 H ALA A 21 -8.944 -0.515 2.652 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.165 1.588 3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.303 -0.009 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.104 -0.666 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.042 -1.221 4.926 1.00 0.00 H new ATOM 264 N ALA A 22 -7.770 0.557 5.756 1.00 0.00 N ATOM 265 CA ALA A 22 -6.965 0.919 6.911 1.00 0.00 C ATOM 266 C ALA A 22 -6.140 2.163 6.581 1.00 0.00 C ATOM 267 O ALA A 22 -6.181 3.152 7.313 1.00 0.00 O ATOM 268 CB ALA A 22 -6.090 -0.270 7.317 1.00 0.00 C ATOM 0 H ALA A 22 -7.436 -0.258 5.242 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.602 1.161 7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.486 0.001 8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.725 -1.120 7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.435 -0.540 6.488 1.00 0.00 H new ATOM 274 N GLY A 23 -5.410 2.076 5.478 1.00 0.00 N ATOM 275 CA GLY A 23 -4.577 3.184 5.043 1.00 0.00 C ATOM 276 C GLY A 23 -5.405 4.459 4.872 1.00 0.00 C ATOM 277 O GLY A 23 -4.990 5.534 5.301 1.00 0.00 O ATOM 0 H GLY A 23 -5.378 1.255 4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.785 3.356 5.772 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.093 2.931 4.100 1.00 0.00 H new ATOM 281 N TYR A 24 -6.560 4.297 4.246 1.00 0.00 N ATOM 282 CA TYR A 24 -7.450 5.421 4.012 1.00 0.00 C ATOM 283 C TYR A 24 -8.063 5.917 5.324 1.00 0.00 C ATOM 284 O TYR A 24 -7.821 7.049 5.738 1.00 0.00 O ATOM 285 CB TYR A 24 -8.566 4.896 3.108 1.00 0.00 C ATOM 286 CG TYR A 24 -9.408 5.994 2.455 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.994 7.310 2.520 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.580 5.671 1.803 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.787 8.344 1.906 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.372 6.705 1.189 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.936 7.990 1.271 1.00 0.00 C ATOM 292 OH TYR A 24 -11.685 8.968 0.691 1.00 0.00 O ATOM 0 H TYR A 24 -6.901 3.403 3.893 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.907 6.253 3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.125 4.277 2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.221 4.251 3.694 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.077 7.564 3.031 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.904 4.642 1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.476 9.377 1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.291 6.465 0.675 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.108 9.541 0.144 1.00 0.00 H new ATOM 302 N LYS A 25 -8.845 5.042 5.942 1.00 0.00 N ATOM 303 CA LYS A 25 -9.493 5.377 7.198 1.00 0.00 C ATOM 304 C LYS A 25 -8.572 6.280 8.019 1.00 0.00 C ATOM 305 O LYS A 25 -8.921 7.419 8.323 1.00 0.00 O ATOM 306 CB LYS A 25 -9.924 4.106 7.933 1.00 0.00 C ATOM 307 CG LYS A 25 -10.600 4.443 9.263 1.00 0.00 C ATOM 308 CD LYS A 25 -11.987 5.046 9.036 1.00 0.00 C ATOM 309 CE LYS A 25 -12.744 5.195 10.357 1.00 0.00 C ATOM 310 NZ LYS A 25 -13.183 3.872 10.854 1.00 0.00 N ATOM 0 H LYS A 25 -9.044 4.103 5.596 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.409 5.939 7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.610 3.535 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.055 3.473 8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.686 3.542 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.981 5.145 9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.890 6.020 8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.556 4.412 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.104 5.674 11.098 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.609 5.843 10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.874 4.001 11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.623 3.338 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.361 3.346 11.214 1.00 0.00 H new ATOM 324 N LEU A 26 -7.410 5.736 8.356 1.00 0.00 N ATOM 325 CA LEU A 26 -6.435 6.479 9.137 1.00 0.00 C ATOM 326 C LEU A 26 -6.059 7.760 8.389 1.00 0.00 C ATOM 327 O LEU A 26 -5.873 8.809 9.004 1.00 0.00 O ATOM 328 CB LEU A 26 -5.237 5.592 9.479 1.00 0.00 C ATOM 329 CG LEU A 26 -4.074 6.283 10.197 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.173 6.090 11.711 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.729 5.808 9.645 1.00 0.00 C ATOM 0 H LEU A 26 -7.123 4.791 8.102 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.862 6.782 10.093 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.586 4.769 10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.859 5.154 8.555 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.141 7.354 10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.335 6.590 12.197 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.109 6.516 12.072 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.145 5.026 11.945 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.920 6.314 10.172 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.637 4.731 9.787 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.670 6.040 8.582 1.00 0.00 H new ATOM 343 N HIS A 27 -5.960 7.633 7.075 1.00 0.00 N ATOM 344 CA HIS A 27 -5.609 8.768 6.237 1.00 0.00 C ATOM 345 C HIS A 27 -6.705 9.832 6.331 1.00 0.00 C ATOM 346 O HIS A 27 -6.417 11.007 6.552 1.00 0.00 O ATOM 347 CB HIS A 27 -5.340 8.320 4.799 1.00 0.00 C ATOM 348 CG HIS A 27 -5.128 9.458 3.831 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.082 10.357 3.949 1.00 0.00 N ATOM 350 CD2 HIS A 27 -5.835 9.833 2.727 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.167 11.230 2.956 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.255 10.904 2.200 1.00 0.00 N ATOM 0 H HIS A 27 -6.117 6.761 6.569 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.682 9.216 6.595 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.459 7.678 4.788 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.179 7.715 4.455 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.718 9.341 2.346 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.493 12.055 2.776 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.571 11.401 1.367 1.00 0.00 H new ATOM 361 N GLU A 28 -7.939 9.382 6.158 1.00 0.00 N ATOM 362 CA GLU A 28 -9.079 10.281 6.220 1.00 0.00 C ATOM 363 C GLU A 28 -9.140 10.967 7.586 1.00 0.00 C ATOM 364 O GLU A 28 -9.668 12.071 7.707 1.00 0.00 O ATOM 365 CB GLU A 28 -10.381 9.536 5.921 1.00 0.00 C ATOM 366 CG GLU A 28 -10.104 8.087 5.518 1.00 0.00 C ATOM 367 CD GLU A 28 -11.391 7.384 5.080 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.419 7.611 5.755 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.318 6.635 4.083 1.00 0.00 O ATOM 0 H GLU A 28 -8.174 8.407 5.975 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.955 11.048 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.025 9.556 6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.919 10.043 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.378 8.064 4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.660 7.551 6.357 1.00 0.00 H new ATOM 376 N ASP A 29 -8.593 10.284 8.580 1.00 0.00 N ATOM 377 CA ASP A 29 -8.579 10.813 9.934 1.00 0.00 C ATOM 378 C ASP A 29 -7.324 11.667 10.130 1.00 0.00 C ATOM 379 O ASP A 29 -7.241 12.447 11.077 1.00 0.00 O ATOM 380 CB ASP A 29 -8.548 9.684 10.966 1.00 0.00 C ATOM 381 CG ASP A 29 -9.914 9.087 11.312 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.916 9.623 10.790 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.926 8.109 12.089 1.00 0.00 O ATOM 0 H ASP A 29 -8.156 9.368 8.475 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.483 11.405 10.074 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.904 8.888 10.592 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.090 10.061 11.881 1.00 0.00 H new ATOM 388 N GLY A 30 -6.379 11.490 9.218 1.00 0.00 N ATOM 389 CA GLY A 30 -5.133 12.235 9.279 1.00 0.00 C ATOM 390 C GLY A 30 -4.214 11.678 10.367 1.00 0.00 C ATOM 391 O GLY A 30 -3.328 12.378 10.855 1.00 0.00 O ATOM 0 H GLY A 30 -6.451 10.842 8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.629 12.188 8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.343 13.286 9.478 1.00 0.00 H new ATOM 395 N GLU A 31 -4.456 10.423 10.716 1.00 0.00 N ATOM 396 CA GLU A 31 -3.661 9.763 11.738 1.00 0.00 C ATOM 397 C GLU A 31 -2.597 8.873 11.091 1.00 0.00 C ATOM 398 O GLU A 31 -2.556 8.738 9.869 1.00 0.00 O ATOM 399 CB GLU A 31 -4.548 8.956 12.687 1.00 0.00 C ATOM 400 CG GLU A 31 -5.354 9.880 13.603 1.00 0.00 C ATOM 401 CD GLU A 31 -4.451 10.537 14.649 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.538 9.834 15.133 1.00 0.00 O ATOM 403 OE2 GLU A 31 -4.694 11.728 14.941 1.00 0.00 O ATOM 0 H GLU A 31 -5.192 9.845 10.309 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.157 10.528 12.328 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.227 8.328 12.110 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.931 8.289 13.289 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.847 10.649 13.008 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.139 9.311 14.101 1.00 0.00 H new ATOM 410 N THR A 32 -1.765 8.289 11.940 1.00 0.00 N ATOM 411 CA THR A 32 -0.705 7.416 11.466 1.00 0.00 C ATOM 412 C THR A 32 -0.772 6.061 12.177 1.00 0.00 C ATOM 413 O THR A 32 -1.658 5.830 12.997 1.00 0.00 O ATOM 414 CB THR A 32 0.629 8.140 11.664 1.00 0.00 C ATOM 415 OG1 THR A 32 0.697 8.365 13.070 1.00 0.00 O ATOM 416 CG2 THR A 32 0.626 9.546 11.061 1.00 0.00 C ATOM 0 H THR A 32 -1.803 8.403 12.953 1.00 0.00 H new ATOM 0 HA THR A 32 -0.818 7.197 10.404 1.00 0.00 H new ATOM 0 HB THR A 32 1.431 7.554 11.215 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.532 8.829 13.287 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.595 10.016 11.229 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.434 9.482 9.990 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.154 10.143 11.534 1.00 0.00 H new ATOM 424 N VAL A 33 0.177 5.202 11.834 1.00 0.00 N ATOM 425 CA VAL A 33 0.237 3.878 12.429 1.00 0.00 C ATOM 426 C VAL A 33 1.686 3.553 12.796 1.00 0.00 C ATOM 427 O VAL A 33 2.569 3.581 11.939 1.00 0.00 O ATOM 428 CB VAL A 33 -0.385 2.850 11.480 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.718 3.354 10.923 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.582 2.493 10.350 1.00 0.00 C ATOM 0 H VAL A 33 0.910 5.397 11.152 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.346 3.846 13.350 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.583 1.943 12.051 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.138 2.605 10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.411 3.535 11.745 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.556 4.282 10.375 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.116 1.761 9.690 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.825 3.391 9.782 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.495 2.072 10.772 1.00 0.00 H new ATOM 440 N GLY A 34 1.887 3.253 14.071 1.00 0.00 N ATOM 441 CA GLY A 34 3.214 2.923 14.562 1.00 0.00 C ATOM 442 C GLY A 34 4.012 4.190 14.880 1.00 0.00 C ATOM 443 O GLY A 34 3.439 5.208 15.266 1.00 0.00 O ATOM 0 H GLY A 34 1.153 3.232 14.779 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.132 2.307 15.457 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.745 2.332 13.816 1.00 0.00 H new ATOM 447 N SER A 35 5.321 4.086 14.706 1.00 0.00 N ATOM 448 CA SER A 35 6.203 5.210 14.970 1.00 0.00 C ATOM 449 C SER A 35 6.496 5.961 13.670 1.00 0.00 C ATOM 450 O SER A 35 7.092 7.037 13.691 1.00 0.00 O ATOM 451 CB SER A 35 7.507 4.747 15.621 1.00 0.00 C ATOM 452 OG SER A 35 7.331 4.417 16.996 1.00 0.00 O ATOM 0 H SER A 35 5.792 3.240 14.385 1.00 0.00 H new ATOM 0 HA SER A 35 5.701 5.882 15.666 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.890 3.878 15.086 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.256 5.533 15.530 1.00 0.00 H new ATOM 0 HG SER A 35 8.186 4.125 17.374 1.00 0.00 H new ATOM 458 N ASN A 36 6.063 5.365 12.569 1.00 0.00 N ATOM 459 CA ASN A 36 6.271 5.964 11.262 1.00 0.00 C ATOM 460 C ASN A 36 5.157 6.976 10.986 1.00 0.00 C ATOM 461 O ASN A 36 4.451 7.393 11.903 1.00 0.00 O ATOM 462 CB ASN A 36 6.233 4.906 10.158 1.00 0.00 C ATOM 463 CG ASN A 36 7.644 4.572 9.669 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.638 5.057 10.183 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.674 3.718 8.649 1.00 0.00 N ATOM 0 H ASN A 36 5.569 4.473 12.555 1.00 0.00 H new ATOM 0 HA ASN A 36 7.248 6.447 11.265 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.751 4.003 10.532 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.631 5.267 9.324 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.568 3.432 8.250 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.803 3.350 8.266 1.00 0.00 H new ATOM 472 N SER A 37 5.035 7.341 9.718 1.00 0.00 N ATOM 473 CA SER A 37 4.018 8.296 9.310 1.00 0.00 C ATOM 474 C SER A 37 3.167 7.706 8.183 1.00 0.00 C ATOM 475 O SER A 37 2.910 8.372 7.180 1.00 0.00 O ATOM 476 CB SER A 37 4.650 9.616 8.863 1.00 0.00 C ATOM 477 OG SER A 37 5.253 9.509 7.576 1.00 0.00 O ATOM 0 H SER A 37 5.623 6.993 8.960 1.00 0.00 H new ATOM 0 HA SER A 37 3.379 8.503 10.169 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.888 10.395 8.843 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.401 9.924 9.591 1.00 0.00 H new ATOM 0 HG SER A 37 4.593 9.178 6.932 1.00 0.00 H new ATOM 483 N TYR A 38 2.755 6.463 8.385 1.00 0.00 N ATOM 484 CA TYR A 38 1.940 5.776 7.399 1.00 0.00 C ATOM 485 C TYR A 38 0.456 5.853 7.764 1.00 0.00 C ATOM 486 O TYR A 38 0.103 5.869 8.943 1.00 0.00 O ATOM 487 CB TYR A 38 2.384 4.313 7.429 1.00 0.00 C ATOM 488 CG TYR A 38 3.792 4.080 6.879 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.808 4.964 7.183 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.048 2.984 6.078 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.133 4.744 6.665 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.374 2.765 5.560 1.00 0.00 C ATOM 493 CZ TYR A 38 6.351 3.656 5.879 1.00 0.00 C ATOM 494 OH TYR A 38 7.603 3.449 5.390 1.00 0.00 O ATOM 0 H TYR A 38 2.971 5.914 9.217 1.00 0.00 H new ATOM 0 HA TYR A 38 2.064 6.230 6.416 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.342 3.952 8.457 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.676 3.717 6.853 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.609 5.821 7.810 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.254 2.292 5.840 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.936 5.428 6.896 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.588 1.912 4.932 1.00 0.00 H new ATOM 0 HH TYR A 38 7.611 2.634 4.846 1.00 0.00 H new ATOM 504 N PRO A 39 -0.396 5.900 6.706 1.00 0.00 N ATOM 505 CA PRO A 39 0.105 5.877 5.341 1.00 0.00 C ATOM 506 C PRO A 39 0.712 7.228 4.957 1.00 0.00 C ATOM 507 O PRO A 39 0.965 8.067 5.820 1.00 0.00 O ATOM 508 CB PRO A 39 -1.097 5.502 4.488 1.00 0.00 C ATOM 509 CG PRO A 39 -2.320 5.782 5.344 1.00 0.00 C ATOM 510 CD PRO A 39 -1.853 5.977 6.777 1.00 0.00 C ATOM 0 HA PRO A 39 0.915 5.161 5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.121 6.088 3.569 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.057 4.453 4.196 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.839 6.672 4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.026 4.954 5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.180 6.939 7.173 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.259 5.208 7.434 1.00 0.00 H new ATOM 518 N HIS A 40 0.928 7.396 3.661 1.00 0.00 N ATOM 519 CA HIS A 40 1.501 8.630 3.152 1.00 0.00 C ATOM 520 C HIS A 40 1.645 8.541 1.631 1.00 0.00 C ATOM 521 O HIS A 40 1.532 7.459 1.056 1.00 0.00 O ATOM 522 CB HIS A 40 2.823 8.946 3.854 1.00 0.00 C ATOM 523 CG HIS A 40 3.945 7.996 3.508 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.564 7.987 2.270 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.552 7.026 4.249 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.500 7.049 2.276 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.491 6.454 3.504 1.00 0.00 N ATOM 0 H HIS A 40 0.716 6.698 2.948 1.00 0.00 H new ATOM 0 HA HIS A 40 0.832 9.462 3.371 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.127 9.960 3.595 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.664 8.927 4.932 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.338 8.599 1.486 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.310 6.767 5.269 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.155 6.799 1.454 1.00 0.00 H new ATOM 536 N LYS A 41 1.891 9.692 1.023 1.00 0.00 N ATOM 537 CA LYS A 41 2.051 9.758 -0.419 1.00 0.00 C ATOM 538 C LYS A 41 2.990 8.638 -0.875 1.00 0.00 C ATOM 539 O LYS A 41 3.629 7.985 -0.052 1.00 0.00 O ATOM 540 CB LYS A 41 2.507 11.155 -0.845 1.00 0.00 C ATOM 541 CG LYS A 41 3.989 11.155 -1.225 1.00 0.00 C ATOM 542 CD LYS A 41 4.277 12.199 -2.306 1.00 0.00 C ATOM 543 CE LYS A 41 5.464 13.082 -1.913 1.00 0.00 C ATOM 544 NZ LYS A 41 6.709 12.283 -1.865 1.00 0.00 N ATOM 0 H LYS A 41 1.983 10.587 1.503 1.00 0.00 H new ATOM 0 HA LYS A 41 1.095 9.596 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.911 11.494 -1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.336 11.861 -0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.594 11.363 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.276 10.166 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.488 11.700 -3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.394 12.819 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.574 13.895 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.280 13.538 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.517 12.911 -1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.639 11.576 -1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.847 11.800 -2.776 1.00 0.00 H new ATOM 558 N TYR A 42 3.043 8.452 -2.186 1.00 0.00 N ATOM 559 CA TYR A 42 3.893 7.424 -2.761 1.00 0.00 C ATOM 560 C TYR A 42 4.281 7.774 -4.199 1.00 0.00 C ATOM 561 O TYR A 42 4.774 6.923 -4.938 1.00 0.00 O ATOM 562 CB TYR A 42 3.058 6.142 -2.770 1.00 0.00 C ATOM 563 CG TYR A 42 3.680 4.999 -3.574 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.427 4.889 -4.925 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.494 4.078 -2.946 1.00 0.00 C ATOM 566 CE1 TYR A 42 4.012 3.812 -5.682 1.00 0.00 C ATOM 567 CE2 TYR A 42 5.080 3.002 -3.703 1.00 0.00 C ATOM 568 CZ TYR A 42 4.810 2.922 -5.034 1.00 0.00 C ATOM 569 OH TYR A 42 5.364 1.906 -5.749 1.00 0.00 O ATOM 0 H TYR A 42 2.511 8.996 -2.866 1.00 0.00 H new ATOM 0 HA TYR A 42 4.812 7.321 -2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.909 5.810 -1.742 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.073 6.366 -3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.790 5.610 -5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.691 4.164 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.821 3.714 -6.740 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.719 2.275 -3.225 1.00 0.00 H new ATOM 0 HH TYR A 42 5.634 2.236 -6.631 1.00 0.00 H new ATOM 579 N ASN A 43 4.045 9.029 -4.553 1.00 0.00 N ATOM 580 CA ASN A 43 4.363 9.503 -5.889 1.00 0.00 C ATOM 581 C ASN A 43 5.178 8.435 -6.623 1.00 0.00 C ATOM 582 O ASN A 43 6.407 8.457 -6.593 1.00 0.00 O ATOM 583 CB ASN A 43 5.201 10.782 -5.835 1.00 0.00 C ATOM 584 CG ASN A 43 4.323 12.021 -6.021 1.00 0.00 C ATOM 585 OD1 ASN A 43 4.721 13.012 -6.611 1.00 0.00 O ATOM 586 ND2 ASN A 43 3.110 11.910 -5.486 1.00 0.00 N ATOM 0 H ASN A 43 3.637 9.732 -3.937 1.00 0.00 H new ATOM 0 HA ASN A 43 3.426 9.708 -6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.721 10.840 -4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.965 10.753 -6.612 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.449 12.683 -5.556 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.841 11.051 -5.005 1.00 0.00 H new ATOM 593 N ASN A 44 4.459 7.527 -7.265 1.00 0.00 N ATOM 594 CA ASN A 44 5.100 6.453 -8.007 1.00 0.00 C ATOM 595 C ASN A 44 6.115 7.049 -8.984 1.00 0.00 C ATOM 596 O ASN A 44 6.190 8.266 -9.141 1.00 0.00 O ATOM 597 CB ASN A 44 4.074 5.655 -8.816 1.00 0.00 C ATOM 598 CG ASN A 44 3.711 6.386 -10.111 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.762 7.149 -10.178 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.517 6.109 -11.133 1.00 0.00 N ATOM 0 H ASN A 44 3.439 7.512 -7.287 1.00 0.00 H new ATOM 0 HA ASN A 44 5.588 5.791 -7.291 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.477 4.670 -9.051 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.176 5.498 -8.218 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.358 6.546 -12.041 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.294 5.460 -11.008 1.00 0.00 H new ATOM 607 N TYR A 45 6.870 6.162 -9.614 1.00 0.00 N ATOM 608 CA TYR A 45 7.879 6.585 -10.572 1.00 0.00 C ATOM 609 C TYR A 45 8.672 5.386 -11.097 1.00 0.00 C ATOM 610 O TYR A 45 8.940 5.291 -12.294 1.00 0.00 O ATOM 611 CB TYR A 45 8.824 7.513 -9.807 1.00 0.00 C ATOM 612 CG TYR A 45 8.545 9.001 -10.023 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.452 9.398 -10.765 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.387 9.948 -9.475 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.188 10.799 -10.968 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.125 11.349 -9.678 1.00 0.00 C ATOM 617 CZ TYR A 45 8.038 11.705 -10.413 1.00 0.00 C ATOM 618 OH TYR A 45 7.789 13.029 -10.605 1.00 0.00 O ATOM 0 H TYR A 45 6.804 5.153 -9.481 1.00 0.00 H new ATOM 0 HA TYR A 45 7.415 7.075 -11.428 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.751 7.291 -8.742 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.849 7.299 -10.108 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.794 8.657 -11.194 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.243 9.638 -8.894 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.336 11.123 -11.547 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.777 12.100 -9.256 1.00 0.00 H new ATOM 0 HH TYR A 45 8.476 13.560 -10.151 1.00 0.00 H new ATOM 628 N GLU A 46 9.028 4.504 -10.176 1.00 0.00 N ATOM 629 CA GLU A 46 9.786 3.316 -10.532 1.00 0.00 C ATOM 630 C GLU A 46 9.201 2.669 -11.788 1.00 0.00 C ATOM 631 O GLU A 46 9.879 1.899 -12.467 1.00 0.00 O ATOM 632 CB GLU A 46 9.823 2.321 -9.369 1.00 0.00 C ATOM 633 CG GLU A 46 10.515 2.930 -8.149 1.00 0.00 C ATOM 634 CD GLU A 46 11.404 4.108 -8.553 1.00 0.00 C ATOM 635 OE1 GLU A 46 12.577 3.843 -8.892 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.890 5.247 -8.512 1.00 0.00 O ATOM 0 H GLU A 46 8.806 4.587 -9.184 1.00 0.00 H new ATOM 0 HA GLU A 46 10.812 3.614 -10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.807 2.026 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.348 1.417 -9.676 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.766 3.265 -7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.117 2.170 -7.651 1.00 0.00 H new ATOM 643 N GLY A 47 7.949 3.005 -12.059 1.00 0.00 N ATOM 644 CA GLY A 47 7.264 2.466 -13.223 1.00 0.00 C ATOM 645 C GLY A 47 6.081 1.591 -12.807 1.00 0.00 C ATOM 646 O GLY A 47 6.008 0.422 -13.180 1.00 0.00 O ATOM 0 H GLY A 47 7.390 3.644 -11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.913 3.283 -13.853 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.962 1.880 -13.821 1.00 0.00 H new ATOM 650 N PHE A 48 5.184 2.191 -12.039 1.00 0.00 N ATOM 651 CA PHE A 48 4.006 1.481 -11.568 1.00 0.00 C ATOM 652 C PHE A 48 2.778 1.836 -12.408 1.00 0.00 C ATOM 653 O PHE A 48 2.512 3.011 -12.659 1.00 0.00 O ATOM 654 CB PHE A 48 3.766 1.923 -10.123 1.00 0.00 C ATOM 655 CG PHE A 48 4.784 1.370 -9.125 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.620 0.122 -8.608 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.853 2.124 -8.754 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.566 -0.392 -7.681 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.799 1.609 -7.828 1.00 0.00 C ATOM 660 CZ PHE A 48 6.635 0.363 -7.311 1.00 0.00 C ATOM 0 H PHE A 48 5.249 3.161 -11.731 1.00 0.00 H new ATOM 0 HA PHE A 48 4.165 0.405 -11.644 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.785 3.012 -10.079 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.767 1.609 -9.819 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.771 -0.477 -8.902 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.983 3.115 -9.164 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.436 -1.382 -7.270 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.649 2.208 -7.535 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.354 -0.028 -6.606 1.00 0.00 H new ATOM 670 N ASP A 49 2.064 0.800 -12.821 1.00 0.00 N ATOM 671 CA ASP A 49 0.870 0.988 -13.629 1.00 0.00 C ATOM 672 C ASP A 49 -0.352 1.076 -12.712 1.00 0.00 C ATOM 673 O ASP A 49 -1.189 0.175 -12.699 1.00 0.00 O ATOM 674 CB ASP A 49 0.660 -0.189 -14.584 1.00 0.00 C ATOM 675 CG ASP A 49 1.943 -0.894 -15.032 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.754 -0.223 -15.705 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.081 -2.089 -14.691 1.00 0.00 O ATOM 0 H ASP A 49 2.289 -0.173 -12.612 1.00 0.00 H new ATOM 0 HA ASP A 49 0.995 1.904 -14.207 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.012 -0.919 -14.100 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.132 0.169 -15.468 1.00 0.00 H new ATOM 682 N PHE A 50 -0.416 2.171 -11.967 1.00 0.00 N ATOM 683 CA PHE A 50 -1.521 2.387 -11.050 1.00 0.00 C ATOM 684 C PHE A 50 -2.780 2.827 -11.802 1.00 0.00 C ATOM 685 O PHE A 50 -2.851 3.950 -12.297 1.00 0.00 O ATOM 686 CB PHE A 50 -1.096 3.505 -10.094 1.00 0.00 C ATOM 687 CG PHE A 50 -0.002 3.097 -9.106 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.381 1.795 -9.016 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.588 4.035 -8.319 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.397 1.415 -8.099 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.603 3.656 -7.402 1.00 0.00 C ATOM 692 CZ PHE A 50 1.986 2.354 -7.311 1.00 0.00 C ATOM 0 H PHE A 50 0.280 2.917 -11.981 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.751 1.463 -10.520 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.744 4.355 -10.679 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.969 3.842 -9.535 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.088 1.050 -9.642 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.284 5.069 -8.391 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.702 0.381 -8.028 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.071 4.402 -6.776 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.758 2.066 -6.613 1.00 0.00 H new ATOM 702 N SER A 51 -3.740 1.916 -11.864 1.00 0.00 N ATOM 703 CA SER A 51 -4.993 2.195 -12.547 1.00 0.00 C ATOM 704 C SER A 51 -5.880 3.082 -11.671 1.00 0.00 C ATOM 705 O SER A 51 -7.104 3.058 -11.797 1.00 0.00 O ATOM 706 CB SER A 51 -5.724 0.901 -12.906 1.00 0.00 C ATOM 707 OG SER A 51 -6.118 0.171 -11.747 1.00 0.00 O ATOM 0 H SER A 51 -3.676 0.985 -11.453 1.00 0.00 H new ATOM 0 HA SER A 51 -4.768 2.722 -13.474 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.605 1.136 -13.503 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.077 0.279 -13.524 1.00 0.00 H new ATOM 0 HG SER A 51 -6.583 -0.648 -12.019 1.00 0.00 H new ATOM 713 N VAL A 52 -5.230 3.843 -10.803 1.00 0.00 N ATOM 714 CA VAL A 52 -5.945 4.735 -9.907 1.00 0.00 C ATOM 715 C VAL A 52 -5.392 6.154 -10.059 1.00 0.00 C ATOM 716 O VAL A 52 -4.247 6.338 -10.466 1.00 0.00 O ATOM 717 CB VAL A 52 -5.862 4.212 -8.472 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.278 2.741 -8.400 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.460 4.415 -7.894 1.00 0.00 C ATOM 0 H VAL A 52 -4.215 3.860 -10.701 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.003 4.769 -10.166 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.560 4.788 -7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.210 2.394 -7.369 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.304 2.636 -8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.616 2.145 -9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.429 4.035 -6.873 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.734 3.878 -8.504 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.217 5.478 -7.893 1.00 0.00 H new ATOM 729 N SER A 53 -6.232 7.121 -9.722 1.00 0.00 N ATOM 730 CA SER A 53 -5.843 8.518 -9.815 1.00 0.00 C ATOM 731 C SER A 53 -5.181 8.965 -8.510 1.00 0.00 C ATOM 732 O SER A 53 -5.553 8.504 -7.432 1.00 0.00 O ATOM 733 CB SER A 53 -7.047 9.406 -10.130 1.00 0.00 C ATOM 734 OG SER A 53 -7.429 9.321 -11.501 1.00 0.00 O ATOM 0 H SER A 53 -7.182 6.965 -9.384 1.00 0.00 H new ATOM 0 HA SER A 53 -5.128 8.620 -10.631 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.888 9.114 -9.501 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.809 10.441 -9.883 1.00 0.00 H new ATOM 0 HG SER A 53 -8.202 9.901 -11.662 1.00 0.00 H new ATOM 740 N SER A 54 -4.212 9.857 -8.650 1.00 0.00 N ATOM 741 CA SER A 54 -3.495 10.372 -7.495 1.00 0.00 C ATOM 742 C SER A 54 -4.421 11.253 -6.655 1.00 0.00 C ATOM 743 O SER A 54 -5.541 11.553 -7.066 1.00 0.00 O ATOM 744 CB SER A 54 -2.256 11.160 -7.923 1.00 0.00 C ATOM 745 OG SER A 54 -2.520 12.557 -8.027 1.00 0.00 O ATOM 0 H SER A 54 -3.906 10.237 -9.546 1.00 0.00 H new ATOM 0 HA SER A 54 -3.164 9.526 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.455 10.995 -7.202 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.902 10.786 -8.884 1.00 0.00 H new ATOM 0 HG SER A 54 -1.704 13.025 -8.301 1.00 0.00 H new ATOM 751 N PRO A 55 -3.906 11.654 -5.462 1.00 0.00 N ATOM 752 CA PRO A 55 -2.571 11.255 -5.051 1.00 0.00 C ATOM 753 C PRO A 55 -2.549 9.791 -4.607 1.00 0.00 C ATOM 754 O PRO A 55 -3.581 9.236 -4.235 1.00 0.00 O ATOM 755 CB PRO A 55 -2.197 12.219 -3.937 1.00 0.00 C ATOM 756 CG PRO A 55 -3.505 12.821 -3.450 1.00 0.00 C ATOM 757 CD PRO A 55 -4.578 12.496 -4.477 1.00 0.00 C ATOM 0 HA PRO A 55 -1.847 11.308 -5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.681 11.701 -3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.522 12.994 -4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.773 12.413 -2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.407 13.900 -3.328 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.419 11.976 -4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.975 13.402 -4.935 1.00 0.00 H new ATOM 765 N TYR A 56 -1.361 9.207 -4.662 1.00 0.00 N ATOM 766 CA TYR A 56 -1.191 7.818 -4.270 1.00 0.00 C ATOM 767 C TYR A 56 -0.670 7.713 -2.836 1.00 0.00 C ATOM 768 O TYR A 56 0.317 8.356 -2.481 1.00 0.00 O ATOM 769 CB TYR A 56 -0.145 7.236 -5.223 1.00 0.00 C ATOM 770 CG TYR A 56 -0.601 7.171 -6.682 1.00 0.00 C ATOM 771 CD1 TYR A 56 -1.935 6.982 -6.981 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.322 7.300 -7.700 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.364 6.921 -8.354 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.107 7.238 -9.074 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.430 7.052 -9.333 1.00 0.00 C ATOM 776 OH TYR A 56 -1.834 6.994 -10.630 1.00 0.00 O ATOM 0 H TYR A 56 -0.507 9.670 -4.972 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.142 7.287 -4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.762 7.838 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.117 6.232 -4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.657 6.880 -6.185 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.366 7.447 -7.467 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.405 6.774 -8.601 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.605 7.337 -9.880 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.612 6.403 -10.704 1.00 0.00 H new ATOM 786 N TYR A 57 -1.357 6.897 -2.049 1.00 0.00 N ATOM 787 CA TYR A 57 -0.977 6.700 -0.660 1.00 0.00 C ATOM 788 C TYR A 57 -0.418 5.293 -0.440 1.00 0.00 C ATOM 789 O TYR A 57 -1.068 4.304 -0.779 1.00 0.00 O ATOM 790 CB TYR A 57 -2.260 6.861 0.156 1.00 0.00 C ATOM 791 CG TYR A 57 -2.963 8.204 -0.048 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.280 9.262 -0.613 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.282 8.357 0.332 1.00 0.00 C ATOM 794 CE1 TYR A 57 -2.943 10.526 -0.805 1.00 0.00 C ATOM 795 CE2 TYR A 57 -4.944 9.622 0.140 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.241 10.643 -0.419 1.00 0.00 C ATOM 797 OH TYR A 57 -4.867 11.838 -0.601 1.00 0.00 O ATOM 0 H TYR A 57 -2.174 6.365 -2.347 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.205 7.412 -0.368 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.949 6.058 -0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.023 6.744 1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.249 9.142 -0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.817 7.529 0.773 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.421 11.362 -1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.975 9.756 0.433 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.496 12.500 0.020 1.00 0.00 H new ATOM 807 N GLU A 58 0.779 5.247 0.125 1.00 0.00 N ATOM 808 CA GLU A 58 1.431 3.977 0.394 1.00 0.00 C ATOM 809 C GLU A 58 1.002 3.439 1.761 1.00 0.00 C ATOM 810 O GLU A 58 0.864 4.200 2.717 1.00 0.00 O ATOM 811 CB GLU A 58 2.953 4.114 0.314 1.00 0.00 C ATOM 812 CG GLU A 58 3.476 5.069 1.390 1.00 0.00 C ATOM 813 CD GLU A 58 3.373 4.437 2.780 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.773 3.258 2.899 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.894 5.146 3.691 1.00 0.00 O ATOM 0 H GLU A 58 1.315 6.069 0.404 1.00 0.00 H new ATOM 0 HA GLU A 58 1.122 3.264 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.417 3.135 0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.237 4.481 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.514 5.327 1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.906 5.998 1.366 1.00 0.00 H new ATOM 822 N TRP A 59 0.801 2.130 1.809 1.00 0.00 N ATOM 823 CA TRP A 59 0.389 1.481 3.043 1.00 0.00 C ATOM 824 C TRP A 59 0.809 0.012 2.967 1.00 0.00 C ATOM 825 O TRP A 59 0.777 -0.592 1.896 1.00 0.00 O ATOM 826 CB TRP A 59 -1.110 1.663 3.284 1.00 0.00 C ATOM 827 CG TRP A 59 -1.660 0.827 4.442 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.300 -0.348 4.379 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.593 1.154 5.846 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.648 -0.802 5.635 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.204 0.140 6.556 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.033 2.268 6.495 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.315 0.140 7.951 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.152 2.254 7.890 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.765 1.241 8.619 1.00 0.00 C ATOM 0 H TRP A 59 0.916 1.501 1.014 1.00 0.00 H new ATOM 0 HA TRP A 59 0.879 1.939 3.902 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.311 2.716 3.482 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.648 1.402 2.373 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.516 -0.874 3.461 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.140 -1.669 5.848 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.549 3.072 5.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.799 -0.666 8.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.739 3.088 8.438 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.817 1.303 9.696 1.00 0.00 H new ATOM 846 N PRO A 60 1.201 -0.536 4.147 1.00 0.00 N ATOM 847 CA PRO A 60 1.626 -1.923 4.224 1.00 0.00 C ATOM 848 C PRO A 60 0.425 -2.870 4.145 1.00 0.00 C ATOM 849 O PRO A 60 -0.659 -2.543 4.624 1.00 0.00 O ATOM 850 CB PRO A 60 2.381 -2.032 5.539 1.00 0.00 C ATOM 851 CG PRO A 60 1.955 -0.828 6.364 1.00 0.00 C ATOM 852 CD PRO A 60 1.251 0.149 5.436 1.00 0.00 C ATOM 0 HA PRO A 60 2.263 -2.214 3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.139 -2.963 6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.458 -2.030 5.372 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.290 -1.135 7.171 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.822 -0.357 6.827 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.251 0.387 5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.796 1.090 5.364 1.00 0.00 H new ATOM 860 N ILE A 61 0.662 -4.023 3.537 1.00 0.00 N ATOM 861 CA ILE A 61 -0.387 -5.018 3.388 1.00 0.00 C ATOM 862 C ILE A 61 -0.021 -6.262 4.202 1.00 0.00 C ATOM 863 O ILE A 61 0.979 -6.920 3.921 1.00 0.00 O ATOM 864 CB ILE A 61 -0.646 -5.306 1.908 1.00 0.00 C ATOM 865 CG1 ILE A 61 -1.992 -6.007 1.714 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.508 -6.101 1.293 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.500 -5.832 0.282 1.00 0.00 C ATOM 0 H ILE A 61 1.564 -4.290 3.142 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.330 -4.641 3.785 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.699 -4.354 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.889 -7.068 1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.722 -5.601 2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.298 -6.292 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.432 -5.529 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.618 -7.049 1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.458 -6.340 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.625 -4.771 0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.779 -6.261 -0.415 1.00 0.00 H new ATOM 879 N LEU A 62 -0.853 -6.546 5.194 1.00 0.00 N ATOM 880 CA LEU A 62 -0.629 -7.699 6.050 1.00 0.00 C ATOM 881 C LEU A 62 -1.281 -8.930 5.418 1.00 0.00 C ATOM 882 O LEU A 62 -2.476 -8.926 5.128 1.00 0.00 O ATOM 883 CB LEU A 62 -1.111 -7.410 7.473 1.00 0.00 C ATOM 884 CG LEU A 62 -0.284 -6.399 8.270 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.117 -5.766 9.385 1.00 0.00 C ATOM 886 CD2 LEU A 62 0.998 -7.041 8.804 1.00 0.00 C ATOM 0 H LEU A 62 -1.682 -5.998 5.424 1.00 0.00 H new ATOM 0 HA LEU A 62 0.437 -7.910 6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.138 -7.048 7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.131 -8.349 8.026 1.00 0.00 H new ATOM 0 HG LEU A 62 0.015 -5.595 7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.505 -5.052 9.936 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.974 -5.251 8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.467 -6.544 10.064 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.568 -6.302 9.367 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.742 -7.876 9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.598 -7.404 7.970 1.00 0.00 H new ATOM 898 N SER A 63 -0.466 -9.957 5.224 1.00 0.00 N ATOM 899 CA SER A 63 -0.947 -11.194 4.632 1.00 0.00 C ATOM 900 C SER A 63 -1.888 -11.907 5.605 1.00 0.00 C ATOM 901 O SER A 63 -2.401 -12.984 5.301 1.00 0.00 O ATOM 902 CB SER A 63 0.216 -12.111 4.249 1.00 0.00 C ATOM 903 OG SER A 63 0.053 -12.662 2.945 1.00 0.00 O ATOM 0 H SER A 63 0.525 -9.958 5.466 1.00 0.00 H new ATOM 0 HA SER A 63 -1.494 -10.948 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.150 -11.550 4.292 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.296 -12.919 4.977 1.00 0.00 H new ATOM 0 HG SER A 63 0.816 -13.240 2.736 1.00 0.00 H new ATOM 909 N SER A 64 -2.086 -11.280 6.754 1.00 0.00 N ATOM 910 CA SER A 64 -2.956 -11.842 7.774 1.00 0.00 C ATOM 911 C SER A 64 -4.334 -11.179 7.710 1.00 0.00 C ATOM 912 O SER A 64 -5.294 -11.678 8.295 1.00 0.00 O ATOM 913 CB SER A 64 -2.350 -11.674 9.169 1.00 0.00 C ATOM 914 OG SER A 64 -1.534 -12.784 9.534 1.00 0.00 O ATOM 0 H SER A 64 -1.659 -10.388 7.002 1.00 0.00 H new ATOM 0 HA SER A 64 -3.064 -12.909 7.581 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.755 -10.761 9.198 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.150 -11.556 9.900 1.00 0.00 H new ATOM 0 HG SER A 64 -1.164 -12.638 10.430 1.00 0.00 H new ATOM 920 N GLY A 65 -4.386 -10.066 6.995 1.00 0.00 N ATOM 921 CA GLY A 65 -5.630 -9.329 6.846 1.00 0.00 C ATOM 922 C GLY A 65 -5.868 -8.408 8.045 1.00 0.00 C ATOM 923 O GLY A 65 -6.997 -8.277 8.517 1.00 0.00 O ATOM 0 H GLY A 65 -3.587 -9.656 6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.600 -8.739 5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.461 -10.027 6.748 1.00 0.00 H new ATOM 927 N ASP A 66 -4.786 -7.794 8.503 1.00 0.00 N ATOM 928 CA ASP A 66 -4.864 -6.890 9.637 1.00 0.00 C ATOM 929 C ASP A 66 -4.556 -5.466 9.170 1.00 0.00 C ATOM 930 O ASP A 66 -4.438 -5.213 7.971 1.00 0.00 O ATOM 931 CB ASP A 66 -3.842 -7.266 10.713 1.00 0.00 C ATOM 932 CG ASP A 66 -4.078 -8.620 11.383 1.00 0.00 C ATOM 933 OD1 ASP A 66 -3.912 -9.639 10.678 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.419 -8.606 12.585 1.00 0.00 O ATOM 0 H ASP A 66 -3.852 -7.905 8.109 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.869 -6.958 10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.849 -7.268 10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.844 -6.492 11.481 1.00 0.00 H new ATOM 939 N VAL A 67 -4.434 -4.572 10.141 1.00 0.00 N ATOM 940 CA VAL A 67 -4.142 -3.179 9.844 1.00 0.00 C ATOM 941 C VAL A 67 -2.796 -2.802 10.464 1.00 0.00 C ATOM 942 O VAL A 67 -2.696 -2.620 11.676 1.00 0.00 O ATOM 943 CB VAL A 67 -5.291 -2.290 10.322 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.826 -0.844 10.503 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.481 -2.368 9.363 1.00 0.00 C ATOM 0 H VAL A 67 -4.532 -4.785 11.134 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.058 -3.027 8.768 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.619 -2.660 11.293 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.662 -0.233 10.843 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.026 -0.809 11.243 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.458 -0.458 9.552 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.284 -1.727 9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.172 -2.036 8.372 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.836 -3.397 9.307 1.00 0.00 H new ATOM 955 N TYR A 68 -1.793 -2.695 9.604 1.00 0.00 N ATOM 956 CA TYR A 68 -0.457 -2.343 10.052 1.00 0.00 C ATOM 957 C TYR A 68 -0.504 -1.204 11.073 1.00 0.00 C ATOM 958 O TYR A 68 -0.477 -0.032 10.702 1.00 0.00 O ATOM 959 CB TYR A 68 0.293 -1.865 8.807 1.00 0.00 C ATOM 960 CG TYR A 68 1.559 -1.061 9.113 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.624 -1.667 9.747 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.634 0.269 8.755 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.814 -0.909 10.035 1.00 0.00 C ATOM 964 CE2 TYR A 68 2.824 1.026 9.043 1.00 0.00 C ATOM 965 CZ TYR A 68 3.856 0.399 9.669 1.00 0.00 C ATOM 966 OH TYR A 68 4.981 1.114 9.941 1.00 0.00 O ATOM 0 H TYR A 68 -1.880 -2.846 8.599 1.00 0.00 H new ATOM 0 HA TYR A 68 0.025 -3.196 10.529 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.562 -2.731 8.203 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.377 -1.252 8.204 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.565 -2.708 10.027 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.800 0.742 8.259 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.655 -1.370 10.531 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.896 2.068 8.768 1.00 0.00 H new ATOM 0 HH TYR A 68 4.869 2.034 9.622 1.00 0.00 H new ATOM 976 N SER A 69 -0.573 -1.590 12.339 1.00 0.00 N ATOM 977 CA SER A 69 -0.624 -0.616 13.416 1.00 0.00 C ATOM 978 C SER A 69 0.752 -0.490 14.072 1.00 0.00 C ATOM 979 O SER A 69 0.851 -0.320 15.287 1.00 0.00 O ATOM 980 CB SER A 69 -1.676 -1.001 14.457 1.00 0.00 C ATOM 981 OG SER A 69 -1.388 -2.255 15.069 1.00 0.00 O ATOM 0 H SER A 69 -0.595 -2.564 12.643 1.00 0.00 H new ATOM 0 HA SER A 69 -0.907 0.348 12.993 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.728 -0.227 15.223 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.656 -1.046 13.982 1.00 0.00 H new ATOM 0 HG SER A 69 -2.082 -2.464 15.729 1.00 0.00 H new ATOM 987 N GLY A 70 1.780 -0.576 13.241 1.00 0.00 N ATOM 988 CA GLY A 70 3.145 -0.474 13.726 1.00 0.00 C ATOM 989 C GLY A 70 3.995 0.392 12.793 1.00 0.00 C ATOM 990 O GLY A 70 3.460 1.147 11.983 1.00 0.00 O ATOM 0 H GLY A 70 1.695 -0.715 12.234 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.148 -0.046 14.728 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.583 -1.469 13.803 1.00 0.00 H new ATOM 994 N GLY A 71 5.305 0.254 12.939 1.00 0.00 N ATOM 995 CA GLY A 71 6.233 1.014 12.120 1.00 0.00 C ATOM 996 C GLY A 71 6.980 0.100 11.145 1.00 0.00 C ATOM 997 O GLY A 71 7.471 0.556 10.115 1.00 0.00 O ATOM 0 H GLY A 71 5.745 -0.373 13.612 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.691 1.779 11.564 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.948 1.532 12.759 1.00 0.00 H new ATOM 1001 N SER A 72 7.043 -1.173 11.508 1.00 0.00 N ATOM 1002 CA SER A 72 7.721 -2.154 10.679 1.00 0.00 C ATOM 1003 C SER A 72 6.717 -3.184 10.160 1.00 0.00 C ATOM 1004 O SER A 72 6.496 -4.215 10.792 1.00 0.00 O ATOM 1005 CB SER A 72 8.841 -2.850 11.456 1.00 0.00 C ATOM 1006 OG SER A 72 8.411 -3.280 12.745 1.00 0.00 O ATOM 0 H SER A 72 6.636 -1.547 12.365 1.00 0.00 H new ATOM 0 HA SER A 72 8.170 -1.635 9.832 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.197 -3.709 10.887 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.685 -2.168 11.564 1.00 0.00 H new ATOM 0 HG SER A 72 7.583 -3.798 12.658 1.00 0.00 H new ATOM 1012 N PRO A 73 6.120 -2.861 8.980 1.00 0.00 N ATOM 1013 CA PRO A 73 5.144 -3.746 8.368 1.00 0.00 C ATOM 1014 C PRO A 73 5.828 -4.957 7.730 1.00 0.00 C ATOM 1015 O PRO A 73 5.426 -6.096 7.964 1.00 0.00 O ATOM 1016 CB PRO A 73 4.406 -2.881 7.360 1.00 0.00 C ATOM 1017 CG PRO A 73 5.298 -1.675 7.113 1.00 0.00 C ATOM 1018 CD PRO A 73 6.358 -1.648 8.203 1.00 0.00 C ATOM 0 HA PRO A 73 4.449 -4.171 9.092 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.224 -3.428 6.435 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.434 -2.575 7.746 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.763 -1.739 6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.711 -0.757 7.128 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.362 -1.640 7.779 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.266 -0.756 8.823 1.00 0.00 H new ATOM 1026 N GLY A 74 6.847 -4.670 6.935 1.00 0.00 N ATOM 1027 CA GLY A 74 7.590 -5.721 6.260 1.00 0.00 C ATOM 1028 C GLY A 74 8.119 -5.238 4.907 1.00 0.00 C ATOM 1029 O GLY A 74 9.027 -4.410 4.852 1.00 0.00 O ATOM 0 H GLY A 74 7.176 -3.724 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.422 -6.042 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.947 -6.589 6.114 1.00 0.00 H new ATOM 1033 N ALA A 75 7.528 -5.777 3.851 1.00 0.00 N ATOM 1034 CA ALA A 75 7.929 -5.411 2.503 1.00 0.00 C ATOM 1035 C ALA A 75 6.682 -5.094 1.674 1.00 0.00 C ATOM 1036 O ALA A 75 6.682 -4.153 0.881 1.00 0.00 O ATOM 1037 CB ALA A 75 8.763 -6.540 1.894 1.00 0.00 C ATOM 0 H ALA A 75 6.775 -6.464 3.901 1.00 0.00 H new ATOM 0 HA ALA A 75 8.552 -4.517 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.064 -6.266 0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.651 -6.706 2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.169 -7.454 1.861 1.00 0.00 H new ATOM 1043 N ASP A 76 5.650 -5.897 1.886 1.00 0.00 N ATOM 1044 CA ASP A 76 4.400 -5.714 1.168 1.00 0.00 C ATOM 1045 C ASP A 76 3.784 -4.369 1.560 1.00 0.00 C ATOM 1046 O ASP A 76 3.783 -4.002 2.734 1.00 0.00 O ATOM 1047 CB ASP A 76 3.397 -6.815 1.518 1.00 0.00 C ATOM 1048 CG ASP A 76 4.019 -8.166 1.874 1.00 0.00 C ATOM 1049 OD1 ASP A 76 5.131 -8.430 1.369 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.367 -8.906 2.643 1.00 0.00 O ATOM 0 H ASP A 76 5.654 -6.676 2.545 1.00 0.00 H new ATOM 0 HA ASP A 76 4.616 -5.750 0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.790 -6.479 2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.723 -6.954 0.673 1.00 0.00 H new ATOM 1055 N ARG A 77 3.274 -3.673 0.556 1.00 0.00 N ATOM 1056 CA ARG A 77 2.655 -2.377 0.781 1.00 0.00 C ATOM 1057 C ARG A 77 1.604 -2.096 -0.295 1.00 0.00 C ATOM 1058 O ARG A 77 1.811 -2.408 -1.466 1.00 0.00 O ATOM 1059 CB ARG A 77 3.699 -1.259 0.769 1.00 0.00 C ATOM 1060 CG ARG A 77 4.965 -1.683 1.517 1.00 0.00 C ATOM 1061 CD ARG A 77 4.886 -1.291 2.994 1.00 0.00 C ATOM 1062 NE ARG A 77 6.238 -1.319 3.597 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.696 -2.314 4.369 1.00 0.00 C ATOM 1064 NH1 ARG A 77 5.913 -3.369 4.635 1.00 0.00 N ATOM 1065 NH2 ARG A 77 7.935 -2.255 4.873 1.00 0.00 N ATOM 0 H ARG A 77 3.276 -3.981 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 77 2.178 -2.403 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.949 -1.001 -0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.283 -0.363 1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.099 -2.761 1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.836 -1.215 1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.455 -0.294 3.092 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.227 -1.977 3.526 1.00 0.00 H new ATOM 0 HE ARG A 77 6.860 -0.532 3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.970 -3.414 4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.261 -4.127 5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.531 -1.452 4.669 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.283 -3.013 5.461 1.00 0.00 H new ATOM 1079 N VAL A 78 0.499 -1.509 0.142 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.584 -1.183 -0.769 1.00 0.00 C ATOM 1081 C VAL A 78 -0.591 0.326 -1.027 1.00 0.00 C ATOM 1082 O VAL A 78 -0.610 1.119 -0.087 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.912 -1.700 -0.211 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.868 -1.785 1.316 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -3.080 -0.829 -0.678 1.00 0.00 C ATOM 0 H VAL A 78 0.331 -1.251 1.114 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.436 -1.677 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.069 -2.706 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.824 -2.155 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.073 -2.465 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.676 -0.795 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.011 -1.219 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.931 0.194 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.131 -0.841 -1.767 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.575 0.676 -2.305 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.579 2.074 -2.698 1.00 0.00 C ATOM 1097 C VAL A 79 -1.972 2.453 -3.206 1.00 0.00 C ATOM 1098 O VAL A 79 -2.481 1.842 -4.145 1.00 0.00 O ATOM 1099 CB VAL A 79 0.524 2.332 -3.727 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.406 3.739 -4.315 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.907 2.107 -3.115 1.00 0.00 C ATOM 0 H VAL A 79 -0.559 0.015 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.361 2.712 -1.841 1.00 0.00 H new ATOM 0 HB VAL A 79 0.398 1.618 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.201 3.897 -5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.562 3.849 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.494 4.476 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.673 2.297 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.048 2.786 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.988 1.077 -2.767 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.548 3.457 -2.564 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.873 3.924 -2.939 1.00 0.00 C ATOM 1113 C PHE A 80 -3.920 5.452 -2.990 1.00 0.00 C ATOM 1114 O PHE A 80 -2.884 6.107 -3.096 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.842 3.432 -1.863 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.647 4.095 -0.499 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.533 3.830 0.234 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.589 4.951 -0.018 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.352 4.445 1.501 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.408 5.567 1.249 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.294 5.301 1.981 1.00 0.00 C ATOM 0 H PHE A 80 -2.122 3.961 -1.786 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.136 3.545 -3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.863 3.611 -2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.727 2.354 -1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.785 3.151 -0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.474 5.162 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.467 4.233 2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.155 6.247 1.631 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.157 5.770 2.944 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.135 5.977 -2.914 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.331 7.417 -2.950 1.00 0.00 C ATOM 1133 C ASN A 81 -6.345 7.816 -1.877 1.00 0.00 C ATOM 1134 O ASN A 81 -6.666 7.022 -0.994 1.00 0.00 O ATOM 1135 CB ASN A 81 -5.878 7.864 -4.307 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.522 6.855 -5.402 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.651 7.077 -6.226 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.242 5.738 -5.361 1.00 0.00 N ATOM 0 H ASN A 81 -5.993 5.432 -2.828 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.366 7.893 -2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.961 7.975 -4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.471 8.842 -4.563 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.080 5.001 -6.048 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.956 5.618 -4.643 1.00 0.00 H new ATOM 1145 N GLU A 82 -6.823 9.047 -1.989 1.00 0.00 N ATOM 1146 CA GLU A 82 -7.796 9.561 -1.038 1.00 0.00 C ATOM 1147 C GLU A 82 -9.216 9.238 -1.506 1.00 0.00 C ATOM 1148 O GLU A 82 -10.189 9.688 -0.902 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.615 11.066 -0.829 1.00 0.00 C ATOM 1150 CG GLU A 82 -8.884 11.695 -0.251 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.592 13.078 0.334 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -8.148 13.944 -0.450 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -8.820 13.238 1.553 1.00 0.00 O ATOM 0 H GLU A 82 -6.555 9.703 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.631 9.072 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.777 11.245 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.369 11.542 -1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.641 11.778 -1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.295 11.048 0.524 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.292 8.463 -2.577 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.577 8.075 -3.132 1.00 0.00 C ATOM 1162 C ASN A 83 -10.956 6.687 -2.609 1.00 0.00 C ATOM 1163 O ASN A 83 -12.131 6.325 -2.595 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.519 8.005 -4.659 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.071 7.994 -5.153 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.442 9.022 -5.337 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.579 6.775 -5.357 1.00 0.00 N ATOM 0 H ASN A 83 -8.483 8.093 -3.076 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.313 8.822 -2.833 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.032 7.108 -5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.046 8.858 -5.086 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.621 6.660 -5.687 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.160 5.955 -5.183 1.00 0.00 H new ATOM 1174 N ASN A 84 -9.938 5.949 -2.192 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.149 4.610 -1.670 1.00 0.00 C ATOM 1176 C ASN A 84 -9.743 3.584 -2.730 1.00 0.00 C ATOM 1177 O ASN A 84 -10.194 2.440 -2.697 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.623 4.378 -1.327 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.409 3.932 -2.562 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.418 3.253 -2.475 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -11.891 4.351 -3.713 1.00 0.00 N ATOM 0 H ASN A 84 -8.964 6.253 -2.205 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.547 4.501 -0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.704 3.621 -0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.056 5.295 -0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.342 4.106 -4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.043 4.917 -3.714 1.00 0.00 H new ATOM 1188 N GLN A 85 -8.897 4.030 -3.645 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.425 3.166 -4.713 1.00 0.00 C ATOM 1190 C GLN A 85 -6.963 2.780 -4.479 1.00 0.00 C ATOM 1191 O GLN A 85 -6.124 3.643 -4.224 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.604 3.832 -6.079 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.075 4.158 -6.342 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.229 5.040 -7.582 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.870 4.681 -8.557 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.605 6.212 -7.493 1.00 0.00 N ATOM 0 H GLN A 85 -8.525 4.980 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.026 2.256 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.012 4.746 -6.122 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.229 3.172 -6.861 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.637 3.234 -6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.499 4.666 -5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.086 6.450 -6.648 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.646 6.872 -8.270 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.704 1.484 -4.572 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.357 0.974 -4.372 1.00 0.00 C ATOM 1207 C LEU A 86 -4.604 1.000 -5.704 1.00 0.00 C ATOM 1208 O LEU A 86 -5.148 0.613 -6.737 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.399 -0.406 -3.717 1.00 0.00 C ATOM 1210 CG LEU A 86 -4.145 -1.268 -3.884 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.057 -1.837 -5.302 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -2.888 -0.484 -3.502 1.00 0.00 C ATOM 0 H LEU A 86 -7.403 0.772 -4.783 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.806 1.612 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.586 -0.275 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.249 -0.954 -4.124 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.217 -2.114 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.157 -2.446 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.934 -2.453 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.017 -1.018 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.011 -1.118 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.798 0.393 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.959 -0.167 -2.461 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.363 1.462 -5.637 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.531 1.544 -6.825 1.00 0.00 C ATOM 1226 C ALA A 87 -2.170 0.131 -7.288 1.00 0.00 C ATOM 1227 O ALA A 87 -2.245 -0.174 -8.477 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.294 2.392 -6.522 1.00 0.00 C ATOM 0 H ALA A 87 -2.915 1.783 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.069 2.030 -7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.669 2.454 -7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.604 3.394 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.727 1.932 -5.712 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.787 -0.693 -6.324 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.416 -2.067 -6.618 1.00 0.00 C ATOM 1236 C GLY A 88 -0.914 -2.780 -5.361 1.00 0.00 C ATOM 1237 O GLY A 88 -1.545 -2.707 -4.307 1.00 0.00 O ATOM 0 H GLY A 88 -1.726 -0.436 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.275 -2.600 -7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.640 -2.082 -7.383 1.00 0.00 H new ATOM 1241 N VAL A 89 0.215 -3.456 -5.513 1.00 0.00 N ATOM 1242 CA VAL A 89 0.808 -4.182 -4.403 1.00 0.00 C ATOM 1243 C VAL A 89 2.327 -4.236 -4.587 1.00 0.00 C ATOM 1244 O VAL A 89 2.840 -5.109 -5.285 1.00 0.00 O ATOM 1245 CB VAL A 89 0.171 -5.568 -4.283 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.979 -6.465 -3.343 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.286 -5.464 -3.824 1.00 0.00 C ATOM 0 H VAL A 89 0.735 -3.516 -6.388 1.00 0.00 H new ATOM 0 HA VAL A 89 0.612 -3.667 -3.463 1.00 0.00 H new ATOM 0 HB VAL A 89 0.180 -6.027 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.504 -7.444 -3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.992 -6.579 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.018 -6.012 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.715 -6.463 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.327 -4.975 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.855 -4.880 -4.547 1.00 0.00 H new ATOM 1257 N ILE A 90 3.002 -3.294 -3.947 1.00 0.00 N ATOM 1258 CA ILE A 90 4.451 -3.223 -4.032 1.00 0.00 C ATOM 1259 C ILE A 90 5.065 -4.115 -2.951 1.00 0.00 C ATOM 1260 O ILE A 90 4.358 -4.606 -2.073 1.00 0.00 O ATOM 1261 CB ILE A 90 4.921 -1.768 -3.969 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.774 -1.205 -2.555 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.193 -0.912 -5.006 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.317 0.255 -2.591 1.00 0.00 C ATOM 0 H ILE A 90 2.573 -2.573 -3.367 1.00 0.00 H new ATOM 0 HA ILE A 90 4.795 -3.603 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 90 5.982 -1.741 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.054 -1.802 -1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.726 -1.279 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.545 0.117 -4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.393 -1.301 -6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.120 -0.941 -4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.220 0.631 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.052 0.853 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.353 0.322 -3.096 1.00 0.00 H new ATOM 1276 N THR A 91 6.373 -4.296 -3.051 1.00 0.00 N ATOM 1277 CA THR A 91 7.090 -5.120 -2.092 1.00 0.00 C ATOM 1278 C THR A 91 8.590 -4.822 -2.148 1.00 0.00 C ATOM 1279 O THR A 91 9.123 -4.503 -3.210 1.00 0.00 O ATOM 1280 CB THR A 91 6.751 -6.584 -2.381 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.906 -7.299 -1.952 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.663 -6.881 -3.879 1.00 0.00 C ATOM 0 H THR A 91 6.956 -3.886 -3.781 1.00 0.00 H new ATOM 0 HA THR A 91 6.784 -4.895 -1.070 1.00 0.00 H new ATOM 0 HB THR A 91 5.803 -6.837 -1.905 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.682 -8.247 -1.844 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.420 -7.933 -4.028 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.886 -6.262 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.620 -6.659 -4.351 1.00 0.00 H new ATOM 1290 N HIS A 92 9.227 -4.937 -0.993 1.00 0.00 N ATOM 1291 CA HIS A 92 10.654 -4.683 -0.897 1.00 0.00 C ATOM 1292 C HIS A 92 11.416 -5.717 -1.729 1.00 0.00 C ATOM 1293 O HIS A 92 12.643 -5.674 -1.806 1.00 0.00 O ATOM 1294 CB HIS A 92 11.103 -4.650 0.565 1.00 0.00 C ATOM 1295 CG HIS A 92 10.723 -3.385 1.296 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.418 -2.917 2.398 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.712 -2.496 1.072 1.00 0.00 C ATOM 1298 CE1 HIS A 92 10.844 -1.797 2.809 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.787 -1.537 1.988 1.00 0.00 N ATOM 0 H HIS A 92 8.781 -5.203 -0.115 1.00 0.00 H new ATOM 0 HA HIS A 92 10.881 -3.699 -1.308 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.669 -5.503 1.087 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.186 -4.769 0.605 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.976 -2.561 0.284 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.158 -1.194 3.648 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.158 -0.738 2.065 1.00 0.00 H new ATOM 1308 N THR A 93 10.657 -6.621 -2.330 1.00 0.00 N ATOM 1309 CA THR A 93 11.245 -7.664 -3.153 1.00 0.00 C ATOM 1310 C THR A 93 11.566 -7.126 -4.548 1.00 0.00 C ATOM 1311 O THR A 93 11.158 -6.020 -4.899 1.00 0.00 O ATOM 1312 CB THR A 93 10.283 -8.855 -3.166 1.00 0.00 C ATOM 1313 OG1 THR A 93 10.699 -9.650 -2.060 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.494 -9.764 -4.379 1.00 0.00 C ATOM 0 H THR A 93 9.640 -6.653 -2.263 1.00 0.00 H new ATOM 0 HA THR A 93 12.197 -8.001 -2.743 1.00 0.00 H new ATOM 0 HB THR A 93 9.255 -8.492 -3.159 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.127 -10.443 -1.994 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.787 -10.593 -4.340 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.334 -9.193 -5.294 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.512 -10.155 -4.368 1.00 0.00 H new ATOM 1322 N GLY A 94 12.294 -7.932 -5.306 1.00 0.00 N ATOM 1323 CA GLY A 94 12.674 -7.551 -6.655 1.00 0.00 C ATOM 1324 C GLY A 94 12.910 -6.042 -6.752 1.00 0.00 C ATOM 1325 O GLY A 94 12.515 -5.411 -7.732 1.00 0.00 O ATOM 0 H GLY A 94 12.631 -8.848 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 94 13.579 -8.084 -6.946 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.892 -7.846 -7.354 1.00 0.00 H new ATOM 1329 N ALA A 95 13.551 -5.509 -5.724 1.00 0.00 N ATOM 1330 CA ALA A 95 13.844 -4.086 -5.681 1.00 0.00 C ATOM 1331 C ALA A 95 15.360 -3.881 -5.693 1.00 0.00 C ATOM 1332 O ALA A 95 16.109 -4.728 -5.209 1.00 0.00 O ATOM 1333 CB ALA A 95 13.182 -3.465 -4.450 1.00 0.00 C ATOM 0 H ALA A 95 13.876 -6.036 -4.914 1.00 0.00 H new ATOM 0 HA ALA A 95 13.436 -3.584 -6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.402 -2.398 -4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 95 12.103 -3.612 -4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 95 13.568 -3.942 -3.549 1.00 0.00 H new ATOM 1339 N SER A 96 15.768 -2.751 -6.252 1.00 0.00 N ATOM 1340 CA SER A 96 17.181 -2.424 -6.334 1.00 0.00 C ATOM 1341 C SER A 96 17.624 -1.694 -5.063 1.00 0.00 C ATOM 1342 O SER A 96 18.504 -0.836 -5.111 1.00 0.00 O ATOM 1343 CB SER A 96 17.478 -1.569 -7.568 1.00 0.00 C ATOM 1344 OG SER A 96 18.807 -1.053 -7.552 1.00 0.00 O ATOM 0 H SER A 96 15.144 -2.050 -6.653 1.00 0.00 H new ATOM 0 HA SER A 96 17.742 -3.354 -6.426 1.00 0.00 H new ATOM 0 HB2 SER A 96 17.332 -2.167 -8.467 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.769 -0.743 -7.616 1.00 0.00 H new ATOM 0 HG SER A 96 18.945 -0.529 -6.735 1.00 0.00 H new ATOM 1350 N GLY A 97 16.993 -2.062 -3.958 1.00 0.00 N ATOM 1351 CA GLY A 97 17.310 -1.452 -2.678 1.00 0.00 C ATOM 1352 C GLY A 97 16.080 -1.416 -1.768 1.00 0.00 C ATOM 1353 O GLY A 97 15.399 -2.425 -1.599 1.00 0.00 O ATOM 0 H GLY A 97 16.264 -2.775 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.110 -2.011 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.680 -0.439 -2.836 1.00 0.00 H new ATOM 1357 N ASN A 98 15.835 -0.242 -1.205 1.00 0.00 N ATOM 1358 CA ASN A 98 14.699 -0.060 -0.318 1.00 0.00 C ATOM 1359 C ASN A 98 13.492 0.411 -1.130 1.00 0.00 C ATOM 1360 O ASN A 98 12.451 0.745 -0.565 1.00 0.00 O ATOM 1361 CB ASN A 98 14.995 0.999 0.747 1.00 0.00 C ATOM 1362 CG ASN A 98 13.733 1.351 1.536 1.00 0.00 C ATOM 1363 OD1 ASN A 98 13.523 2.481 1.948 1.00 0.00 O ATOM 1364 ND2 ASN A 98 12.908 0.325 1.723 1.00 0.00 N ATOM 0 H ASN A 98 16.404 0.593 -1.346 1.00 0.00 H new ATOM 0 HA ASN A 98 14.496 -1.014 0.168 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.763 0.631 1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.393 1.896 0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.038 0.458 2.238 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.145 -0.595 1.351 1.00 0.00 H new ATOM 1371 N ASN A 99 13.671 0.423 -2.442 1.00 0.00 N ATOM 1372 CA ASN A 99 12.609 0.848 -3.338 1.00 0.00 C ATOM 1373 C ASN A 99 11.426 -0.115 -3.214 1.00 0.00 C ATOM 1374 O ASN A 99 11.338 -0.874 -2.251 1.00 0.00 O ATOM 1375 CB ASN A 99 13.078 0.834 -4.795 1.00 0.00 C ATOM 1376 CG ASN A 99 13.604 -0.548 -5.189 1.00 0.00 C ATOM 1377 OD1 ASN A 99 12.908 -1.362 -5.772 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.868 -0.765 -4.837 1.00 0.00 N ATOM 0 H ASN A 99 14.536 0.145 -2.907 1.00 0.00 H new ATOM 0 HA ASN A 99 12.321 1.862 -3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.252 1.113 -5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.861 1.579 -4.936 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.312 -1.657 -5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 99 15.394 -0.039 -4.350 1.00 0.00 H new ATOM 1385 N PHE A 100 10.546 -0.052 -4.202 1.00 0.00 N ATOM 1386 CA PHE A 100 9.372 -0.909 -4.216 1.00 0.00 C ATOM 1387 C PHE A 100 9.098 -1.441 -5.623 1.00 0.00 C ATOM 1388 O PHE A 100 9.659 -0.946 -6.598 1.00 0.00 O ATOM 1389 CB PHE A 100 8.188 -0.052 -3.767 1.00 0.00 C ATOM 1390 CG PHE A 100 8.119 0.174 -2.255 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.847 -0.868 -1.424 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.331 1.416 -1.743 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.784 -0.659 -0.021 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.268 1.625 -0.340 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.996 0.583 0.491 1.00 0.00 C ATOM 0 H PHE A 100 10.622 0.580 -4.999 1.00 0.00 H new ATOM 0 HA PHE A 100 9.528 -1.764 -3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.243 0.915 -4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.264 -0.528 -4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.679 -1.854 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.547 2.243 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.568 -1.486 0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.436 2.611 0.067 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.948 0.742 1.558 1.00 0.00 H new ATOM 1405 N VAL A 101 8.234 -2.444 -5.684 1.00 0.00 N ATOM 1406 CA VAL A 101 7.878 -3.049 -6.956 1.00 0.00 C ATOM 1407 C VAL A 101 6.567 -3.821 -6.800 1.00 0.00 C ATOM 1408 O VAL A 101 6.411 -4.605 -5.865 1.00 0.00 O ATOM 1409 CB VAL A 101 9.029 -3.921 -7.461 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.288 -3.085 -7.699 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.310 -5.072 -6.493 1.00 0.00 C ATOM 0 H VAL A 101 7.770 -2.853 -4.873 1.00 0.00 H new ATOM 0 HA VAL A 101 7.714 -2.281 -7.712 1.00 0.00 H new ATOM 0 HB VAL A 101 8.728 -4.352 -8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.090 -3.730 -8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.079 -2.317 -8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.592 -2.612 -6.765 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.132 -5.677 -6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.579 -4.669 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.419 -5.692 -6.396 1.00 0.00 H new ATOM 1421 N GLU A 102 5.656 -3.572 -7.729 1.00 0.00 N ATOM 1422 CA GLU A 102 4.363 -4.235 -7.706 1.00 0.00 C ATOM 1423 C GLU A 102 4.544 -5.753 -7.671 1.00 0.00 C ATOM 1424 O GLU A 102 5.213 -6.322 -8.532 1.00 0.00 O ATOM 1425 CB GLU A 102 3.509 -3.812 -8.903 1.00 0.00 C ATOM 1426 CG GLU A 102 4.387 -3.337 -10.062 1.00 0.00 C ATOM 1427 CD GLU A 102 3.651 -3.468 -11.397 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.776 -4.357 -11.478 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.979 -2.675 -12.306 1.00 0.00 O ATOM 0 H GLU A 102 5.787 -2.920 -8.503 1.00 0.00 H new ATOM 0 HA GLU A 102 3.838 -3.931 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.893 -4.650 -9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.830 -3.013 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.676 -2.298 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.306 -3.922 -10.090 1.00 0.00 H new ATOM 1436 N CYS A 103 3.937 -6.367 -6.666 1.00 0.00 N ATOM 1437 CA CYS A 103 4.023 -7.808 -6.507 1.00 0.00 C ATOM 1438 C CYS A 103 3.526 -8.464 -7.796 1.00 0.00 C ATOM 1439 O CYS A 103 3.357 -7.793 -8.813 1.00 0.00 O ATOM 1440 CB CYS A 103 3.241 -8.291 -5.283 1.00 0.00 C ATOM 1441 SG CYS A 103 3.772 -7.555 -3.695 1.00 0.00 S ATOM 0 H CYS A 103 3.383 -5.892 -5.953 1.00 0.00 H new ATOM 0 HA CYS A 103 5.060 -8.095 -6.330 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.184 -8.071 -5.434 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.334 -9.375 -5.214 1.00 0.00 H new ATOM 0 HG CYS A 103 3.238 -8.215 -2.711 1.00 0.00 H new ATOM 1446 N THR A 104 3.305 -9.768 -7.713 1.00 0.00 N ATOM 1447 CA THR A 104 2.832 -10.522 -8.860 1.00 0.00 C ATOM 1448 C THR A 104 1.441 -11.097 -8.584 1.00 0.00 C ATOM 1449 O THR A 104 1.178 -12.264 -8.871 1.00 0.00 O ATOM 1450 CB THR A 104 3.876 -11.591 -9.189 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.945 -12.384 -8.007 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.284 -11.010 -9.330 1.00 0.00 C ATOM 0 H THR A 104 3.445 -10.321 -6.868 1.00 0.00 H new ATOM 0 HA THR A 104 2.717 -9.880 -9.733 1.00 0.00 H new ATOM 0 HB THR A 104 3.598 -12.098 -10.113 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.425 -11.956 -7.295 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.986 -11.810 -9.563 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.295 -10.272 -10.133 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.576 -10.533 -8.395 1.00 0.00 H new TER 1460 THR A 104