USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 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 90 THR OG1 : rot -130:sc= 0.848 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0.738 USER MOD Set 2.1: A 27 TYR OH : rot -15:sc= 0 USER MOD Set 2.2: A 41 THR OG1 : rot 180:sc= 0.09 USER MOD Set 2.3: A 57 GLN : amide:sc= -2.02 K(o=-1.9,f=-4.2!) USER MOD Set 3.1: A 21 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Set 3.2: A 25 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0.512 USER MOD Set 4.2: A 10 ASN : amide:sc= 0.348 K(o=0.86,f=-0.18) USER MOD Set 5.1: A 4 THR OG1 : rot 180:sc= 0.726 USER MOD Set 5.2: A 103 SER OG : rot -104:sc= 0.812 USER MOD Single : A 2 SER OG : rot -30:sc= 0.0787 USER MOD Single : A 8 SER OG : rot -35:sc= 0.281 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 165:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.4) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.52 K(o=0.52,f=0) USER MOD Single : A 29 ASN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 32 THR OG1 : rot 47:sc= 0.28 USER MOD Single : A 35 SER OG : rot -38:sc= 0.446 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -53:sc= 0.29 USER MOD Single : A 38 TYR OH : rot 30:sc=-0.00408 USER MOD Single : A 40 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.11) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.576 K(o=-0.58,f=-2!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -21:sc= 0.784 USER MOD Single : A 62 LYS NZ :NH3+ -119:sc= -0.111 (180deg=-0.788) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.56 X(o=-0.56,f=-0.53) USER MOD Single : A 81 THR OG1 : rot -90:sc= -0.126 USER MOD Single : A 82 ASN : amide:sc= -0.0628 X(o=-0.063,f=-0.42) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -2.64 X(o=-2.6,f=-2.6) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD Single : A 105 THR OG1 : rot -46:sc= 0.346 USER MOD Single : A 106 ASN : amide:sc= -0.0304 X(o=-0.03,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.948 10.961 -5.547 1.00 0.00 N ATOM 16 CA SER A 2 7.370 10.737 -5.335 1.00 0.00 C ATOM 17 C SER A 2 8.087 12.064 -5.081 1.00 0.00 C ATOM 18 O SER A 2 9.166 12.304 -5.624 1.00 0.00 O ATOM 19 CB SER A 2 7.930 10.009 -6.555 1.00 0.00 C ATOM 20 OG SER A 2 7.774 10.782 -7.727 1.00 0.00 O ATOM 0 HA SER A 2 7.531 10.119 -4.452 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.986 9.790 -6.398 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.421 9.053 -6.676 1.00 0.00 H new ATOM 0 HG SER A 2 6.976 11.344 -7.644 1.00 0.00 H new ATOM 26 N ALA A 3 7.474 12.909 -4.243 1.00 0.00 N ATOM 27 CA ALA A 3 7.943 14.236 -3.850 1.00 0.00 C ATOM 28 C ALA A 3 7.984 15.204 -5.034 1.00 0.00 C ATOM 29 O ALA A 3 7.910 14.789 -6.192 1.00 0.00 O ATOM 30 CB ALA A 3 9.301 14.147 -3.140 1.00 0.00 C ATOM 0 H ALA A 3 6.588 12.668 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 3 7.222 14.643 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.630 15.147 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.205 13.530 -2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.034 13.701 -3.812 1.00 0.00 H new ATOM 36 N THR A 4 8.087 16.509 -4.747 1.00 0.00 N ATOM 37 CA THR A 4 8.159 17.519 -5.791 1.00 0.00 C ATOM 38 C THR A 4 8.819 18.796 -5.272 1.00 0.00 C ATOM 39 O THR A 4 8.756 19.091 -4.081 1.00 0.00 O ATOM 40 CB THR A 4 6.781 17.765 -6.450 1.00 0.00 C ATOM 41 OG1 THR A 4 6.956 18.061 -7.817 1.00 0.00 O ATOM 42 CG2 THR A 4 5.991 18.930 -5.850 1.00 0.00 C ATOM 0 H THR A 4 8.122 16.882 -3.798 1.00 0.00 H new ATOM 0 HA THR A 4 8.800 17.141 -6.587 1.00 0.00 H new ATOM 0 HB THR A 4 6.218 16.848 -6.279 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.082 18.215 -8.233 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.039 19.031 -6.371 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.807 18.739 -4.793 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.563 19.851 -5.958 1.00 0.00 H new ATOM 50 N THR A 5 9.464 19.545 -6.173 1.00 0.00 N ATOM 51 CA THR A 5 10.124 20.797 -5.896 1.00 0.00 C ATOM 52 C THR A 5 9.494 21.774 -6.887 1.00 0.00 C ATOM 53 O THR A 5 9.642 21.607 -8.094 1.00 0.00 O ATOM 54 CB THR A 5 11.639 20.583 -6.055 1.00 0.00 C ATOM 55 OG1 THR A 5 12.201 20.310 -4.789 1.00 0.00 O ATOM 56 CG2 THR A 5 12.344 21.780 -6.679 1.00 0.00 C ATOM 0 H THR A 5 9.535 19.271 -7.153 1.00 0.00 H new ATOM 0 HA THR A 5 10.001 21.190 -4.887 1.00 0.00 H new ATOM 0 HB THR A 5 11.781 19.742 -6.734 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.167 20.171 -4.883 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.410 21.570 -6.766 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.930 21.971 -7.669 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.197 22.658 -6.049 1.00 0.00 H new ATOM 64 N CYS A 6 8.783 22.785 -6.374 1.00 0.00 N ATOM 65 CA CYS A 6 8.101 23.776 -7.185 1.00 0.00 C ATOM 66 C CYS A 6 8.895 25.079 -7.186 1.00 0.00 C ATOM 67 O CYS A 6 8.778 25.886 -6.265 1.00 0.00 O ATOM 68 CB CYS A 6 6.676 23.967 -6.655 1.00 0.00 C ATOM 69 SG CYS A 6 5.475 22.667 -7.067 1.00 0.00 S ATOM 0 H CYS A 6 8.669 22.931 -5.371 1.00 0.00 H new ATOM 0 HA CYS A 6 8.032 23.438 -8.219 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.725 24.054 -5.570 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.295 24.915 -7.034 1.00 0.00 H new ATOM 74 N GLY A 7 9.700 25.264 -8.241 1.00 0.00 N ATOM 75 CA GLY A 7 10.529 26.436 -8.454 1.00 0.00 C ATOM 76 C GLY A 7 11.736 26.437 -7.523 1.00 0.00 C ATOM 77 O GLY A 7 12.842 26.110 -7.948 1.00 0.00 O ATOM 0 H GLY A 7 9.788 24.575 -8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.866 26.462 -9.490 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.938 27.337 -8.288 1.00 0.00 H new ATOM 81 N SER A 8 11.509 26.815 -6.260 1.00 0.00 N ATOM 82 CA SER A 8 12.531 26.894 -5.225 1.00 0.00 C ATOM 83 C SER A 8 12.070 26.296 -3.887 1.00 0.00 C ATOM 84 O SER A 8 12.901 26.154 -2.989 1.00 0.00 O ATOM 85 CB SER A 8 12.960 28.358 -5.064 1.00 0.00 C ATOM 86 OG SER A 8 14.078 28.466 -4.208 1.00 0.00 O ATOM 0 H SER A 8 10.582 27.080 -5.926 1.00 0.00 H new ATOM 0 HA SER A 8 13.383 26.291 -5.538 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.202 28.779 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.132 28.941 -4.662 1.00 0.00 H new ATOM 0 HG SER A 8 14.016 27.790 -3.502 1.00 0.00 H new ATOM 92 N THR A 9 10.782 25.936 -3.738 1.00 0.00 N ATOM 93 CA THR A 9 10.240 25.371 -2.507 1.00 0.00 C ATOM 94 C THR A 9 10.121 23.853 -2.651 1.00 0.00 C ATOM 95 O THR A 9 9.649 23.371 -3.678 1.00 0.00 O ATOM 96 CB THR A 9 8.901 26.051 -2.156 1.00 0.00 C ATOM 97 OG1 THR A 9 8.795 26.175 -0.752 1.00 0.00 O ATOM 98 CG2 THR A 9 7.654 25.332 -2.671 1.00 0.00 C ATOM 0 H THR A 9 10.089 26.033 -4.480 1.00 0.00 H new ATOM 0 HA THR A 9 10.915 25.564 -1.673 1.00 0.00 H new ATOM 0 HB THR A 9 8.927 27.017 -2.659 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.946 26.608 -0.525 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.765 25.887 -2.373 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.694 25.267 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.613 24.328 -2.249 1.00 0.00 H new ATOM 106 N ASN A 10 10.546 23.106 -1.626 1.00 0.00 N ATOM 107 CA ASN A 10 10.511 21.650 -1.615 1.00 0.00 C ATOM 108 C ASN A 10 9.234 21.140 -0.942 1.00 0.00 C ATOM 109 O ASN A 10 8.634 21.832 -0.120 1.00 0.00 O ATOM 110 CB ASN A 10 11.764 21.118 -0.907 1.00 0.00 C ATOM 111 CG ASN A 10 11.829 19.590 -0.922 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.701 18.951 0.119 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.019 19.001 -2.105 1.00 0.00 N ATOM 0 H ASN A 10 10.929 23.508 -0.770 1.00 0.00 H new ATOM 0 HA ASN A 10 10.504 21.283 -2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.653 21.523 -1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.774 21.471 0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.062 17.984 -2.167 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.121 19.568 -2.947 1.00 0.00 H new ATOM 120 N TYR A 11 8.824 19.921 -1.314 1.00 0.00 N ATOM 121 CA TYR A 11 7.658 19.231 -0.788 1.00 0.00 C ATOM 122 C TYR A 11 7.956 17.735 -0.728 1.00 0.00 C ATOM 123 O TYR A 11 8.352 17.144 -1.731 1.00 0.00 O ATOM 124 CB TYR A 11 6.435 19.435 -1.691 1.00 0.00 C ATOM 125 CG TYR A 11 5.837 20.823 -1.716 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.134 21.290 -0.591 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.965 21.643 -2.853 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.559 22.570 -0.604 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.388 22.927 -2.861 1.00 0.00 C ATOM 130 CZ TYR A 11 4.685 23.391 -1.737 1.00 0.00 C ATOM 131 OH TYR A 11 4.122 24.635 -1.750 1.00 0.00 O ATOM 0 H TYR A 11 9.320 19.374 -2.017 1.00 0.00 H new ATOM 0 HA TYR A 11 7.441 19.635 0.201 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.715 19.166 -2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.660 18.735 -1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.037 20.663 0.283 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.505 21.288 -3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.018 22.925 0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.486 23.557 -3.733 1.00 0.00 H new ATOM 0 HH TYR A 11 4.493 25.154 -2.493 1.00 0.00 H new ATOM 141 N SER A 12 7.766 17.134 0.452 1.00 0.00 N ATOM 142 CA SER A 12 7.957 15.709 0.679 1.00 0.00 C ATOM 143 C SER A 12 6.853 14.967 -0.044 1.00 0.00 C ATOM 144 O SER A 12 5.789 15.530 -0.298 1.00 0.00 O ATOM 145 CB SER A 12 7.920 15.421 2.184 1.00 0.00 C ATOM 146 OG SER A 12 8.083 14.042 2.435 1.00 0.00 O ATOM 0 H SER A 12 7.470 17.639 1.287 1.00 0.00 H new ATOM 0 HA SER A 12 8.924 15.380 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.708 15.982 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.972 15.761 2.601 1.00 0.00 H new ATOM 0 HG SER A 12 8.058 13.880 3.401 1.00 0.00 H new ATOM 152 N ALA A 13 7.106 13.700 -0.389 1.00 0.00 N ATOM 153 CA ALA A 13 6.091 12.882 -1.028 1.00 0.00 C ATOM 154 C ALA A 13 4.895 12.782 -0.077 1.00 0.00 C ATOM 155 O ALA A 13 3.804 12.422 -0.505 1.00 0.00 O ATOM 156 CB ALA A 13 6.655 11.493 -1.338 1.00 0.00 C ATOM 0 H ALA A 13 7.998 13.230 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 13 5.777 13.331 -1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.886 10.887 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.511 11.589 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.970 11.013 -0.411 1.00 0.00 H new ATOM 162 N SER A 14 5.112 13.118 1.206 1.00 0.00 N ATOM 163 CA SER A 14 4.088 13.106 2.234 1.00 0.00 C ATOM 164 C SER A 14 3.183 14.333 2.068 1.00 0.00 C ATOM 165 O SER A 14 1.975 14.232 2.258 1.00 0.00 O ATOM 166 CB SER A 14 4.763 13.109 3.610 1.00 0.00 C ATOM 167 OG SER A 14 3.788 13.069 4.630 1.00 0.00 O ATOM 0 H SER A 14 6.026 13.409 1.552 1.00 0.00 H new ATOM 0 HA SER A 14 3.473 12.210 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.429 12.250 3.699 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.378 14.002 3.720 1.00 0.00 H new ATOM 0 HG SER A 14 4.230 13.070 5.505 1.00 0.00 H new ATOM 173 N GLN A 15 3.769 15.482 1.701 1.00 0.00 N ATOM 174 CA GLN A 15 3.098 16.762 1.509 1.00 0.00 C ATOM 175 C GLN A 15 2.298 16.775 0.209 1.00 0.00 C ATOM 176 O GLN A 15 1.120 17.132 0.209 1.00 0.00 O ATOM 177 CB GLN A 15 4.136 17.893 1.555 1.00 0.00 C ATOM 178 CG GLN A 15 4.987 17.875 2.836 1.00 0.00 C ATOM 179 CD GLN A 15 4.411 18.709 3.974 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.001 19.719 4.349 1.00 0.00 O ATOM 181 NE2 GLN A 15 3.272 18.290 4.533 1.00 0.00 N ATOM 0 H GLN A 15 4.772 15.539 1.523 1.00 0.00 H new ATOM 0 HA GLN A 15 2.382 16.918 2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.792 17.812 0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.624 18.852 1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.096 16.844 3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.987 18.241 2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.816 17.445 4.189 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.859 18.815 5.303 1.00 0.00 H new ATOM 190 N VAL A 16 2.957 16.395 -0.891 1.00 0.00 N ATOM 191 CA VAL A 16 2.374 16.306 -2.225 1.00 0.00 C ATOM 192 C VAL A 16 1.156 15.376 -2.136 1.00 0.00 C ATOM 193 O VAL A 16 0.078 15.707 -2.627 1.00 0.00 O ATOM 194 CB VAL A 16 3.398 15.757 -3.236 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.786 15.722 -4.636 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.638 16.654 -3.309 1.00 0.00 C ATOM 0 H VAL A 16 3.943 16.133 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 16 2.076 17.295 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 16 3.676 14.758 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.518 15.332 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.906 15.078 -4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.497 16.730 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.343 16.242 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.344 17.656 -3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.110 16.703 -2.328 1.00 0.00 H new ATOM 206 N ARG A 17 1.349 14.214 -1.489 1.00 0.00 N ATOM 207 CA ARG A 17 0.320 13.199 -1.312 1.00 0.00 C ATOM 208 C ARG A 17 -0.772 13.656 -0.349 1.00 0.00 C ATOM 209 O ARG A 17 -1.925 13.315 -0.575 1.00 0.00 O ATOM 210 CB ARG A 17 0.932 11.871 -0.847 1.00 0.00 C ATOM 211 CG ARG A 17 -0.117 10.757 -0.755 1.00 0.00 C ATOM 212 CD ARG A 17 0.508 9.444 -0.281 1.00 0.00 C ATOM 213 NE ARG A 17 -0.525 8.407 -0.155 1.00 0.00 N ATOM 214 CZ ARG A 17 -0.559 7.417 0.756 1.00 0.00 C ATOM 215 NH1 ARG A 17 0.420 7.254 1.657 1.00 0.00 N ATOM 216 NH2 ARG A 17 -1.604 6.576 0.763 1.00 0.00 N ATOM 0 H ARG A 17 2.243 13.958 -1.070 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.147 13.042 -2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.719 11.572 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.401 12.009 0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.908 11.055 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.581 10.610 -1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.273 9.121 -0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.002 9.594 0.679 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.293 8.441 -0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.218 7.890 1.664 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.367 6.494 2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.357 6.692 0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.646 5.820 1.447 1.00 0.00 H new ATOM 230 N ALA A 18 -0.447 14.399 0.720 1.00 0.00 N ATOM 231 CA ALA A 18 -1.461 14.850 1.672 1.00 0.00 C ATOM 232 C ALA A 18 -2.466 15.757 0.968 1.00 0.00 C ATOM 233 O ALA A 18 -3.677 15.542 1.050 1.00 0.00 O ATOM 234 CB ALA A 18 -0.809 15.571 2.857 1.00 0.00 C ATOM 0 H ALA A 18 0.503 14.696 0.942 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.990 13.981 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.581 15.898 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.126 14.891 3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.255 16.438 2.496 1.00 0.00 H new ATOM 240 N ALA A 19 -1.943 16.765 0.259 1.00 0.00 N ATOM 241 CA ALA A 19 -2.737 17.727 -0.482 1.00 0.00 C ATOM 242 C ALA A 19 -3.573 17.036 -1.558 1.00 0.00 C ATOM 243 O ALA A 19 -4.693 17.465 -1.819 1.00 0.00 O ATOM 244 CB ALA A 19 -1.817 18.787 -1.090 1.00 0.00 C ATOM 0 H ALA A 19 -0.939 16.929 0.189 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.432 18.215 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.413 19.510 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.276 19.299 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.105 18.308 -1.763 1.00 0.00 H new ATOM 250 N ALA A 20 -3.041 15.967 -2.170 1.00 0.00 N ATOM 251 CA ALA A 20 -3.741 15.240 -3.218 1.00 0.00 C ATOM 252 C ALA A 20 -4.768 14.241 -2.712 1.00 0.00 C ATOM 253 O ALA A 20 -5.781 14.032 -3.374 1.00 0.00 O ATOM 254 CB ALA A 20 -2.752 14.604 -4.191 1.00 0.00 C ATOM 0 H ALA A 20 -2.119 15.591 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.328 15.984 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.299 14.066 -4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.143 15.382 -4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.108 13.909 -3.652 1.00 0.00 H new ATOM 260 N ASN A 21 -4.517 13.616 -1.561 1.00 0.00 N ATOM 261 CA ASN A 21 -5.449 12.683 -0.953 1.00 0.00 C ATOM 262 C ASN A 21 -6.642 13.517 -0.458 1.00 0.00 C ATOM 263 O ASN A 21 -7.755 13.009 -0.313 1.00 0.00 O ATOM 264 CB ASN A 21 -4.754 11.936 0.195 1.00 0.00 C ATOM 265 CG ASN A 21 -5.636 10.867 0.843 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.618 10.413 0.260 1.00 0.00 O ATOM 267 ND2 ASN A 21 -5.274 10.454 2.061 1.00 0.00 N ATOM 0 H ASN A 21 -3.658 13.747 -1.028 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.794 11.926 -1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.846 11.467 -0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.449 12.655 0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.820 9.737 2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.452 10.855 2.512 1.00 0.00 H new ATOM 274 N ALA A 22 -6.404 14.818 -0.220 1.00 0.00 N ATOM 275 CA ALA A 22 -7.424 15.723 0.266 1.00 0.00 C ATOM 276 C ALA A 22 -8.236 16.116 -0.952 1.00 0.00 C ATOM 277 O ALA A 22 -9.452 15.993 -0.936 1.00 0.00 O ATOM 278 CB ALA A 22 -6.776 16.918 0.934 1.00 0.00 C ATOM 0 H ALA A 22 -5.495 15.258 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.067 15.267 1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.549 17.595 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.166 16.580 1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.146 17.440 0.214 1.00 0.00 H new ATOM 284 N ALA A 23 -7.545 16.599 -1.993 1.00 0.00 N ATOM 285 CA ALA A 23 -8.139 16.969 -3.273 1.00 0.00 C ATOM 286 C ALA A 23 -9.027 15.835 -3.798 1.00 0.00 C ATOM 287 O ALA A 23 -10.076 16.093 -4.376 1.00 0.00 O ATOM 288 CB ALA A 23 -7.031 17.241 -4.288 1.00 0.00 C ATOM 0 H ALA A 23 -6.536 16.744 -1.962 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.746 17.863 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.474 17.518 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.402 18.056 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.425 16.344 -4.414 1.00 0.00 H new ATOM 294 N CYS A 24 -8.588 14.584 -3.603 1.00 0.00 N ATOM 295 CA CYS A 24 -9.277 13.361 -3.991 1.00 0.00 C ATOM 296 C CYS A 24 -10.629 13.289 -3.286 1.00 0.00 C ATOM 297 O CYS A 24 -11.662 13.162 -3.939 1.00 0.00 O ATOM 298 CB CYS A 24 -8.380 12.165 -3.620 1.00 0.00 C ATOM 299 SG CYS A 24 -9.147 10.601 -3.106 1.00 0.00 S ATOM 0 H CYS A 24 -7.696 14.396 -3.146 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.465 13.343 -5.065 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.747 11.951 -4.481 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.722 12.487 -2.813 1.00 0.00 H new ATOM 304 N GLN A 25 -10.611 13.382 -1.953 1.00 0.00 N ATOM 305 CA GLN A 25 -11.808 13.309 -1.128 1.00 0.00 C ATOM 306 C GLN A 25 -12.726 14.531 -1.252 1.00 0.00 C ATOM 307 O GLN A 25 -13.940 14.383 -1.122 1.00 0.00 O ATOM 308 CB GLN A 25 -11.387 13.134 0.337 1.00 0.00 C ATOM 309 CG GLN A 25 -10.752 11.761 0.588 1.00 0.00 C ATOM 310 CD GLN A 25 -10.162 11.676 1.994 1.00 0.00 C ATOM 311 OE1 GLN A 25 -8.944 11.639 2.158 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.025 11.638 3.013 1.00 0.00 N ATOM 0 H GLN A 25 -9.753 13.511 -1.416 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.387 12.457 -1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.678 13.917 0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.257 13.255 0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.502 10.981 0.457 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.970 11.578 -0.149 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.028 11.671 2.833 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.680 11.576 3.971 1.00 0.00 H new ATOM 321 N TYR A 26 -12.172 15.724 -1.512 1.00 0.00 N ATOM 322 CA TYR A 26 -12.935 16.965 -1.593 1.00 0.00 C ATOM 323 C TYR A 26 -13.444 17.295 -2.998 1.00 0.00 C ATOM 324 O TYR A 26 -14.453 17.990 -3.109 1.00 0.00 O ATOM 325 CB TYR A 26 -12.153 18.151 -0.998 1.00 0.00 C ATOM 326 CG TYR A 26 -11.438 17.984 0.342 1.00 0.00 C ATOM 327 CD1 TYR A 26 -11.688 16.900 1.212 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.499 18.960 0.724 1.00 0.00 C ATOM 329 CE1 TYR A 26 -10.995 16.790 2.429 1.00 0.00 C ATOM 330 CE2 TYR A 26 -9.818 18.858 1.948 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.061 17.771 2.801 1.00 0.00 C ATOM 332 OH TYR A 26 -9.388 17.667 3.982 1.00 0.00 O ATOM 0 H TYR A 26 -11.173 15.849 -1.672 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.824 16.793 -0.986 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.405 18.450 -1.732 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -12.850 18.983 -0.895 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.417 16.151 0.940 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.300 19.796 0.069 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.181 15.949 3.080 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.106 19.618 2.233 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.781 18.430 4.081 1.00 0.00 H new ATOM 342 N TYR A 27 -12.772 16.827 -4.067 1.00 0.00 N ATOM 343 CA TYR A 27 -13.216 17.089 -5.435 1.00 0.00 C ATOM 344 C TYR A 27 -14.603 16.469 -5.663 1.00 0.00 C ATOM 345 O TYR A 27 -15.410 17.017 -6.412 1.00 0.00 O ATOM 346 CB TYR A 27 -12.170 16.699 -6.503 1.00 0.00 C ATOM 347 CG TYR A 27 -12.726 16.768 -7.916 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.431 17.913 -8.341 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.558 15.688 -8.806 1.00 0.00 C ATOM 350 CE1 TYR A 27 -13.978 17.963 -9.631 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.104 15.743 -10.097 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.824 16.877 -10.508 1.00 0.00 C ATOM 353 OH TYR A 27 -14.370 16.937 -11.757 1.00 0.00 O ATOM 0 H TYR A 27 -11.922 16.267 -4.002 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.317 18.167 -5.559 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.309 17.362 -6.422 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.814 15.688 -6.305 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.550 18.752 -7.672 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.006 14.814 -8.493 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.520 18.840 -9.952 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.971 14.913 -10.775 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.019 17.670 -11.795 1.00 0.00 H new ATOM 363 N GLN A 28 -14.888 15.335 -5.007 1.00 0.00 N ATOM 364 CA GLN A 28 -16.172 14.646 -5.087 1.00 0.00 C ATOM 365 C GLN A 28 -17.317 15.562 -4.614 1.00 0.00 C ATOM 366 O GLN A 28 -18.475 15.305 -4.934 1.00 0.00 O ATOM 367 CB GLN A 28 -16.100 13.364 -4.245 1.00 0.00 C ATOM 368 CG GLN A 28 -15.114 12.364 -4.862 1.00 0.00 C ATOM 369 CD GLN A 28 -14.910 11.145 -3.966 1.00 0.00 C ATOM 370 OE1 GLN A 28 -15.819 10.334 -3.803 1.00 0.00 O ATOM 371 NE2 GLN A 28 -13.713 11.009 -3.388 1.00 0.00 N ATOM 0 H GLN A 28 -14.217 14.868 -4.397 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.381 14.382 -6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.790 13.608 -3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.089 12.912 -4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.484 12.042 -5.836 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.156 12.855 -5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.986 11.706 -3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.526 10.208 -2.785 1.00 0.00 H new ATOM 380 N ASN A 29 -16.983 16.625 -3.862 1.00 0.00 N ATOM 381 CA ASN A 29 -17.875 17.638 -3.324 1.00 0.00 C ATOM 382 C ASN A 29 -18.642 17.094 -2.122 1.00 0.00 C ATOM 383 O ASN A 29 -19.872 17.048 -2.119 1.00 0.00 O ATOM 384 CB ASN A 29 -18.748 18.271 -4.424 1.00 0.00 C ATOM 385 CG ASN A 29 -19.169 19.696 -4.060 1.00 0.00 C ATOM 386 OD1 ASN A 29 -18.692 20.657 -4.660 1.00 0.00 O ATOM 387 ND2 ASN A 29 -20.060 19.839 -3.077 1.00 0.00 N ATOM 0 H ASN A 29 -16.012 16.801 -3.602 1.00 0.00 H new ATOM 0 HA ASN A 29 -17.285 18.470 -2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.197 18.283 -5.364 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.635 17.658 -4.582 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -20.368 20.771 -2.800 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.433 19.016 -2.603 1.00 0.00 H new ATOM 394 N ASP A 30 -17.881 16.674 -1.104 1.00 0.00 N ATOM 395 CA ASP A 30 -18.388 16.137 0.153 1.00 0.00 C ATOM 396 C ASP A 30 -17.464 16.559 1.300 1.00 0.00 C ATOM 397 O ASP A 30 -17.272 15.814 2.257 1.00 0.00 O ATOM 398 CB ASP A 30 -18.512 14.607 0.056 1.00 0.00 C ATOM 399 CG ASP A 30 -19.414 14.162 -1.093 1.00 0.00 C ATOM 400 OD1 ASP A 30 -20.648 14.232 -0.909 1.00 0.00 O ATOM 401 OD2 ASP A 30 -18.853 13.767 -2.140 1.00 0.00 O ATOM 0 H ASP A 30 -16.862 16.702 -1.139 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.381 16.538 0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -17.521 14.174 -0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -18.907 14.218 0.995 1.00 0.00 H new ATOM 406 N ASP A 31 -16.919 17.774 1.177 1.00 0.00 N ATOM 407 CA ASP A 31 -15.989 18.451 2.074 1.00 0.00 C ATOM 408 C ASP A 31 -15.790 19.851 1.512 1.00 0.00 C ATOM 409 O ASP A 31 -15.517 20.006 0.322 1.00 0.00 O ATOM 410 CB ASP A 31 -14.633 17.733 2.138 1.00 0.00 C ATOM 411 CG ASP A 31 -14.608 16.528 3.075 1.00 0.00 C ATOM 412 OD1 ASP A 31 -14.792 16.746 4.291 1.00 0.00 O ATOM 413 OD2 ASP A 31 -14.398 15.408 2.559 1.00 0.00 O ATOM 0 H ASP A 31 -17.141 18.358 0.371 1.00 0.00 H new ATOM 0 HA ASP A 31 -16.393 18.463 3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.360 17.405 1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.872 18.445 2.459 1.00 0.00 H new ATOM 418 N THR A 32 -15.915 20.863 2.377 1.00 0.00 N ATOM 419 CA THR A 32 -15.780 22.253 1.986 1.00 0.00 C ATOM 420 C THR A 32 -14.320 22.699 1.970 1.00 0.00 C ATOM 421 O THR A 32 -13.806 23.238 2.950 1.00 0.00 O ATOM 422 CB THR A 32 -16.664 23.145 2.873 1.00 0.00 C ATOM 423 OG1 THR A 32 -16.339 22.962 4.235 1.00 0.00 O ATOM 424 CG2 THR A 32 -18.152 22.843 2.661 1.00 0.00 C ATOM 0 H THR A 32 -16.113 20.731 3.369 1.00 0.00 H new ATOM 0 HA THR A 32 -16.134 22.359 0.960 1.00 0.00 H new ATOM 0 HB THR A 32 -16.475 24.180 2.588 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.366 22.996 4.347 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.750 23.490 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.415 23.023 1.619 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.351 21.801 2.911 1.00 0.00 H new ATOM 432 N ALA A 33 -13.667 22.447 0.830 1.00 0.00 N ATOM 433 CA ALA A 33 -12.285 22.814 0.532 1.00 0.00 C ATOM 434 C ALA A 33 -12.169 24.339 0.400 1.00 0.00 C ATOM 435 O ALA A 33 -13.021 25.080 0.891 1.00 0.00 O ATOM 436 CB ALA A 33 -11.885 22.117 -0.774 1.00 0.00 C ATOM 0 H ALA A 33 -14.113 21.957 0.054 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.618 22.499 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.855 22.373 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.971 21.037 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.544 22.444 -1.578 1.00 0.00 H new ATOM 442 N GLY A 34 -11.098 24.800 -0.258 1.00 0.00 N ATOM 443 CA GLY A 34 -10.814 26.208 -0.524 1.00 0.00 C ATOM 444 C GLY A 34 -12.070 26.938 -1.006 1.00 0.00 C ATOM 445 O GLY A 34 -12.403 28.004 -0.491 1.00 0.00 O ATOM 0 H GLY A 34 -10.382 24.177 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.437 26.684 0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.030 26.289 -1.277 1.00 0.00 H new ATOM 449 N SER A 35 -12.750 26.354 -2.005 1.00 0.00 N ATOM 450 CA SER A 35 -13.990 26.839 -2.598 1.00 0.00 C ATOM 451 C SER A 35 -13.884 28.154 -3.382 1.00 0.00 C ATOM 452 O SER A 35 -14.903 28.643 -3.868 1.00 0.00 O ATOM 453 CB SER A 35 -15.096 26.876 -1.530 1.00 0.00 C ATOM 454 OG SER A 35 -16.373 26.971 -2.125 1.00 0.00 O ATOM 0 H SER A 35 -12.428 25.488 -2.437 1.00 0.00 H new ATOM 0 HA SER A 35 -14.253 26.119 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.043 25.977 -0.916 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.937 27.725 -0.866 1.00 0.00 H new ATOM 0 HG SER A 35 -16.326 27.559 -2.907 1.00 0.00 H new ATOM 460 N SER A 36 -12.685 28.741 -3.520 1.00 0.00 N ATOM 461 CA SER A 36 -12.507 29.978 -4.271 1.00 0.00 C ATOM 462 C SER A 36 -12.771 29.664 -5.747 1.00 0.00 C ATOM 463 O SER A 36 -13.711 30.190 -6.341 1.00 0.00 O ATOM 464 CB SER A 36 -11.101 30.542 -4.032 1.00 0.00 C ATOM 465 OG SER A 36 -10.910 30.804 -2.658 1.00 0.00 O ATOM 0 H SER A 36 -11.825 28.371 -3.116 1.00 0.00 H new ATOM 0 HA SER A 36 -13.206 30.748 -3.943 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.352 29.832 -4.382 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.966 31.458 -4.607 1.00 0.00 H new ATOM 0 HG SER A 36 -10.009 31.162 -2.515 1.00 0.00 H new ATOM 471 N THR A 37 -11.930 28.796 -6.311 1.00 0.00 N ATOM 472 CA THR A 37 -11.974 28.296 -7.678 1.00 0.00 C ATOM 473 C THR A 37 -11.150 27.000 -7.711 1.00 0.00 C ATOM 474 O THR A 37 -10.368 26.763 -8.626 1.00 0.00 O ATOM 475 CB THR A 37 -11.543 29.379 -8.685 1.00 0.00 C ATOM 476 OG1 THR A 37 -11.647 28.889 -10.006 1.00 0.00 O ATOM 477 CG2 THR A 37 -10.126 29.913 -8.452 1.00 0.00 C ATOM 0 H THR A 37 -11.150 28.400 -5.787 1.00 0.00 H new ATOM 0 HA THR A 37 -12.989 28.053 -7.994 1.00 0.00 H new ATOM 0 HB THR A 37 -12.225 30.216 -8.531 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.161 28.041 -10.080 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.895 30.671 -9.200 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.062 30.354 -7.457 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.411 29.094 -8.533 1.00 0.00 H new ATOM 485 N TYR A 38 -11.337 26.168 -6.677 1.00 0.00 N ATOM 486 CA TYR A 38 -10.676 24.890 -6.445 1.00 0.00 C ATOM 487 C TYR A 38 -11.631 24.120 -5.535 1.00 0.00 C ATOM 488 O TYR A 38 -11.869 24.550 -4.406 1.00 0.00 O ATOM 489 CB TYR A 38 -9.306 25.098 -5.757 1.00 0.00 C ATOM 490 CG TYR A 38 -8.447 26.224 -6.323 1.00 0.00 C ATOM 491 CD1 TYR A 38 -8.654 27.541 -5.868 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.457 25.977 -7.296 1.00 0.00 C ATOM 493 CE1 TYR A 38 -7.889 28.600 -6.383 1.00 0.00 C ATOM 494 CE2 TYR A 38 -6.701 27.038 -7.817 1.00 0.00 C ATOM 495 CZ TYR A 38 -6.919 28.352 -7.368 1.00 0.00 C ATOM 496 OH TYR A 38 -6.190 29.385 -7.880 1.00 0.00 O ATOM 0 H TYR A 38 -12.000 26.391 -5.935 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.472 24.356 -7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.477 25.293 -4.698 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.742 24.167 -5.822 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.406 27.738 -5.118 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.280 24.969 -7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.047 29.605 -6.022 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.948 26.844 -8.567 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.089 30.083 -7.200 1.00 0.00 H new ATOM 506 N PRO A 39 -12.195 22.996 -5.998 1.00 0.00 N ATOM 507 CA PRO A 39 -11.965 22.389 -7.301 1.00 0.00 C ATOM 508 C PRO A 39 -12.555 23.178 -8.476 1.00 0.00 C ATOM 509 O PRO A 39 -13.557 23.876 -8.324 1.00 0.00 O ATOM 510 CB PRO A 39 -12.638 21.023 -7.247 1.00 0.00 C ATOM 511 CG PRO A 39 -13.007 20.799 -5.780 1.00 0.00 C ATOM 512 CD PRO A 39 -13.124 22.206 -5.218 1.00 0.00 C ATOM 0 HA PRO A 39 -10.891 22.351 -7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.524 20.998 -7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.967 20.242 -7.605 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.943 20.250 -5.682 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.243 20.222 -5.259 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.141 22.586 -5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.871 22.231 -4.158 1.00 0.00 H new ATOM 520 N HIS A 40 -11.907 23.056 -9.643 1.00 0.00 N ATOM 521 CA HIS A 40 -12.306 23.669 -10.904 1.00 0.00 C ATOM 522 C HIS A 40 -11.552 22.978 -12.042 1.00 0.00 C ATOM 523 O HIS A 40 -10.401 22.572 -11.869 1.00 0.00 O ATOM 524 CB HIS A 40 -12.131 25.196 -10.929 1.00 0.00 C ATOM 525 CG HIS A 40 -10.824 25.669 -11.519 1.00 0.00 C ATOM 526 ND1 HIS A 40 -10.773 26.482 -12.641 1.00 0.00 N ATOM 527 CD2 HIS A 40 -9.512 25.448 -11.176 1.00 0.00 C ATOM 528 CE1 HIS A 40 -9.476 26.712 -12.912 1.00 0.00 C ATOM 529 NE2 HIS A 40 -8.654 26.109 -12.050 1.00 0.00 N ATOM 0 H HIS A 40 -11.055 22.502 -9.731 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.378 23.521 -11.032 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -12.951 25.633 -11.499 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.213 25.575 -9.910 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.190 24.843 -10.341 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -9.136 27.319 -13.738 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -7.634 26.128 -12.035 1.00 0.00 H new ATOM 537 N THR A 41 -12.216 22.840 -13.195 1.00 0.00 N ATOM 538 CA THR A 41 -11.710 22.209 -14.393 1.00 0.00 C ATOM 539 C THR A 41 -10.462 22.910 -14.930 1.00 0.00 C ATOM 540 O THR A 41 -10.334 24.129 -14.825 1.00 0.00 O ATOM 541 CB THR A 41 -12.837 22.227 -15.435 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.108 22.061 -14.833 1.00 0.00 O ATOM 543 CG2 THR A 41 -12.643 21.091 -16.427 1.00 0.00 C ATOM 0 H THR A 41 -13.168 23.187 -13.311 1.00 0.00 H new ATOM 0 HA THR A 41 -11.408 21.187 -14.166 1.00 0.00 H new ATOM 0 HB THR A 41 -12.798 23.195 -15.934 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.802 22.079 -15.524 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.446 21.110 -17.163 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.685 21.209 -16.932 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.659 20.139 -15.897 1.00 0.00 H new ATOM 551 N TYR A 42 -9.547 22.118 -15.500 1.00 0.00 N ATOM 552 CA TYR A 42 -8.302 22.580 -16.090 1.00 0.00 C ATOM 553 C TYR A 42 -8.006 21.683 -17.290 1.00 0.00 C ATOM 554 O TYR A 42 -7.269 20.704 -17.183 1.00 0.00 O ATOM 555 CB TYR A 42 -7.195 22.571 -15.030 1.00 0.00 C ATOM 556 CG TYR A 42 -5.782 22.874 -15.505 1.00 0.00 C ATOM 557 CD1 TYR A 42 -5.529 23.711 -16.611 1.00 0.00 C ATOM 558 CD2 TYR A 42 -4.702 22.307 -14.807 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.204 23.965 -17.013 1.00 0.00 C ATOM 560 CE2 TYR A 42 -3.380 22.558 -15.208 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.130 23.393 -16.311 1.00 0.00 C ATOM 562 OH TYR A 42 -1.847 23.650 -16.698 1.00 0.00 O ATOM 0 H TYR A 42 -9.664 21.107 -15.561 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.369 23.609 -16.442 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.457 23.297 -14.261 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.190 21.590 -14.554 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.352 24.157 -17.150 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.891 21.672 -13.954 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.013 24.602 -17.864 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.557 22.111 -14.670 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.226 23.177 -16.105 1.00 0.00 H new ATOM 572 N ASN A 43 -8.610 22.035 -18.432 1.00 0.00 N ATOM 573 CA ASN A 43 -8.484 21.324 -19.694 1.00 0.00 C ATOM 574 C ASN A 43 -8.724 22.322 -20.836 1.00 0.00 C ATOM 575 O ASN A 43 -8.569 23.527 -20.634 1.00 0.00 O ATOM 576 CB ASN A 43 -9.467 20.137 -19.694 1.00 0.00 C ATOM 577 CG ASN A 43 -9.065 19.038 -20.675 1.00 0.00 C ATOM 578 OD1 ASN A 43 -9.695 18.873 -21.717 1.00 0.00 O ATOM 579 ND2 ASN A 43 -8.013 18.285 -20.344 1.00 0.00 N ATOM 0 H ASN A 43 -9.218 22.851 -18.497 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.487 20.907 -19.835 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.524 19.718 -18.689 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.464 20.497 -19.947 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.704 17.538 -20.967 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.518 18.456 -19.469 1.00 0.00 H new ATOM 586 N ASN A 44 -9.090 21.836 -22.033 1.00 0.00 N ATOM 587 CA ASN A 44 -9.361 22.633 -23.230 1.00 0.00 C ATOM 588 C ASN A 44 -8.116 23.319 -23.808 1.00 0.00 C ATOM 589 O ASN A 44 -8.224 24.050 -24.791 1.00 0.00 O ATOM 590 CB ASN A 44 -10.506 23.633 -22.994 1.00 0.00 C ATOM 591 CG ASN A 44 -11.741 22.958 -22.402 1.00 0.00 C ATOM 592 OD1 ASN A 44 -12.027 23.112 -21.217 1.00 0.00 O ATOM 593 ND2 ASN A 44 -12.471 22.205 -23.229 1.00 0.00 N ATOM 0 H ASN A 44 -9.209 20.836 -22.195 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.684 21.925 -23.993 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.166 24.421 -22.322 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.771 24.110 -23.937 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -13.304 21.729 -22.884 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -12.195 22.106 -24.206 1.00 0.00 H new ATOM 600 N TYR A 45 -6.937 23.088 -23.215 1.00 0.00 N ATOM 601 CA TYR A 45 -5.671 23.648 -23.652 1.00 0.00 C ATOM 602 C TYR A 45 -4.573 22.852 -22.949 1.00 0.00 C ATOM 603 O TYR A 45 -4.359 23.018 -21.748 1.00 0.00 O ATOM 604 CB TYR A 45 -5.600 25.158 -23.350 1.00 0.00 C ATOM 605 CG TYR A 45 -5.045 25.970 -24.505 1.00 0.00 C ATOM 606 CD1 TYR A 45 -3.688 25.853 -24.856 1.00 0.00 C ATOM 607 CD2 TYR A 45 -5.884 26.832 -25.236 1.00 0.00 C ATOM 608 CE1 TYR A 45 -3.172 26.595 -25.932 1.00 0.00 C ATOM 609 CE2 TYR A 45 -5.369 27.572 -26.314 1.00 0.00 C ATOM 610 CZ TYR A 45 -4.012 27.455 -26.662 1.00 0.00 C ATOM 611 OH TYR A 45 -3.506 28.177 -27.705 1.00 0.00 O ATOM 0 H TYR A 45 -6.846 22.488 -22.395 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.550 23.566 -24.732 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.598 25.521 -23.105 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.978 25.318 -22.469 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.042 25.192 -24.298 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.926 26.925 -24.968 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.129 26.505 -26.199 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.016 28.230 -26.875 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.218 28.720 -28.103 1.00 0.00 H new ATOM 621 N GLU A 46 -3.889 21.979 -23.699 1.00 0.00 N ATOM 622 CA GLU A 46 -2.828 21.127 -23.181 1.00 0.00 C ATOM 623 C GLU A 46 -1.513 21.902 -23.083 1.00 0.00 C ATOM 624 O GLU A 46 -0.572 21.641 -23.831 1.00 0.00 O ATOM 625 CB GLU A 46 -2.698 19.868 -24.051 1.00 0.00 C ATOM 626 CG GLU A 46 -3.984 19.033 -24.017 1.00 0.00 C ATOM 627 CD GLU A 46 -3.803 17.705 -24.746 1.00 0.00 C ATOM 628 OE1 GLU A 46 -3.731 17.746 -25.994 1.00 0.00 O ATOM 629 OE2 GLU A 46 -3.741 16.672 -24.046 1.00 0.00 O ATOM 0 H GLU A 46 -4.064 21.848 -24.695 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.082 20.807 -22.171 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.475 20.155 -25.079 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.861 19.265 -23.699 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.271 18.846 -22.982 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.797 19.595 -24.477 1.00 0.00 H new ATOM 636 N GLY A 47 -1.454 22.851 -22.141 1.00 0.00 N ATOM 637 CA GLY A 47 -0.281 23.672 -21.888 1.00 0.00 C ATOM 638 C GLY A 47 0.722 22.980 -20.960 1.00 0.00 C ATOM 639 O GLY A 47 1.652 23.632 -20.487 1.00 0.00 O ATOM 0 H GLY A 47 -2.238 23.068 -21.526 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.206 23.908 -22.834 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.591 24.618 -21.444 1.00 0.00 H new ATOM 643 N PHE A 48 0.549 21.673 -20.700 1.00 0.00 N ATOM 644 CA PHE A 48 1.425 20.894 -19.842 1.00 0.00 C ATOM 645 C PHE A 48 1.340 19.406 -20.149 1.00 0.00 C ATOM 646 O PHE A 48 0.399 18.945 -20.794 1.00 0.00 O ATOM 647 CB PHE A 48 1.095 21.139 -18.361 1.00 0.00 C ATOM 648 CG PHE A 48 2.100 22.063 -17.724 1.00 0.00 C ATOM 649 CD1 PHE A 48 3.409 21.601 -17.500 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.738 23.373 -17.368 1.00 0.00 C ATOM 651 CE1 PHE A 48 4.364 22.456 -16.924 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.693 24.228 -16.797 1.00 0.00 C ATOM 653 CZ PHE A 48 4.007 23.773 -16.587 1.00 0.00 C ATOM 0 H PHE A 48 -0.220 21.129 -21.092 1.00 0.00 H new ATOM 0 HA PHE A 48 2.445 21.223 -20.042 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.097 21.568 -18.274 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.081 20.189 -17.827 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.680 20.591 -17.770 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.729 23.721 -17.533 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.368 22.103 -16.741 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.419 25.235 -16.519 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.745 24.439 -16.165 1.00 0.00 H new ATOM 663 N ASP A 49 2.354 18.680 -19.666 1.00 0.00 N ATOM 664 CA ASP A 49 2.492 17.245 -19.805 1.00 0.00 C ATOM 665 C ASP A 49 2.432 16.621 -18.414 1.00 0.00 C ATOM 666 O ASP A 49 3.261 16.922 -17.556 1.00 0.00 O ATOM 667 CB ASP A 49 3.796 16.894 -20.524 1.00 0.00 C ATOM 668 CG ASP A 49 3.837 17.487 -21.931 1.00 0.00 C ATOM 669 OD1 ASP A 49 3.229 16.866 -22.829 1.00 0.00 O ATOM 670 OD2 ASP A 49 4.470 18.555 -22.081 1.00 0.00 O ATOM 0 H ASP A 49 3.126 19.102 -19.149 1.00 0.00 H new ATOM 0 HA ASP A 49 1.680 16.846 -20.413 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.642 17.266 -19.947 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.901 15.811 -20.582 1.00 0.00 H new ATOM 675 N PHE A 50 1.438 15.751 -18.215 1.00 0.00 N ATOM 676 CA PHE A 50 1.161 15.038 -16.978 1.00 0.00 C ATOM 677 C PHE A 50 0.856 13.581 -17.338 1.00 0.00 C ATOM 678 O PHE A 50 0.467 13.309 -18.476 1.00 0.00 O ATOM 679 CB PHE A 50 -0.078 15.652 -16.301 1.00 0.00 C ATOM 680 CG PHE A 50 -0.022 17.128 -15.939 1.00 0.00 C ATOM 681 CD1 PHE A 50 1.129 17.686 -15.350 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.142 17.947 -16.185 1.00 0.00 C ATOM 683 CE1 PHE A 50 1.163 19.050 -15.014 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.109 19.311 -15.846 1.00 0.00 C ATOM 685 CZ PHE A 50 0.042 19.862 -15.257 1.00 0.00 C ATOM 0 H PHE A 50 0.775 15.517 -18.954 1.00 0.00 H new ATOM 0 HA PHE A 50 2.013 15.103 -16.301 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.932 15.500 -16.961 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.276 15.089 -15.389 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.989 17.063 -15.156 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.029 17.526 -16.635 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.051 19.474 -14.569 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.969 19.936 -16.038 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.065 20.909 -14.991 1.00 0.00 H new ATOM 695 N PRO A 51 1.029 12.625 -16.406 1.00 0.00 N ATOM 696 CA PRO A 51 0.729 11.220 -16.643 1.00 0.00 C ATOM 697 C PRO A 51 -0.764 11.065 -16.953 1.00 0.00 C ATOM 698 O PRO A 51 -1.550 11.974 -16.687 1.00 0.00 O ATOM 699 CB PRO A 51 1.142 10.477 -15.368 1.00 0.00 C ATOM 700 CG PRO A 51 1.103 11.564 -14.298 1.00 0.00 C ATOM 701 CD PRO A 51 1.540 12.812 -15.062 1.00 0.00 C ATOM 0 HA PRO A 51 1.267 10.811 -17.498 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.456 9.662 -15.138 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.136 10.040 -15.461 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.105 11.678 -13.875 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.776 11.341 -13.471 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.134 13.716 -14.607 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.625 12.915 -15.063 1.00 0.00 H new ATOM 709 N VAL A 52 -1.147 9.916 -17.525 1.00 0.00 N ATOM 710 CA VAL A 52 -2.513 9.592 -17.931 1.00 0.00 C ATOM 711 C VAL A 52 -3.023 10.600 -18.978 1.00 0.00 C ATOM 712 O VAL A 52 -2.224 11.344 -19.548 1.00 0.00 O ATOM 713 CB VAL A 52 -3.460 9.296 -16.741 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.846 8.255 -15.799 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.924 10.499 -15.907 1.00 0.00 C ATOM 0 H VAL A 52 -0.488 9.163 -17.723 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.502 8.631 -18.445 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.358 8.923 -17.234 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.530 8.065 -14.972 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.670 7.328 -16.346 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.900 8.631 -15.409 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.581 10.156 -15.108 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.057 10.998 -15.475 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.464 11.198 -16.546 1.00 0.00 H new ATOM 725 N ASP A 53 -4.335 10.631 -19.247 1.00 0.00 N ATOM 726 CA ASP A 53 -4.961 11.519 -20.228 1.00 0.00 C ATOM 727 C ASP A 53 -5.876 12.574 -19.597 1.00 0.00 C ATOM 728 O ASP A 53 -6.207 13.558 -20.257 1.00 0.00 O ATOM 729 CB ASP A 53 -5.694 10.692 -21.296 1.00 0.00 C ATOM 730 CG ASP A 53 -6.785 9.756 -20.765 1.00 0.00 C ATOM 731 OD1 ASP A 53 -7.055 9.780 -19.544 1.00 0.00 O ATOM 732 OD2 ASP A 53 -7.334 9.013 -21.607 1.00 0.00 O ATOM 0 H ASP A 53 -5.005 10.023 -18.775 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.161 12.084 -20.707 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.144 11.376 -22.016 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.960 10.096 -21.838 1.00 0.00 H new ATOM 737 N GLY A 54 -6.285 12.381 -18.336 1.00 0.00 N ATOM 738 CA GLY A 54 -7.151 13.299 -17.616 1.00 0.00 C ATOM 739 C GLY A 54 -8.618 12.881 -17.742 1.00 0.00 C ATOM 740 O GLY A 54 -8.889 11.705 -17.985 1.00 0.00 O ATOM 0 H GLY A 54 -6.014 11.566 -17.786 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.865 13.325 -16.564 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.022 14.308 -18.006 1.00 0.00 H new ATOM 744 N PRO A 55 -9.579 13.809 -17.572 1.00 0.00 N ATOM 745 CA PRO A 55 -9.400 15.227 -17.255 1.00 0.00 C ATOM 746 C PRO A 55 -8.741 15.463 -15.889 1.00 0.00 C ATOM 747 O PRO A 55 -8.379 14.517 -15.191 1.00 0.00 O ATOM 748 CB PRO A 55 -10.808 15.843 -17.279 1.00 0.00 C ATOM 749 CG PRO A 55 -11.667 14.825 -18.027 1.00 0.00 C ATOM 750 CD PRO A 55 -10.992 13.497 -17.703 1.00 0.00 C ATOM 0 HA PRO A 55 -8.728 15.684 -17.981 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.183 16.011 -16.270 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.809 16.809 -17.785 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.702 14.844 -17.687 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.680 15.019 -19.099 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.388 13.069 -16.782 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.162 12.766 -18.493 1.00 0.00 H new ATOM 758 N TYR A 56 -8.597 16.735 -15.497 1.00 0.00 N ATOM 759 CA TYR A 56 -7.976 17.101 -14.231 1.00 0.00 C ATOM 760 C TYR A 56 -8.579 18.379 -13.663 1.00 0.00 C ATOM 761 O TYR A 56 -9.106 19.212 -14.403 1.00 0.00 O ATOM 762 CB TYR A 56 -6.481 17.395 -14.449 1.00 0.00 C ATOM 763 CG TYR A 56 -5.687 16.427 -15.301 1.00 0.00 C ATOM 764 CD1 TYR A 56 -5.106 15.278 -14.734 1.00 0.00 C ATOM 765 CD2 TYR A 56 -5.517 16.691 -16.674 1.00 0.00 C ATOM 766 CE1 TYR A 56 -4.362 14.396 -15.538 1.00 0.00 C ATOM 767 CE2 TYR A 56 -4.772 15.812 -17.474 1.00 0.00 C ATOM 768 CZ TYR A 56 -4.194 14.665 -16.907 1.00 0.00 C ATOM 769 OH TYR A 56 -3.465 13.820 -17.691 1.00 0.00 O ATOM 0 H TYR A 56 -8.909 17.533 -16.051 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.136 16.267 -13.548 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.397 18.384 -14.899 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.004 17.448 -13.470 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.231 15.073 -13.681 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.961 17.573 -17.112 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.920 13.512 -15.103 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.643 16.018 -18.526 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.861 13.292 -17.129 1.00 0.00 H new ATOM 779 N GLN A 57 -8.471 18.510 -12.332 1.00 0.00 N ATOM 780 CA GLN A 57 -8.943 19.647 -11.560 1.00 0.00 C ATOM 781 C GLN A 57 -7.821 20.066 -10.614 1.00 0.00 C ATOM 782 O GLN A 57 -7.064 19.220 -10.132 1.00 0.00 O ATOM 783 CB GLN A 57 -10.235 19.321 -10.806 1.00 0.00 C ATOM 784 CG GLN A 57 -11.361 18.967 -11.793 1.00 0.00 C ATOM 785 CD GLN A 57 -12.616 19.829 -11.675 1.00 0.00 C ATOM 786 OE1 GLN A 57 -12.825 20.537 -10.694 1.00 0.00 O ATOM 787 NE2 GLN A 57 -13.471 19.763 -12.699 1.00 0.00 N ATOM 0 H GLN A 57 -8.034 17.794 -11.751 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.191 20.473 -12.226 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.065 18.487 -10.125 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.533 20.174 -10.197 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.974 19.052 -12.808 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.640 17.924 -11.644 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.264 19.164 -13.498 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.330 20.312 -12.682 1.00 0.00 H new ATOM 796 N GLU A 58 -7.733 21.374 -10.348 1.00 0.00 N ATOM 797 CA GLU A 58 -6.690 21.928 -9.493 1.00 0.00 C ATOM 798 C GLU A 58 -7.028 21.921 -8.002 1.00 0.00 C ATOM 799 O GLU A 58 -8.194 21.888 -7.610 1.00 0.00 O ATOM 800 CB GLU A 58 -6.323 23.346 -9.939 1.00 0.00 C ATOM 801 CG GLU A 58 -5.979 23.442 -11.428 1.00 0.00 C ATOM 802 CD GLU A 58 -5.220 24.727 -11.748 1.00 0.00 C ATOM 803 OE1 GLU A 58 -5.513 25.748 -11.086 1.00 0.00 O ATOM 804 OE2 GLU A 58 -4.353 24.670 -12.646 1.00 0.00 O ATOM 0 H GLU A 58 -8.380 22.070 -10.719 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.835 21.263 -9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.156 24.015 -9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.473 23.695 -9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.377 22.581 -11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.895 23.404 -12.017 1.00 0.00 H new ATOM 811 N PHE A 59 -5.961 21.952 -7.194 1.00 0.00 N ATOM 812 CA PHE A 59 -5.975 21.975 -5.740 1.00 0.00 C ATOM 813 C PHE A 59 -4.678 22.687 -5.333 1.00 0.00 C ATOM 814 O PHE A 59 -3.602 22.117 -5.492 1.00 0.00 O ATOM 815 CB PHE A 59 -6.048 20.544 -5.219 1.00 0.00 C ATOM 816 CG PHE A 59 -6.423 20.482 -3.756 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.781 20.473 -3.394 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.430 20.443 -2.761 1.00 0.00 C ATOM 819 CE1 PHE A 59 -8.148 20.402 -2.043 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.799 20.371 -1.406 1.00 0.00 C ATOM 821 CZ PHE A 59 -7.159 20.339 -1.048 1.00 0.00 C ATOM 0 H PHE A 59 -5.012 21.962 -7.568 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.835 22.498 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.779 19.985 -5.803 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.084 20.057 -5.365 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.543 20.521 -4.158 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.386 20.468 -3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.192 20.396 -1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.038 20.340 -0.640 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.442 20.266 -0.008 1.00 0.00 H new ATOM 831 N PRO A 60 -4.742 23.916 -4.799 1.00 0.00 N ATOM 832 CA PRO A 60 -3.575 24.697 -4.463 1.00 0.00 C ATOM 833 C PRO A 60 -2.940 24.445 -3.084 1.00 0.00 C ATOM 834 O PRO A 60 -3.634 24.467 -2.069 1.00 0.00 O ATOM 835 CB PRO A 60 -4.063 26.128 -4.651 1.00 0.00 C ATOM 836 CG PRO A 60 -5.482 26.063 -4.086 1.00 0.00 C ATOM 837 CD PRO A 60 -5.942 24.660 -4.489 1.00 0.00 C ATOM 0 HA PRO A 60 -2.733 24.421 -5.098 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.443 26.844 -4.112 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.056 26.426 -5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.493 26.198 -3.004 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.122 26.836 -4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.497 24.185 -3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.608 24.701 -5.351 1.00 0.00 H new ATOM 845 N ILE A 61 -1.616 24.205 -3.057 1.00 0.00 N ATOM 846 CA ILE A 61 -0.819 23.972 -1.860 1.00 0.00 C ATOM 847 C ILE A 61 -0.115 25.223 -1.391 1.00 0.00 C ATOM 848 O ILE A 61 -0.050 26.261 -2.046 1.00 0.00 O ATOM 849 CB ILE A 61 0.189 22.839 -2.051 1.00 0.00 C ATOM 850 CG1 ILE A 61 1.002 22.287 -0.860 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.004 22.962 -3.342 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.422 20.837 -1.112 1.00 0.00 C ATOM 0 H ILE A 61 -1.058 24.169 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.524 23.671 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.519 22.016 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.887 22.904 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.406 22.344 0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.700 22.126 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.331 22.950 -4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.562 23.898 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.993 20.470 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.534 20.219 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.038 20.787 -2.010 1.00 0.00 H new ATOM 864 N LYS A 62 0.412 25.009 -0.201 1.00 0.00 N ATOM 865 CA LYS A 62 1.189 25.948 0.605 1.00 0.00 C ATOM 866 C LYS A 62 2.010 25.230 1.667 1.00 0.00 C ATOM 867 O LYS A 62 1.407 24.676 2.581 1.00 0.00 O ATOM 868 CB LYS A 62 0.324 26.951 1.373 1.00 0.00 C ATOM 869 CG LYS A 62 -0.121 28.174 0.569 1.00 0.00 C ATOM 870 CD LYS A 62 -0.871 29.210 1.424 1.00 0.00 C ATOM 871 CE LYS A 62 -0.080 29.706 2.643 1.00 0.00 C ATOM 872 NZ LYS A 62 -0.375 28.916 3.853 1.00 0.00 N ATOM 0 H LYS A 62 0.304 24.110 0.268 1.00 0.00 H new ATOM 0 HA LYS A 62 1.815 26.464 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.563 26.435 1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.880 27.292 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.753 28.645 0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.765 27.851 -0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.127 30.065 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.809 28.773 1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.987 29.654 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.318 30.754 2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.780 29.537 4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.056 28.165 3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.503 28.488 4.211 1.00 0.00 H new ATOM 886 N SER A 63 3.344 25.276 1.537 1.00 0.00 N ATOM 887 CA SER A 63 4.392 24.713 2.397 1.00 0.00 C ATOM 888 C SER A 63 3.929 23.739 3.494 1.00 0.00 C ATOM 889 O SER A 63 4.293 23.896 4.660 1.00 0.00 O ATOM 890 CB SER A 63 5.194 25.885 2.977 1.00 0.00 C ATOM 891 OG SER A 63 4.364 26.699 3.778 1.00 0.00 O ATOM 0 H SER A 63 3.758 25.761 0.741 1.00 0.00 H new ATOM 0 HA SER A 63 5.006 24.071 1.766 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.026 25.506 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.623 26.476 2.168 1.00 0.00 H new ATOM 0 HG SER A 63 4.889 27.442 4.143 1.00 0.00 H new ATOM 897 N GLY A 64 3.122 22.739 3.123 1.00 0.00 N ATOM 898 CA GLY A 64 2.601 21.741 4.040 1.00 0.00 C ATOM 899 C GLY A 64 1.349 22.290 4.714 1.00 0.00 C ATOM 900 O GLY A 64 1.369 22.606 5.902 1.00 0.00 O ATOM 0 H GLY A 64 2.813 22.606 2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.367 20.822 3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.352 21.490 4.789 1.00 0.00 H new ATOM 904 N GLY A 65 0.267 22.406 3.940 1.00 0.00 N ATOM 905 CA GLY A 65 -1.009 22.924 4.400 1.00 0.00 C ATOM 906 C GLY A 65 -2.067 22.656 3.334 1.00 0.00 C ATOM 907 O GLY A 65 -2.004 23.212 2.238 1.00 0.00 O ATOM 0 H GLY A 65 0.261 22.135 2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.292 22.449 5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.933 23.994 4.595 1.00 0.00 H new ATOM 911 N VAL A 66 -3.034 21.797 3.673 1.00 0.00 N ATOM 912 CA VAL A 66 -4.127 21.385 2.808 1.00 0.00 C ATOM 913 C VAL A 66 -5.257 22.421 2.885 1.00 0.00 C ATOM 914 O VAL A 66 -5.589 22.892 3.971 1.00 0.00 O ATOM 915 CB VAL A 66 -4.601 19.992 3.247 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.644 19.419 2.288 1.00 0.00 C ATOM 917 CG2 VAL A 66 -3.438 18.992 3.332 1.00 0.00 C ATOM 0 H VAL A 66 -3.072 21.358 4.593 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.800 21.328 1.770 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.042 20.129 4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.953 18.433 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.510 20.080 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.213 19.335 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.817 18.019 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.966 18.899 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.705 19.347 4.057 1.00 0.00 H new ATOM 927 N TYR A 67 -5.840 22.749 1.723 1.00 0.00 N ATOM 928 CA TYR A 67 -6.917 23.715 1.521 1.00 0.00 C ATOM 929 C TYR A 67 -6.705 25.046 2.251 1.00 0.00 C ATOM 930 O TYR A 67 -7.562 25.503 3.002 1.00 0.00 O ATOM 931 CB TYR A 67 -8.319 23.088 1.646 1.00 0.00 C ATOM 932 CG TYR A 67 -8.924 22.853 3.022 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.467 21.805 3.841 1.00 0.00 C ATOM 934 CD2 TYR A 67 -9.968 23.680 3.482 1.00 0.00 C ATOM 935 CE1 TYR A 67 -9.040 21.584 5.104 1.00 0.00 C ATOM 936 CE2 TYR A 67 -10.546 23.460 4.746 1.00 0.00 C ATOM 937 CZ TYR A 67 -10.085 22.407 5.556 1.00 0.00 C ATOM 938 OH TYR A 67 -10.647 22.181 6.780 1.00 0.00 O ATOM 0 H TYR A 67 -5.550 22.316 0.846 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.865 24.016 0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.010 23.724 1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.291 22.126 1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.669 21.165 3.496 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -10.327 24.487 2.861 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.677 20.781 5.728 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -11.344 24.100 5.094 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.355 22.839 6.941 1.00 0.00 H new ATOM 948 N THR A 68 -5.537 25.655 2.010 1.00 0.00 N ATOM 949 CA THR A 68 -5.111 26.941 2.557 1.00 0.00 C ATOM 950 C THR A 68 -4.614 27.847 1.423 1.00 0.00 C ATOM 951 O THR A 68 -4.794 29.062 1.494 1.00 0.00 O ATOM 952 CB THR A 68 -4.038 26.758 3.642 1.00 0.00 C ATOM 953 OG1 THR A 68 -2.999 25.920 3.180 1.00 0.00 O ATOM 954 CG2 THR A 68 -4.628 26.191 4.938 1.00 0.00 C ATOM 0 H THR A 68 -4.833 25.241 1.399 1.00 0.00 H new ATOM 0 HA THR A 68 -5.966 27.420 3.034 1.00 0.00 H new ATOM 0 HB THR A 68 -3.632 27.745 3.861 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.325 25.817 3.884 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.837 26.077 5.679 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.388 26.873 5.321 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.080 25.220 4.738 1.00 0.00 H new ATOM 962 N GLY A 69 -3.996 27.266 0.380 1.00 0.00 N ATOM 963 CA GLY A 69 -3.488 28.003 -0.767 1.00 0.00 C ATOM 964 C GLY A 69 -4.584 28.749 -1.524 1.00 0.00 C ATOM 965 O GLY A 69 -5.738 28.320 -1.553 1.00 0.00 O ATOM 0 H GLY A 69 -3.839 26.260 0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.735 28.716 -0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.990 27.311 -1.446 1.00 0.00 H new ATOM 969 N GLY A 70 -4.206 29.879 -2.130 1.00 0.00 N ATOM 970 CA GLY A 70 -5.101 30.725 -2.900 1.00 0.00 C ATOM 971 C GLY A 70 -4.380 32.017 -3.275 1.00 0.00 C ATOM 972 O GLY A 70 -3.985 32.190 -4.427 1.00 0.00 O ATOM 0 H GLY A 70 -3.249 30.231 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.428 30.204 -3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.996 30.950 -2.319 1.00 0.00 H new ATOM 976 N SER A 71 -4.214 32.917 -2.297 1.00 0.00 N ATOM 977 CA SER A 71 -3.541 34.196 -2.470 1.00 0.00 C ATOM 978 C SER A 71 -2.944 34.642 -1.128 1.00 0.00 C ATOM 979 O SER A 71 -3.699 35.087 -0.264 1.00 0.00 O ATOM 980 CB SER A 71 -4.541 35.230 -3.003 1.00 0.00 C ATOM 981 OG SER A 71 -3.890 36.466 -3.200 1.00 0.00 O ATOM 0 H SER A 71 -4.553 32.766 -1.347 1.00 0.00 H new ATOM 0 HA SER A 71 -2.730 34.100 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.973 34.882 -3.942 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.364 35.350 -2.299 1.00 0.00 H new ATOM 0 HG SER A 71 -4.532 37.123 -3.542 1.00 0.00 H new ATOM 987 N PRO A 72 -1.616 34.552 -0.925 1.00 0.00 N ATOM 988 CA PRO A 72 -0.621 33.965 -1.816 1.00 0.00 C ATOM 989 C PRO A 72 -0.893 32.493 -2.139 1.00 0.00 C ATOM 990 O PRO A 72 -1.576 31.799 -1.387 1.00 0.00 O ATOM 991 CB PRO A 72 0.722 34.097 -1.087 1.00 0.00 C ATOM 992 CG PRO A 72 0.498 35.241 -0.103 1.00 0.00 C ATOM 993 CD PRO A 72 -0.972 35.072 0.270 1.00 0.00 C ATOM 0 HA PRO A 72 -0.639 34.483 -2.775 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.989 33.174 -0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.532 34.320 -1.781 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.149 35.161 0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.692 36.212 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.088 34.386 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.413 36.022 0.572 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.341 32.026 -3.264 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.482 30.654 -3.715 1.00 0.00 C ATOM 1003 C GLY A 73 0.671 30.295 -4.648 1.00 0.00 C ATOM 1004 O GLY A 73 1.785 30.064 -4.183 1.00 0.00 O ATOM 0 H GLY A 73 0.221 32.604 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.493 29.979 -2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.433 30.528 -4.232 1.00 0.00 H new ATOM 1008 N ALA A 74 0.380 30.243 -5.956 1.00 0.00 N ATOM 1009 CA ALA A 74 1.278 29.916 -7.056 1.00 0.00 C ATOM 1010 C ALA A 74 1.450 28.410 -7.124 1.00 0.00 C ATOM 1011 O ALA A 74 1.108 27.809 -8.133 1.00 0.00 O ATOM 1012 CB ALA A 74 2.625 30.654 -6.997 1.00 0.00 C ATOM 0 H ALA A 74 -0.562 30.445 -6.290 1.00 0.00 H new ATOM 0 HA ALA A 74 0.818 30.271 -7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.239 30.359 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.452 31.730 -7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.140 30.397 -6.072 1.00 0.00 H new ATOM 1018 N ASP A 75 1.964 27.819 -6.043 1.00 0.00 N ATOM 1019 CA ASP A 75 2.232 26.397 -5.907 1.00 0.00 C ATOM 1020 C ASP A 75 0.917 25.625 -5.827 1.00 0.00 C ATOM 1021 O ASP A 75 0.101 25.883 -4.941 1.00 0.00 O ATOM 1022 CB ASP A 75 3.087 26.147 -4.655 1.00 0.00 C ATOM 1023 CG ASP A 75 4.380 26.963 -4.652 1.00 0.00 C ATOM 1024 OD1 ASP A 75 4.317 28.133 -4.214 1.00 0.00 O ATOM 1025 OD2 ASP A 75 5.412 26.405 -5.083 1.00 0.00 O ATOM 0 H ASP A 75 2.213 28.346 -5.206 1.00 0.00 H new ATOM 0 HA ASP A 75 2.784 26.047 -6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.505 26.393 -3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.331 25.087 -4.592 1.00 0.00 H new ATOM 1030 N ARG A 76 0.712 24.681 -6.753 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.497 23.880 -6.771 1.00 0.00 C ATOM 1032 C ARG A 76 -0.301 22.512 -7.400 1.00 0.00 C ATOM 1033 O ARG A 76 0.429 22.366 -8.379 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.630 24.637 -7.464 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.356 25.055 -8.912 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.636 25.663 -9.496 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.247 26.645 -8.587 1.00 0.00 N ATOM 1038 CZ ARG A 76 -2.752 27.839 -8.217 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -1.592 28.304 -8.692 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.430 28.590 -7.341 1.00 0.00 N ATOM 0 H ARG A 76 1.374 24.460 -7.497 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.767 23.702 -5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.524 24.013 -7.447 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.855 25.531 -6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.542 25.779 -8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.043 24.193 -9.502 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.407 26.144 -10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.352 24.868 -9.704 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.152 26.390 -8.191 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.053 27.748 -9.356 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.246 29.215 -8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.315 28.255 -6.960 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.062 29.497 -7.055 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.968 21.520 -6.800 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.961 20.146 -7.262 1.00 0.00 C ATOM 1056 C VAL A 77 -2.243 20.010 -8.075 1.00 0.00 C ATOM 1057 O VAL A 77 -3.239 20.677 -7.795 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.880 19.117 -6.118 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.449 19.223 -5.361 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.036 19.224 -5.117 1.00 0.00 C ATOM 0 H VAL A 77 -1.536 21.662 -5.965 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.071 19.932 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.952 18.145 -6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.472 18.483 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.275 19.040 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.546 20.221 -4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.915 18.470 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.035 20.216 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.982 19.063 -5.635 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.224 19.136 -9.079 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.357 18.935 -9.965 1.00 0.00 C ATOM 1072 C VAL A 78 -3.607 17.433 -10.082 1.00 0.00 C ATOM 1073 O VAL A 78 -2.736 16.687 -10.533 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.049 19.706 -11.260 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.063 19.449 -12.375 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -2.959 21.214 -10.919 1.00 0.00 C ATOM 0 H VAL A 78 -1.419 18.549 -9.297 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.306 19.335 -9.607 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.098 19.347 -11.653 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.786 20.024 -13.259 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.072 18.387 -12.621 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.055 19.753 -12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.741 21.780 -11.825 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.908 21.550 -10.501 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.165 21.375 -10.190 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.811 17.011 -9.661 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.244 15.621 -9.642 1.00 0.00 C ATOM 1088 C ILE A 79 -6.147 15.257 -10.818 1.00 0.00 C ATOM 1089 O ILE A 79 -6.638 16.129 -11.529 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.944 15.304 -8.302 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.315 15.995 -8.159 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.037 15.673 -7.118 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -8.214 15.242 -7.177 1.00 0.00 C ATOM 0 H ILE A 79 -5.524 17.654 -9.316 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.348 15.008 -9.743 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.130 14.230 -8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.175 17.020 -7.815 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.801 16.049 -9.133 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.547 15.442 -6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.111 15.101 -7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.808 16.738 -7.153 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.174 15.753 -7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.373 14.225 -7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.737 15.211 -6.197 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.358 13.946 -10.984 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.186 13.318 -11.999 1.00 0.00 C ATOM 1107 C ASN A 80 -8.634 13.358 -11.514 1.00 0.00 C ATOM 1108 O ASN A 80 -8.892 13.654 -10.346 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.713 11.873 -12.193 1.00 0.00 C ATOM 1110 CG ASN A 80 -7.421 11.154 -13.338 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -8.209 10.241 -13.104 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -7.139 11.568 -14.574 1.00 0.00 N ATOM 0 H ASN A 80 -5.923 13.258 -10.369 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.112 13.838 -12.954 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.639 11.872 -12.381 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.875 11.318 -11.269 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.585 11.122 -15.375 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.477 12.331 -14.718 1.00 0.00 H new ATOM 1119 N THR A 81 -9.583 13.049 -12.405 1.00 0.00 N ATOM 1120 CA THR A 81 -10.998 13.060 -12.141 1.00 0.00 C ATOM 1121 C THR A 81 -11.585 11.912 -11.349 1.00 0.00 C ATOM 1122 O THR A 81 -12.622 11.355 -11.705 1.00 0.00 O ATOM 1123 CB THR A 81 -11.719 13.287 -13.482 1.00 0.00 C ATOM 1124 OG1 THR A 81 -10.931 14.021 -14.390 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.978 14.101 -13.299 1.00 0.00 C ATOM 0 H THR A 81 -9.362 12.776 -13.362 1.00 0.00 H new ATOM 0 HA THR A 81 -11.165 13.877 -11.440 1.00 0.00 H new ATOM 0 HB THR A 81 -11.932 12.288 -13.863 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.107 14.978 -14.276 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.463 14.243 -14.265 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.656 13.576 -12.626 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.725 15.072 -12.874 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.915 11.568 -10.256 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.369 10.540 -9.365 1.00 0.00 C ATOM 1135 C ASN A 82 -10.634 10.810 -8.066 1.00 0.00 C ATOM 1136 O ASN A 82 -11.157 11.457 -7.164 1.00 0.00 O ATOM 1137 CB ASN A 82 -11.114 9.145 -9.972 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.322 7.998 -8.977 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -12.144 8.091 -8.068 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -10.572 6.906 -9.160 1.00 0.00 N ATOM 0 H ASN A 82 -10.038 12.005 -9.973 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.445 10.551 -9.189 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.778 9.001 -10.824 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.094 9.104 -10.353 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -10.671 6.108 -8.532 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.901 6.871 -9.928 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.408 10.295 -8.042 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.471 10.317 -6.928 1.00 0.00 C ATOM 1149 C CYS A 83 -7.035 10.001 -7.376 1.00 0.00 C ATOM 1150 O CYS A 83 -6.503 8.981 -6.938 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.962 9.336 -5.838 1.00 0.00 C ATOM 1152 SG CYS A 83 -10.227 9.971 -4.712 1.00 0.00 S ATOM 0 H CYS A 83 -9.019 9.820 -8.856 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.439 11.325 -6.513 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.355 8.445 -6.329 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -8.102 9.021 -5.247 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.376 10.800 -8.230 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.997 10.441 -8.606 1.00 0.00 C ATOM 1159 C GLU A 84 -4.105 11.644 -8.907 1.00 0.00 C ATOM 1160 O GLU A 84 -4.344 12.352 -9.879 1.00 0.00 O ATOM 1161 CB GLU A 84 -5.016 9.440 -9.777 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.772 8.541 -9.821 1.00 0.00 C ATOM 1163 CD GLU A 84 -2.488 9.300 -10.135 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -2.442 9.927 -11.215 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -1.568 9.235 -9.290 1.00 0.00 O ATOM 0 H GLU A 84 -6.747 11.651 -8.653 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.545 9.967 -7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.906 8.815 -9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.094 9.989 -10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.662 8.038 -8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.920 7.765 -10.572 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.067 11.865 -8.082 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.117 12.956 -8.257 1.00 0.00 C ATOM 1174 C TYR A 85 -1.410 12.816 -9.605 1.00 0.00 C ATOM 1175 O TYR A 85 -0.558 11.943 -9.766 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.094 12.974 -7.108 1.00 0.00 C ATOM 1177 CG TYR A 85 0.078 13.908 -7.359 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.146 15.245 -7.742 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.396 13.435 -7.224 1.00 0.00 C ATOM 1180 CE1 TYR A 85 0.941 16.099 -7.988 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.482 14.286 -7.481 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.257 15.618 -7.871 1.00 0.00 C ATOM 1183 OH TYR A 85 3.317 16.442 -8.122 1.00 0.00 O ATOM 0 H TYR A 85 -2.870 11.281 -7.270 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.659 13.901 -8.240 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.597 13.273 -6.188 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.717 11.963 -6.951 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.156 15.614 -7.847 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.573 12.413 -6.922 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.766 17.127 -8.268 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.492 13.917 -7.379 1.00 0.00 H new ATOM 0 HH TYR A 85 4.153 15.948 -7.993 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.755 13.684 -10.563 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.183 13.655 -11.896 1.00 0.00 C ATOM 1195 C ALA A 86 0.169 14.369 -11.887 1.00 0.00 C ATOM 1196 O ALA A 86 1.201 13.721 -12.044 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.175 14.245 -12.902 1.00 0.00 C ATOM 0 H ALA A 86 -2.442 14.425 -10.426 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.997 12.628 -12.211 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.739 14.220 -13.901 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.094 13.659 -12.893 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.399 15.276 -12.630 1.00 0.00 H new ATOM 1203 N GLY A 87 0.165 15.692 -11.689 1.00 0.00 N ATOM 1204 CA GLY A 87 1.383 16.488 -11.679 1.00 0.00 C ATOM 1205 C GLY A 87 1.173 17.814 -10.953 1.00 0.00 C ATOM 1206 O GLY A 87 0.040 18.175 -10.645 1.00 0.00 O ATOM 0 H GLY A 87 -0.685 16.234 -11.532 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.182 15.928 -11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.704 16.679 -12.703 1.00 0.00 H new ATOM 1210 N ALA A 88 2.276 18.529 -10.689 1.00 0.00 N ATOM 1211 CA ALA A 88 2.277 19.806 -9.988 1.00 0.00 C ATOM 1212 C ALA A 88 2.945 20.898 -10.819 1.00 0.00 C ATOM 1213 O ALA A 88 3.890 20.638 -11.562 1.00 0.00 O ATOM 1214 CB ALA A 88 2.974 19.640 -8.635 1.00 0.00 C ATOM 0 H ALA A 88 3.209 18.223 -10.966 1.00 0.00 H new ATOM 0 HA ALA A 88 1.245 20.118 -9.824 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.977 20.594 -8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.442 18.898 -8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.001 19.310 -8.793 1.00 0.00 H new ATOM 1220 N ILE A 89 2.435 22.127 -10.666 1.00 0.00 N ATOM 1221 CA ILE A 89 2.889 23.329 -11.363 1.00 0.00 C ATOM 1222 C ILE A 89 2.909 24.515 -10.387 1.00 0.00 C ATOM 1223 O ILE A 89 2.340 24.415 -9.299 1.00 0.00 O ATOM 1224 CB ILE A 89 1.991 23.599 -12.588 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.514 23.748 -12.175 1.00 0.00 C ATOM 1226 CG2 ILE A 89 2.165 22.491 -13.634 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.406 24.117 -13.342 1.00 0.00 C ATOM 0 H ILE A 89 1.663 22.315 -10.026 1.00 0.00 H new ATOM 0 HA ILE A 89 3.905 23.185 -11.730 1.00 0.00 H new ATOM 0 HB ILE A 89 2.301 24.543 -13.036 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.171 22.813 -11.733 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.435 24.513 -11.403 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.525 22.697 -14.492 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.205 22.456 -13.958 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.889 21.531 -13.197 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.431 24.206 -12.983 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.087 25.067 -13.770 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.355 23.340 -14.105 1.00 0.00 H new ATOM 1239 N THR A 90 3.562 25.632 -10.757 1.00 0.00 N ATOM 1240 CA THR A 90 3.642 26.799 -9.883 1.00 0.00 C ATOM 1241 C THR A 90 3.883 28.150 -10.575 1.00 0.00 C ATOM 1242 O THR A 90 4.529 28.190 -11.620 1.00 0.00 O ATOM 1243 CB THR A 90 4.746 26.567 -8.835 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.733 27.620 -7.895 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.145 26.488 -9.460 1.00 0.00 C ATOM 0 H THR A 90 4.037 25.743 -11.653 1.00 0.00 H new ATOM 0 HA THR A 90 2.651 26.885 -9.437 1.00 0.00 H new ATOM 0 HB THR A 90 4.536 25.610 -8.357 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.641 27.971 -7.785 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.885 26.324 -8.677 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.180 25.662 -10.171 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.366 27.422 -9.977 1.00 0.00 H new ATOM 1253 N HIS A 91 3.349 29.251 -10.000 1.00 0.00 N ATOM 1254 CA HIS A 91 3.601 30.606 -10.528 1.00 0.00 C ATOM 1255 C HIS A 91 4.985 31.148 -10.102 1.00 0.00 C ATOM 1256 O HIS A 91 5.286 32.304 -10.405 1.00 0.00 O ATOM 1257 CB HIS A 91 2.603 31.732 -10.139 1.00 0.00 C ATOM 1258 CG HIS A 91 1.130 31.501 -10.271 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.189 32.334 -9.683 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.408 30.550 -10.925 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -1.022 31.853 -10.004 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.958 30.759 -10.764 1.00 0.00 N ATOM 0 H HIS A 91 2.746 29.226 -9.177 1.00 0.00 H new ATOM 0 HA HIS A 91 3.502 30.416 -11.597 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.799 31.995 -9.099 1.00 0.00 H new ATOM 0 HB3 HIS A 91 2.850 32.607 -10.741 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.839 29.740 -11.494 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.949 32.304 -9.681 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.729 30.206 -11.139 1.00 0.00 H new ATOM 1270 N THR A 92 5.833 30.361 -9.417 1.00 0.00 N ATOM 1271 CA THR A 92 7.148 30.797 -8.940 1.00 0.00 C ATOM 1272 C THR A 92 8.001 31.521 -9.986 1.00 0.00 C ATOM 1273 O THR A 92 8.516 32.606 -9.718 1.00 0.00 O ATOM 1274 CB THR A 92 7.916 29.625 -8.308 1.00 0.00 C ATOM 1275 OG1 THR A 92 7.131 29.033 -7.293 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.232 30.100 -7.680 1.00 0.00 C ATOM 0 H THR A 92 5.617 29.393 -9.178 1.00 0.00 H new ATOM 0 HA THR A 92 6.945 31.548 -8.176 1.00 0.00 H new ATOM 0 HB THR A 92 8.133 28.905 -9.097 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.623 28.285 -6.893 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.753 29.249 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.859 30.553 -8.448 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.020 30.836 -6.904 1.00 0.00 H new ATOM 1284 N GLY A 93 8.131 30.921 -11.170 1.00 0.00 N ATOM 1285 CA GLY A 93 8.918 31.444 -12.281 1.00 0.00 C ATOM 1286 C GLY A 93 8.015 31.895 -13.426 1.00 0.00 C ATOM 1287 O GLY A 93 8.402 31.792 -14.589 1.00 0.00 O ATOM 0 H GLY A 93 7.678 30.033 -11.386 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.524 32.283 -11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.607 30.677 -12.636 1.00 0.00 H new ATOM 1291 N ALA A 94 6.818 32.392 -13.088 1.00 0.00 N ATOM 1292 CA ALA A 94 5.820 32.859 -14.037 1.00 0.00 C ATOM 1293 C ALA A 94 5.615 34.370 -13.978 1.00 0.00 C ATOM 1294 O ALA A 94 6.052 35.037 -13.040 1.00 0.00 O ATOM 1295 CB ALA A 94 4.499 32.169 -13.723 1.00 0.00 C ATOM 0 H ALA A 94 6.517 32.479 -12.117 1.00 0.00 H new ATOM 0 HA ALA A 94 6.172 32.618 -15.040 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.736 32.506 -14.425 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.622 31.090 -13.812 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.192 32.416 -12.707 1.00 0.00 H new ATOM 1301 N SER A 95 4.931 34.888 -15.005 1.00 0.00 N ATOM 1302 CA SER A 95 4.583 36.290 -15.172 1.00 0.00 C ATOM 1303 C SER A 95 3.104 36.471 -14.825 1.00 0.00 C ATOM 1304 O SER A 95 2.277 36.758 -15.690 1.00 0.00 O ATOM 1305 CB SER A 95 4.899 36.710 -16.607 1.00 0.00 C ATOM 1306 OG SER A 95 4.634 38.084 -16.791 1.00 0.00 O ATOM 0 H SER A 95 4.593 34.308 -15.773 1.00 0.00 H new ATOM 0 HA SER A 95 5.164 36.927 -14.505 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.945 36.503 -16.831 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.302 36.122 -17.304 1.00 0.00 H new ATOM 0 HG SER A 95 4.843 38.337 -17.714 1.00 0.00 H new ATOM 1312 N GLY A 96 2.786 36.285 -13.541 1.00 0.00 N ATOM 1313 CA GLY A 96 1.447 36.426 -12.989 1.00 0.00 C ATOM 1314 C GLY A 96 0.681 35.103 -12.986 1.00 0.00 C ATOM 1315 O GLY A 96 1.019 34.197 -12.226 1.00 0.00 O ATOM 0 H GLY A 96 3.479 36.024 -12.840 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.514 36.807 -11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.893 37.164 -13.569 1.00 0.00 H new ATOM 1319 N ASN A 97 -0.341 34.996 -13.847 1.00 0.00 N ATOM 1320 CA ASN A 97 -1.198 33.817 -13.962 1.00 0.00 C ATOM 1321 C ASN A 97 -0.561 32.689 -14.776 1.00 0.00 C ATOM 1322 O ASN A 97 -1.101 31.584 -14.800 1.00 0.00 O ATOM 1323 CB ASN A 97 -2.549 34.227 -14.564 1.00 0.00 C ATOM 1324 CG ASN A 97 -3.280 35.220 -13.664 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -3.382 36.400 -13.992 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -3.791 34.738 -12.527 1.00 0.00 N ATOM 0 H ASN A 97 -0.596 35.743 -14.493 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.343 33.418 -12.958 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.392 34.672 -15.547 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.168 33.342 -14.710 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.291 35.358 -11.889 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.681 33.750 -12.297 1.00 0.00 H new ATOM 1333 N ASN A 98 0.578 32.948 -15.436 1.00 0.00 N ATOM 1334 CA ASN A 98 1.308 31.962 -16.222 1.00 0.00 C ATOM 1335 C ASN A 98 1.871 30.888 -15.271 1.00 0.00 C ATOM 1336 O ASN A 98 1.664 30.968 -14.057 1.00 0.00 O ATOM 1337 CB ASN A 98 2.358 32.712 -17.060 1.00 0.00 C ATOM 1338 CG ASN A 98 3.203 31.811 -17.957 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.669 31.120 -18.822 1.00 0.00 O ATOM 1340 ND2 ASN A 98 4.523 31.808 -17.746 1.00 0.00 N ATOM 0 H ASN A 98 1.019 33.868 -15.434 1.00 0.00 H new ATOM 0 HA ASN A 98 0.677 31.423 -16.928 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.851 33.451 -17.681 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.019 33.260 -16.388 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.129 31.216 -18.314 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.924 32.398 -17.017 1.00 0.00 H new ATOM 1347 N PHE A 99 2.588 29.882 -15.789 1.00 0.00 N ATOM 1348 CA PHE A 99 3.128 28.807 -14.966 1.00 0.00 C ATOM 1349 C PHE A 99 4.454 28.243 -15.464 1.00 0.00 C ATOM 1350 O PHE A 99 4.906 28.519 -16.574 1.00 0.00 O ATOM 1351 CB PHE A 99 2.107 27.656 -14.998 1.00 0.00 C ATOM 1352 CG PHE A 99 1.010 27.770 -13.972 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.237 27.244 -12.693 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.221 28.379 -14.278 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.248 27.331 -11.706 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.213 28.475 -13.287 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.973 27.951 -12.006 1.00 0.00 C ATOM 0 H PHE A 99 2.805 29.796 -16.782 1.00 0.00 H new ATOM 0 HA PHE A 99 3.307 29.221 -13.974 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.657 27.613 -15.990 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.634 26.714 -14.846 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.180 26.769 -12.468 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.402 28.770 -15.268 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.424 26.924 -10.721 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.157 28.950 -13.510 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.736 28.026 -11.245 1.00 0.00 H new ATOM 1367 N VAL A 100 5.055 27.448 -14.570 1.00 0.00 N ATOM 1368 CA VAL A 100 6.286 26.694 -14.728 1.00 0.00 C ATOM 1369 C VAL A 100 6.023 25.344 -14.061 1.00 0.00 C ATOM 1370 O VAL A 100 5.118 25.207 -13.238 1.00 0.00 O ATOM 1371 CB VAL A 100 7.556 27.390 -14.218 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.922 28.558 -15.132 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.469 27.836 -12.761 1.00 0.00 C ATOM 0 H VAL A 100 4.652 27.310 -13.643 1.00 0.00 H new ATOM 0 HA VAL A 100 6.519 26.586 -15.787 1.00 0.00 H new ATOM 0 HB VAL A 100 8.351 26.645 -14.248 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.824 29.043 -14.759 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.100 28.188 -16.142 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.104 29.278 -15.148 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.402 28.319 -12.472 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.645 28.540 -12.645 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.297 26.968 -12.124 1.00 0.00 H new ATOM 1383 N GLY A 101 6.837 24.353 -14.420 1.00 0.00 N ATOM 1384 CA GLY A 101 6.690 22.991 -13.932 1.00 0.00 C ATOM 1385 C GLY A 101 7.460 22.663 -12.658 1.00 0.00 C ATOM 1386 O GLY A 101 8.521 23.234 -12.411 1.00 0.00 O ATOM 0 H GLY A 101 7.620 24.477 -15.061 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.632 22.799 -13.755 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.012 22.306 -14.716 1.00 0.00 H new ATOM 1390 N CYS A 102 6.909 21.734 -11.858 1.00 0.00 N ATOM 1391 CA CYS A 102 7.520 21.261 -10.620 1.00 0.00 C ATOM 1392 C CYS A 102 8.204 19.930 -10.952 1.00 0.00 C ATOM 1393 O CYS A 102 7.787 19.243 -11.881 1.00 0.00 O ATOM 1394 CB CYS A 102 6.510 21.124 -9.477 1.00 0.00 C ATOM 1395 SG CYS A 102 5.518 22.601 -9.112 1.00 0.00 S ATOM 0 H CYS A 102 6.014 21.289 -12.063 1.00 0.00 H new ATOM 0 HA CYS A 102 8.245 21.988 -10.254 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.832 20.304 -9.714 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.050 20.840 -8.573 1.00 0.00 H new ATOM 1400 N SER A 103 9.238 19.565 -10.182 1.00 0.00 N ATOM 1401 CA SER A 103 10.078 18.374 -10.346 1.00 0.00 C ATOM 1402 C SER A 103 10.320 17.896 -11.786 1.00 0.00 C ATOM 1403 O SER A 103 10.346 16.694 -12.049 1.00 0.00 O ATOM 1404 CB SER A 103 9.603 17.239 -9.441 1.00 0.00 C ATOM 1405 OG SER A 103 8.356 16.738 -9.875 1.00 0.00 O ATOM 0 H SER A 103 9.526 20.127 -9.381 1.00 0.00 H new ATOM 0 HA SER A 103 11.067 18.704 -10.029 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.341 16.437 -9.439 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.519 17.597 -8.415 1.00 0.00 H new ATOM 0 HG SER A 103 7.647 17.071 -9.286 1.00 0.00 H new ATOM 1411 N GLY A 104 10.497 18.840 -12.717 1.00 0.00 N ATOM 1412 CA GLY A 104 10.758 18.564 -14.120 1.00 0.00 C ATOM 1413 C GLY A 104 9.597 17.822 -14.779 1.00 0.00 C ATOM 1414 O GLY A 104 9.805 16.785 -15.407 1.00 0.00 O ATOM 0 H GLY A 104 10.461 19.837 -12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.936 19.501 -14.647 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.667 17.969 -14.210 1.00 0.00 H new ATOM 1418 N THR A 105 8.379 18.365 -14.643 1.00 0.00 N ATOM 1419 CA THR A 105 7.148 17.804 -15.218 1.00 0.00 C ATOM 1420 C THR A 105 6.934 18.154 -16.698 1.00 0.00 C ATOM 1421 O THR A 105 5.808 18.230 -17.187 1.00 0.00 O ATOM 1422 CB THR A 105 5.946 18.206 -14.350 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.791 17.458 -14.672 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.676 19.695 -14.541 1.00 0.00 C ATOM 0 H THR A 105 8.219 19.225 -14.119 1.00 0.00 H new ATOM 0 HA THR A 105 7.253 16.719 -15.209 1.00 0.00 H new ATOM 0 HB THR A 105 6.186 17.996 -13.308 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.682 17.427 -15.645 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.824 19.992 -13.929 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.555 20.266 -14.241 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.456 19.893 -15.590 1.00 0.00 H new ATOM 1432 N ASN A 106 8.041 18.351 -17.405 1.00 0.00 N ATOM 1433 CA ASN A 106 8.103 18.707 -18.815 1.00 0.00 C ATOM 1434 C ASN A 106 8.725 17.554 -19.602 1.00 0.00 C ATOM 1435 O ASN A 106 7.964 16.910 -20.356 1.00 0.00 O ATOM 1436 CB ASN A 106 8.907 20.002 -18.986 1.00 0.00 C ATOM 1437 CG ASN A 106 8.262 21.173 -18.244 1.00 0.00 C ATOM 1438 OD1 ASN A 106 7.458 21.905 -18.818 1.00 0.00 O ATOM 1439 ND2 ASN A 106 8.620 21.357 -16.971 1.00 0.00 N ATOM 1440 OXT ASN A 106 9.897 17.232 -19.308 1.00 0.00 O ATOM 0 H ASN A 106 8.967 18.262 -16.987 1.00 0.00 H new ATOM 0 HA ASN A 106 7.099 18.882 -19.202 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.921 19.852 -18.616 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.987 20.243 -20.046 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.223 22.129 -16.436 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.291 20.725 -16.533 1.00 0.00 H new