USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 476 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 32 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0456 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 26:sc= 1.25 USER MOD Single : A 5 SER OG : rot -75:sc= 1.16 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -146:sc= -0.177 (180deg=-1.17!) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= 0.342 (180deg=0.0984) USER MOD Single : A 25 ASN : amide:sc= -0.386 K(o=-0.39,f=-1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -85:sc= 0.0449! USER MOD Single : A 50 GLN : amide:sc=-0.00328 X(o=-0.0033,f=0) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -1.16 F(o=-2.2,f=-1.2) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 58:sc= 1.17 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0.582 K(o=0.58,f=-5.7!) USER MOD Single : A 66 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=-0.0044) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0264 K(o=-0.026,f=-1.9!) USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= -0.244 (180deg=-1.21) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.637 12.755 -3.324 1.00 0.00 N ATOM 2 CA GLY A 1 -14.507 11.915 -4.127 1.00 0.00 C ATOM 3 C GLY A 1 -15.094 10.775 -3.291 1.00 0.00 C ATOM 4 O GLY A 1 -15.325 10.935 -2.094 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.901 13.753 -3.454 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.736 12.499 -2.321 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.650 12.617 -3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.314 12.516 -4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.947 11.504 -4.967 1.00 0.00 H new ATOM 8 N SER A 2 -15.317 9.650 -3.955 1.00 0.00 N ATOM 9 CA SER A 2 -15.871 8.485 -3.288 1.00 0.00 C ATOM 10 C SER A 2 -14.760 7.479 -2.981 1.00 0.00 C ATOM 11 O SER A 2 -13.729 7.464 -3.653 1.00 0.00 O ATOM 12 CB SER A 2 -16.961 7.830 -4.138 1.00 0.00 C ATOM 13 OG SER A 2 -17.825 7.007 -3.358 1.00 0.00 O ATOM 0 H SER A 2 -15.124 9.521 -4.948 1.00 0.00 H new ATOM 0 HA SER A 2 -16.325 8.811 -2.352 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.548 8.603 -4.634 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.498 7.230 -4.921 1.00 0.00 H new ATOM 0 HG SER A 2 -18.508 6.609 -3.937 1.00 0.00 H new ATOM 18 N SER A 3 -15.007 6.662 -1.969 1.00 0.00 N ATOM 19 CA SER A 3 -14.040 5.654 -1.566 1.00 0.00 C ATOM 20 C SER A 3 -14.677 4.689 -0.565 1.00 0.00 C ATOM 21 O SER A 3 -14.730 3.484 -0.807 1.00 0.00 O ATOM 22 CB SER A 3 -12.793 6.301 -0.961 1.00 0.00 C ATOM 23 OG SER A 3 -11.853 6.686 -1.960 1.00 0.00 O ATOM 0 H SER A 3 -15.863 6.677 -1.415 1.00 0.00 H new ATOM 0 HA SER A 3 -13.735 5.098 -2.452 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.084 7.177 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.322 5.603 -0.270 1.00 0.00 H new ATOM 0 HG SER A 3 -12.322 6.847 -2.805 1.00 0.00 H new ATOM 28 N GLY A 4 -15.144 5.253 0.539 1.00 0.00 N ATOM 29 CA GLY A 4 -15.775 4.458 1.578 1.00 0.00 C ATOM 30 C GLY A 4 -16.630 3.343 0.972 1.00 0.00 C ATOM 31 O GLY A 4 -17.548 3.612 0.199 1.00 0.00 O ATOM 0 H GLY A 4 -15.098 6.253 0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.011 4.025 2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.396 5.098 2.204 1.00 0.00 H new ATOM 35 N SER A 5 -16.300 2.116 1.347 1.00 0.00 N ATOM 36 CA SER A 5 -17.026 0.961 0.850 1.00 0.00 C ATOM 37 C SER A 5 -16.645 -0.283 1.654 1.00 0.00 C ATOM 38 O SER A 5 -15.651 -0.277 2.380 1.00 0.00 O ATOM 39 CB SER A 5 -16.750 0.735 -0.639 1.00 0.00 C ATOM 40 OG SER A 5 -15.357 0.782 -0.936 1.00 0.00 O ATOM 0 H SER A 5 -15.539 1.897 1.990 1.00 0.00 H new ATOM 0 HA SER A 5 -18.093 1.151 0.970 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.153 -0.232 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.271 1.493 -1.224 1.00 0.00 H new ATOM 0 HG SER A 5 -15.049 1.712 -0.913 1.00 0.00 H new ATOM 45 N SER A 6 -17.454 -1.321 1.499 1.00 0.00 N ATOM 46 CA SER A 6 -17.214 -2.569 2.203 1.00 0.00 C ATOM 47 C SER A 6 -18.183 -3.644 1.708 1.00 0.00 C ATOM 48 O SER A 6 -19.322 -3.342 1.353 1.00 0.00 O ATOM 49 CB SER A 6 -17.352 -2.385 3.715 1.00 0.00 C ATOM 50 OG SER A 6 -18.665 -1.970 4.084 1.00 0.00 O ATOM 0 H SER A 6 -18.277 -1.323 0.896 1.00 0.00 H new ATOM 0 HA SER A 6 -16.192 -2.887 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.113 -3.322 4.218 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.628 -1.646 4.058 1.00 0.00 H new ATOM 0 HG SER A 6 -18.714 -1.865 5.057 1.00 0.00 H new ATOM 55 N GLY A 7 -17.696 -4.876 1.699 1.00 0.00 N ATOM 56 CA GLY A 7 -18.506 -5.997 1.253 1.00 0.00 C ATOM 57 C GLY A 7 -19.418 -6.496 2.376 1.00 0.00 C ATOM 58 O GLY A 7 -19.638 -5.792 3.360 1.00 0.00 O ATOM 0 H GLY A 7 -16.751 -5.123 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.109 -5.696 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.859 -6.808 0.918 1.00 0.00 H new ATOM 62 N MET A 8 -19.926 -7.705 2.190 1.00 0.00 N ATOM 63 CA MET A 8 -20.809 -8.306 3.174 1.00 0.00 C ATOM 64 C MET A 8 -20.222 -9.610 3.716 1.00 0.00 C ATOM 65 O MET A 8 -20.142 -10.605 2.997 1.00 0.00 O ATOM 66 CB MET A 8 -22.171 -8.585 2.536 1.00 0.00 C ATOM 67 CG MET A 8 -23.252 -8.760 3.603 1.00 0.00 C ATOM 68 SD MET A 8 -24.848 -8.322 2.934 1.00 0.00 S ATOM 69 CE MET A 8 -25.659 -7.747 4.417 1.00 0.00 C ATOM 0 H MET A 8 -19.743 -8.285 1.371 1.00 0.00 H new ATOM 0 HA MET A 8 -20.923 -7.609 4.004 1.00 0.00 H new ATOM 0 HB2 MET A 8 -22.440 -7.764 1.872 1.00 0.00 H new ATOM 0 HB3 MET A 8 -22.112 -9.484 1.923 1.00 0.00 H new ATOM 0 HG2 MET A 8 -23.266 -9.792 3.952 1.00 0.00 H new ATOM 0 HG3 MET A 8 -23.027 -8.134 4.467 1.00 0.00 H new ATOM 0 HE1 MET A 8 -26.675 -7.432 4.178 1.00 0.00 H new ATOM 0 HE2 MET A 8 -25.692 -8.553 5.150 1.00 0.00 H new ATOM 0 HE3 MET A 8 -25.106 -6.904 4.831 1.00 0.00 H new ATOM 77 N ALA A 9 -19.824 -9.564 4.979 1.00 0.00 N ATOM 78 CA ALA A 9 -19.246 -10.730 5.624 1.00 0.00 C ATOM 79 C ALA A 9 -19.553 -10.683 7.123 1.00 0.00 C ATOM 80 O ALA A 9 -19.984 -9.653 7.640 1.00 0.00 O ATOM 81 CB ALA A 9 -17.744 -10.780 5.339 1.00 0.00 C ATOM 0 H ALA A 9 -19.891 -8.737 5.573 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.684 -11.645 5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.311 -11.655 5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.580 -10.842 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -17.270 -9.879 5.727 1.00 0.00 H new ATOM 87 N SER A 10 -19.319 -11.810 7.778 1.00 0.00 N ATOM 88 CA SER A 10 -19.566 -11.910 9.208 1.00 0.00 C ATOM 89 C SER A 10 -18.237 -11.977 9.964 1.00 0.00 C ATOM 90 O SER A 10 -17.649 -13.049 10.098 1.00 0.00 O ATOM 91 CB SER A 10 -20.425 -13.133 9.534 1.00 0.00 C ATOM 92 OG SER A 10 -21.170 -12.957 10.736 1.00 0.00 O ATOM 0 H SER A 10 -18.961 -12.662 7.346 1.00 0.00 H new ATOM 0 HA SER A 10 -20.113 -11.022 9.525 1.00 0.00 H new ATOM 0 HB2 SER A 10 -21.110 -13.326 8.708 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.785 -14.010 9.629 1.00 0.00 H new ATOM 0 HG SER A 10 -21.707 -13.759 10.909 1.00 0.00 H new ATOM 97 N GLU A 11 -17.804 -10.818 10.438 1.00 0.00 N ATOM 98 CA GLU A 11 -16.557 -10.732 11.178 1.00 0.00 C ATOM 99 C GLU A 11 -15.368 -10.958 10.241 1.00 0.00 C ATOM 100 O GLU A 11 -15.431 -11.797 9.343 1.00 0.00 O ATOM 101 CB GLU A 11 -16.538 -11.729 12.339 1.00 0.00 C ATOM 102 CG GLU A 11 -15.600 -11.255 13.452 1.00 0.00 C ATOM 103 CD GLU A 11 -15.529 -12.283 14.583 1.00 0.00 C ATOM 104 OE1 GLU A 11 -16.603 -12.820 14.930 1.00 0.00 O ATOM 105 OE2 GLU A 11 -14.402 -12.508 15.075 1.00 0.00 O ATOM 0 H GLU A 11 -18.295 -9.931 10.324 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.476 -9.731 11.601 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.546 -11.851 12.735 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.217 -12.706 11.979 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.603 -11.087 13.045 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.949 -10.300 13.845 1.00 0.00 H new ATOM 110 N GLU A 12 -14.312 -10.196 10.483 1.00 0.00 N ATOM 111 CA GLU A 12 -13.111 -10.303 9.673 1.00 0.00 C ATOM 112 C GLU A 12 -11.914 -10.687 10.545 1.00 0.00 C ATOM 113 O GLU A 12 -11.954 -10.529 11.765 1.00 0.00 O ATOM 114 CB GLU A 12 -12.842 -9.000 8.916 1.00 0.00 C ATOM 115 CG GLU A 12 -13.437 -9.052 7.508 1.00 0.00 C ATOM 116 CD GLU A 12 -12.557 -8.292 6.513 1.00 0.00 C ATOM 117 OE1 GLU A 12 -12.451 -7.058 6.676 1.00 0.00 O ATOM 118 OE2 GLU A 12 -12.010 -8.963 5.612 1.00 0.00 O ATOM 0 H GLU A 12 -14.263 -9.502 11.229 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.264 -11.090 8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.270 -8.161 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.768 -8.826 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.539 -10.090 7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.438 -8.621 7.516 1.00 0.00 H new ATOM 123 N LEU A 13 -10.877 -11.183 9.887 1.00 0.00 N ATOM 124 CA LEU A 13 -9.671 -11.592 10.587 1.00 0.00 C ATOM 125 C LEU A 13 -9.164 -10.427 11.440 1.00 0.00 C ATOM 126 O LEU A 13 -9.176 -10.501 12.668 1.00 0.00 O ATOM 127 CB LEU A 13 -8.634 -12.130 9.600 1.00 0.00 C ATOM 128 CG LEU A 13 -8.626 -11.479 8.215 1.00 0.00 C ATOM 129 CD1 LEU A 13 -7.199 -11.150 7.772 1.00 0.00 C ATOM 130 CD2 LEU A 13 -9.355 -12.354 7.194 1.00 0.00 C ATOM 0 H LEU A 13 -10.847 -11.311 8.876 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.885 -12.417 11.267 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.645 -12.010 10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.800 -13.200 9.476 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.169 -10.536 8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.222 -10.688 6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.747 -10.460 8.485 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.610 -12.067 7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.335 -11.868 6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.861 -13.323 7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.389 -12.495 7.508 1.00 0.00 H new ATOM 141 N TYR A 14 -8.729 -9.380 10.755 1.00 0.00 N ATOM 142 CA TYR A 14 -8.218 -8.202 11.434 1.00 0.00 C ATOM 143 C TYR A 14 -8.224 -6.986 10.504 1.00 0.00 C ATOM 144 O TYR A 14 -7.823 -7.085 9.346 1.00 0.00 O ATOM 145 CB TYR A 14 -6.773 -8.528 11.816 1.00 0.00 C ATOM 146 CG TYR A 14 -6.581 -9.940 12.374 1.00 0.00 C ATOM 147 CD1 TYR A 14 -6.863 -10.203 13.700 1.00 0.00 C ATOM 148 CD2 TYR A 14 -6.126 -10.950 11.553 1.00 0.00 C ATOM 149 CE1 TYR A 14 -6.682 -11.531 14.225 1.00 0.00 C ATOM 150 CE2 TYR A 14 -5.946 -12.279 12.077 1.00 0.00 C ATOM 151 CZ TYR A 14 -6.232 -12.504 13.388 1.00 0.00 C ATOM 152 OH TYR A 14 -6.062 -13.759 13.884 1.00 0.00 O ATOM 0 H TYR A 14 -8.720 -9.323 9.737 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.835 -7.961 12.299 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.139 -8.406 10.938 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.432 -7.806 12.558 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.219 -9.412 14.343 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.904 -10.744 10.516 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.899 -11.750 15.260 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.592 -13.079 11.444 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.737 -14.350 13.173 1.00 0.00 H new ATOM 161 N GLU A 15 -8.684 -5.869 11.047 1.00 0.00 N ATOM 162 CA GLU A 15 -8.748 -4.636 10.280 1.00 0.00 C ATOM 163 C GLU A 15 -7.394 -3.923 10.307 1.00 0.00 C ATOM 164 O GLU A 15 -6.861 -3.637 11.378 1.00 0.00 O ATOM 165 CB GLU A 15 -9.859 -3.723 10.802 1.00 0.00 C ATOM 166 CG GLU A 15 -11.195 -4.045 10.129 1.00 0.00 C ATOM 167 CD GLU A 15 -12.330 -4.087 11.155 1.00 0.00 C ATOM 168 OE1 GLU A 15 -12.116 -4.717 12.213 1.00 0.00 O ATOM 169 OE2 GLU A 15 -13.385 -3.486 10.858 1.00 0.00 O ATOM 0 H GLU A 15 -9.016 -5.791 12.008 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.984 -4.886 9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.954 -3.840 11.881 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.596 -2.682 10.617 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.414 -3.294 9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.127 -5.005 9.618 1.00 0.00 H new ATOM 174 N VAL A 16 -6.878 -3.656 9.117 1.00 0.00 N ATOM 175 CA VAL A 16 -5.596 -2.982 8.991 1.00 0.00 C ATOM 176 C VAL A 16 -5.611 -1.708 9.839 1.00 0.00 C ATOM 177 O VAL A 16 -6.431 -0.819 9.617 1.00 0.00 O ATOM 178 CB VAL A 16 -5.288 -2.716 7.516 1.00 0.00 C ATOM 179 CG1 VAL A 16 -4.258 -1.595 7.366 1.00 0.00 C ATOM 180 CG2 VAL A 16 -4.817 -3.991 6.816 1.00 0.00 C ATOM 0 H VAL A 16 -7.324 -3.894 8.231 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.792 -3.614 9.368 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.210 -2.391 7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.056 -1.425 6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.648 -0.680 7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.335 -1.880 7.870 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.605 -3.774 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.913 -4.359 7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.597 -4.750 6.879 1.00 0.00 H new ATOM 190 N GLU A 17 -4.691 -1.660 10.792 1.00 0.00 N ATOM 191 CA GLU A 17 -4.588 -0.510 11.674 1.00 0.00 C ATOM 192 C GLU A 17 -3.831 0.624 10.980 1.00 0.00 C ATOM 193 O GLU A 17 -4.314 1.755 10.924 1.00 0.00 O ATOM 194 CB GLU A 17 -3.915 -0.890 12.994 1.00 0.00 C ATOM 195 CG GLU A 17 -3.378 0.350 13.714 1.00 0.00 C ATOM 196 CD GLU A 17 -2.948 0.010 15.142 1.00 0.00 C ATOM 197 OE1 GLU A 17 -3.545 -0.930 15.707 1.00 0.00 O ATOM 198 OE2 GLU A 17 -2.030 0.701 15.636 1.00 0.00 O ATOM 0 H GLU A 17 -4.011 -2.398 10.972 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.595 -0.162 11.904 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.630 -1.406 13.635 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.098 -1.586 12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.531 0.757 13.162 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.146 1.124 13.736 1.00 0.00 H new ATOM 203 N ARG A 18 -2.658 0.284 10.468 1.00 0.00 N ATOM 204 CA ARG A 18 -1.830 1.259 9.779 1.00 0.00 C ATOM 205 C ARG A 18 -0.506 0.623 9.349 1.00 0.00 C ATOM 206 O ARG A 18 -0.166 -0.471 9.795 1.00 0.00 O ATOM 207 CB ARG A 18 -1.540 2.466 10.675 1.00 0.00 C ATOM 208 CG ARG A 18 -0.331 2.204 11.574 1.00 0.00 C ATOM 209 CD ARG A 18 -0.081 3.385 12.514 1.00 0.00 C ATOM 210 NE ARG A 18 -1.237 3.565 13.420 1.00 0.00 N ATOM 211 CZ ARG A 18 -1.214 4.316 14.529 1.00 0.00 C ATOM 212 NH1 ARG A 18 -0.091 4.961 14.877 1.00 0.00 N ATOM 213 NH2 ARG A 18 -2.311 4.420 15.291 1.00 0.00 N ATOM 0 H ARG A 18 -2.261 -0.654 10.516 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.378 1.596 8.899 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.355 3.345 10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.413 2.686 11.289 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.497 1.299 12.158 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.553 2.030 10.960 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.824 3.212 13.096 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.082 4.294 11.934 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.107 3.087 13.185 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.744 4.879 14.297 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.072 5.533 15.721 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.164 3.927 15.027 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.293 4.992 16.135 1.00 0.00 H new ATOM 224 N ILE A 19 0.205 1.337 8.488 1.00 0.00 N ATOM 225 CA ILE A 19 1.483 0.856 7.994 1.00 0.00 C ATOM 226 C ILE A 19 2.610 1.456 8.837 1.00 0.00 C ATOM 227 O ILE A 19 2.634 2.662 9.079 1.00 0.00 O ATOM 228 CB ILE A 19 1.618 1.137 6.496 1.00 0.00 C ATOM 229 CG1 ILE A 19 0.296 0.886 5.769 1.00 0.00 C ATOM 230 CG2 ILE A 19 2.770 0.333 5.888 1.00 0.00 C ATOM 231 CD1 ILE A 19 0.042 -0.613 5.597 1.00 0.00 C ATOM 0 H ILE A 19 -0.080 2.245 8.120 1.00 0.00 H new ATOM 0 HA ILE A 19 1.549 -0.227 8.099 1.00 0.00 H new ATOM 0 HB ILE A 19 1.860 2.192 6.367 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.523 1.335 6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.316 1.370 4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.844 0.551 4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.704 0.606 6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.584 -0.732 6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.904 -0.764 5.077 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.851 -1.055 5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.002 -1.089 6.576 1.00 0.00 H new ATOM 242 N VAL A 20 3.517 0.588 9.260 1.00 0.00 N ATOM 243 CA VAL A 20 4.643 1.018 10.071 1.00 0.00 C ATOM 244 C VAL A 20 5.933 0.876 9.260 1.00 0.00 C ATOM 245 O VAL A 20 6.952 1.477 9.597 1.00 0.00 O ATOM 246 CB VAL A 20 4.673 0.231 11.384 1.00 0.00 C ATOM 247 CG1 VAL A 20 4.500 1.163 12.585 1.00 0.00 C ATOM 248 CG2 VAL A 20 3.612 -0.872 11.387 1.00 0.00 C ATOM 0 H VAL A 20 3.495 -0.411 9.056 1.00 0.00 H new ATOM 0 HA VAL A 20 4.541 2.069 10.340 1.00 0.00 H new ATOM 0 HB VAL A 20 5.650 -0.245 11.468 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.525 0.579 13.505 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.308 1.894 12.597 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.544 1.680 12.509 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.655 -1.416 12.331 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.624 -0.427 11.269 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.800 -1.560 10.563 1.00 0.00 H new ATOM 258 N ASP A 21 5.847 0.077 8.207 1.00 0.00 N ATOM 259 CA ASP A 21 6.995 -0.150 7.345 1.00 0.00 C ATOM 260 C ASP A 21 6.527 -0.803 6.042 1.00 0.00 C ATOM 261 O ASP A 21 5.375 -1.217 5.930 1.00 0.00 O ATOM 262 CB ASP A 21 8.004 -1.090 8.008 1.00 0.00 C ATOM 263 CG ASP A 21 9.446 -0.939 7.519 1.00 0.00 C ATOM 264 OD1 ASP A 21 9.610 -0.483 6.367 1.00 0.00 O ATOM 265 OD2 ASP A 21 10.351 -1.285 8.309 1.00 0.00 O ATOM 0 H ASP A 21 5.001 -0.421 7.931 1.00 0.00 H new ATOM 0 HA ASP A 21 7.470 0.813 7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.982 -0.922 9.085 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.685 -2.119 7.840 1.00 0.00 H new ATOM 269 N LYS A 22 7.446 -0.874 5.090 1.00 0.00 N ATOM 270 CA LYS A 22 7.142 -1.469 3.800 1.00 0.00 C ATOM 271 C LYS A 22 8.445 -1.901 3.123 1.00 0.00 C ATOM 272 O LYS A 22 9.445 -1.186 3.178 1.00 0.00 O ATOM 273 CB LYS A 22 6.298 -0.513 2.955 1.00 0.00 C ATOM 274 CG LYS A 22 6.132 -1.042 1.529 1.00 0.00 C ATOM 275 CD LYS A 22 6.325 0.076 0.502 1.00 0.00 C ATOM 276 CE LYS A 22 7.133 -0.415 -0.700 1.00 0.00 C ATOM 277 NZ LYS A 22 8.458 -0.911 -0.266 1.00 0.00 N ATOM 0 H LYS A 22 8.401 -0.529 5.186 1.00 0.00 H new ATOM 0 HA LYS A 22 6.535 -2.366 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.318 -0.384 3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.770 0.469 2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.855 -1.837 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.140 -1.480 1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.353 0.439 0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.836 0.918 0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.590 -1.210 -1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.259 0.396 -1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.165 -0.701 -1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.731 -0.442 0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.411 -1.939 -0.114 1.00 0.00 H new ATOM 287 N ARG A 23 8.392 -3.068 2.500 1.00 0.00 N ATOM 288 CA ARG A 23 9.554 -3.605 1.814 1.00 0.00 C ATOM 289 C ARG A 23 9.133 -4.701 0.833 1.00 0.00 C ATOM 290 O ARG A 23 7.964 -5.080 0.783 1.00 0.00 O ATOM 291 CB ARG A 23 10.564 -4.181 2.808 1.00 0.00 C ATOM 292 CG ARG A 23 11.689 -3.181 3.088 1.00 0.00 C ATOM 293 CD ARG A 23 12.895 -3.877 3.721 1.00 0.00 C ATOM 294 NE ARG A 23 13.929 -2.878 4.073 1.00 0.00 N ATOM 295 CZ ARG A 23 13.855 -2.063 5.135 1.00 0.00 C ATOM 296 NH1 ARG A 23 12.798 -2.124 5.955 1.00 0.00 N ATOM 297 NH2 ARG A 23 14.841 -1.187 5.376 1.00 0.00 N ATOM 0 H ARG A 23 7.561 -3.658 2.456 1.00 0.00 H new ATOM 0 HA ARG A 23 10.024 -2.786 1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.058 -4.435 3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.984 -5.105 2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.990 -2.697 2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.327 -2.397 3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.584 -4.421 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.307 -4.610 3.028 1.00 0.00 H new ATOM 0 HE ARG A 23 14.749 -2.805 3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.048 -2.791 5.772 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.743 -1.504 6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.646 -1.141 4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.786 -0.566 6.184 1.00 0.00 H new ATOM 308 N LYS A 24 10.110 -5.181 0.077 1.00 0.00 N ATOM 309 CA LYS A 24 9.855 -6.227 -0.900 1.00 0.00 C ATOM 310 C LYS A 24 10.389 -7.557 -0.367 1.00 0.00 C ATOM 311 O LYS A 24 11.336 -7.581 0.418 1.00 0.00 O ATOM 312 CB LYS A 24 10.428 -5.836 -2.264 1.00 0.00 C ATOM 313 CG LYS A 24 10.019 -6.846 -3.339 1.00 0.00 C ATOM 314 CD LYS A 24 9.711 -6.142 -4.662 1.00 0.00 C ATOM 315 CE LYS A 24 10.854 -6.332 -5.662 1.00 0.00 C ATOM 316 NZ LYS A 24 10.326 -6.758 -6.978 1.00 0.00 N ATOM 0 H LYS A 24 11.079 -4.865 0.121 1.00 0.00 H new ATOM 0 HA LYS A 24 8.783 -6.352 -1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.075 -4.842 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.515 -5.783 -2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.820 -7.571 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.143 -7.402 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.786 -6.537 -5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.552 -5.079 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.409 -5.400 -5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.554 -7.078 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.087 -7.202 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.555 -7.442 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.964 -5.929 -7.492 1.00 0.00 H new ATOM 326 N ASN A 25 9.759 -8.633 -0.815 1.00 0.00 N ATOM 327 CA ASN A 25 10.159 -9.965 -0.393 1.00 0.00 C ATOM 328 C ASN A 25 11.315 -10.448 -1.271 1.00 0.00 C ATOM 329 O ASN A 25 11.658 -9.804 -2.260 1.00 0.00 O ATOM 330 CB ASN A 25 9.006 -10.959 -0.541 1.00 0.00 C ATOM 331 CG ASN A 25 8.522 -11.445 0.827 1.00 0.00 C ATOM 332 OD1 ASN A 25 9.279 -11.565 1.776 1.00 0.00 O ATOM 333 ND2 ASN A 25 7.221 -11.719 0.874 1.00 0.00 N ATOM 0 H ASN A 25 8.974 -8.610 -1.466 1.00 0.00 H new ATOM 0 HA ASN A 25 10.457 -9.911 0.654 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.181 -10.488 -1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.330 -11.810 -1.140 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.801 -12.052 1.742 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.644 -11.597 0.042 1.00 0.00 H new ATOM 339 N LYS A 26 11.884 -11.578 -0.876 1.00 0.00 N ATOM 340 CA LYS A 26 12.995 -12.155 -1.614 1.00 0.00 C ATOM 341 C LYS A 26 12.526 -12.527 -3.022 1.00 0.00 C ATOM 342 O LYS A 26 13.288 -12.422 -3.982 1.00 0.00 O ATOM 343 CB LYS A 26 13.603 -13.324 -0.839 1.00 0.00 C ATOM 344 CG LYS A 26 15.045 -13.582 -1.281 1.00 0.00 C ATOM 345 CD LYS A 26 15.091 -14.536 -2.476 1.00 0.00 C ATOM 346 CE LYS A 26 14.708 -15.957 -2.059 1.00 0.00 C ATOM 347 NZ LYS A 26 15.756 -16.918 -2.468 1.00 0.00 N ATOM 0 H LYS A 26 11.596 -12.109 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 26 13.798 -11.427 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.579 -13.109 0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.004 -14.221 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.522 -12.638 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.613 -14.004 -0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.411 -14.185 -3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.092 -14.537 -2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.569 -16.000 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.757 -16.232 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.480 -17.878 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.870 -16.889 -3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.656 -16.664 -2.013 1.00 0.00 H new ATOM 357 N LYS A 27 11.275 -12.956 -3.101 1.00 0.00 N ATOM 358 CA LYS A 27 10.696 -13.345 -4.376 1.00 0.00 C ATOM 359 C LYS A 27 10.493 -12.099 -5.240 1.00 0.00 C ATOM 360 O LYS A 27 10.564 -12.171 -6.466 1.00 0.00 O ATOM 361 CB LYS A 27 9.418 -14.157 -4.158 1.00 0.00 C ATOM 362 CG LYS A 27 9.677 -15.652 -4.359 1.00 0.00 C ATOM 363 CD LYS A 27 9.018 -16.154 -5.644 1.00 0.00 C ATOM 364 CE LYS A 27 9.353 -17.626 -5.893 1.00 0.00 C ATOM 365 NZ LYS A 27 9.959 -17.801 -7.232 1.00 0.00 N ATOM 0 H LYS A 27 10.646 -13.043 -2.303 1.00 0.00 H new ATOM 0 HA LYS A 27 11.375 -14.002 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.039 -13.982 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.647 -13.821 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.750 -15.836 -4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.291 -16.210 -3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.937 -16.030 -5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.355 -15.553 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.041 -17.983 -5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.448 -18.229 -5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.180 -18.806 -7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.290 -17.479 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.833 -17.241 -7.293 1.00 0.00 H new ATOM 375 N GLY A 28 10.244 -10.985 -4.567 1.00 0.00 N ATOM 376 CA GLY A 28 10.030 -9.725 -5.260 1.00 0.00 C ATOM 377 C GLY A 28 8.597 -9.228 -5.062 1.00 0.00 C ATOM 378 O GLY A 28 8.049 -8.545 -5.926 1.00 0.00 O ATOM 0 H GLY A 28 10.186 -10.928 -3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.732 -8.978 -4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.231 -9.852 -6.324 1.00 0.00 H new ATOM 382 N LYS A 29 8.031 -9.588 -3.921 1.00 0.00 N ATOM 383 CA LYS A 29 6.672 -9.188 -3.599 1.00 0.00 C ATOM 384 C LYS A 29 6.709 -8.017 -2.615 1.00 0.00 C ATOM 385 O LYS A 29 7.502 -8.016 -1.674 1.00 0.00 O ATOM 386 CB LYS A 29 5.864 -10.386 -3.097 1.00 0.00 C ATOM 387 CG LYS A 29 5.849 -11.511 -4.134 1.00 0.00 C ATOM 388 CD LYS A 29 4.599 -11.429 -5.014 1.00 0.00 C ATOM 389 CE LYS A 29 3.650 -12.594 -4.726 1.00 0.00 C ATOM 390 NZ LYS A 29 2.488 -12.131 -3.932 1.00 0.00 N ATOM 0 H LYS A 29 8.489 -10.153 -3.206 1.00 0.00 H new ATOM 0 HA LYS A 29 6.157 -8.838 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.292 -10.752 -2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.843 -10.074 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.741 -11.448 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.880 -12.476 -3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.086 -10.484 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.888 -11.442 -6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.307 -13.032 -5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.180 -13.377 -4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.853 -12.933 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.820 -11.734 -3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.974 -11.400 -4.463 1.00 0.00 H new ATOM 400 N THR A 30 5.844 -7.045 -2.867 1.00 0.00 N ATOM 401 CA THR A 30 5.768 -5.871 -2.016 1.00 0.00 C ATOM 402 C THR A 30 4.956 -6.177 -0.755 1.00 0.00 C ATOM 403 O THR A 30 3.794 -6.575 -0.842 1.00 0.00 O ATOM 404 CB THR A 30 5.192 -4.722 -2.846 1.00 0.00 C ATOM 405 OG1 THR A 30 6.241 -4.387 -3.750 1.00 0.00 O ATOM 406 CG2 THR A 30 4.990 -3.448 -2.021 1.00 0.00 C ATOM 0 H THR A 30 5.190 -7.047 -3.649 1.00 0.00 H new ATOM 0 HA THR A 30 6.756 -5.573 -1.664 1.00 0.00 H new ATOM 0 HB THR A 30 4.240 -5.029 -3.280 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.952 -3.650 -4.328 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.579 -2.664 -2.657 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.299 -3.650 -1.203 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.948 -3.122 -1.615 1.00 0.00 H new ATOM 414 N GLU A 31 5.598 -5.980 0.387 1.00 0.00 N ATOM 415 CA GLU A 31 4.950 -6.230 1.663 1.00 0.00 C ATOM 416 C GLU A 31 4.946 -4.959 2.514 1.00 0.00 C ATOM 417 O GLU A 31 5.905 -4.188 2.490 1.00 0.00 O ATOM 418 CB GLU A 31 5.626 -7.384 2.405 1.00 0.00 C ATOM 419 CG GLU A 31 5.447 -8.701 1.647 1.00 0.00 C ATOM 420 CD GLU A 31 5.384 -9.886 2.615 1.00 0.00 C ATOM 421 OE1 GLU A 31 6.395 -10.099 3.318 1.00 0.00 O ATOM 422 OE2 GLU A 31 4.325 -10.550 2.629 1.00 0.00 O ATOM 0 H GLU A 31 6.561 -5.650 0.455 1.00 0.00 H new ATOM 0 HA GLU A 31 3.917 -6.520 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.688 -7.171 2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.203 -7.475 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.533 -8.662 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.274 -8.839 0.950 1.00 0.00 H new ATOM 427 N TYR A 32 3.857 -4.778 3.247 1.00 0.00 N ATOM 428 CA TYR A 32 3.716 -3.614 4.105 1.00 0.00 C ATOM 429 C TYR A 32 3.523 -4.029 5.565 1.00 0.00 C ATOM 430 O TYR A 32 2.667 -4.856 5.871 1.00 0.00 O ATOM 431 CB TYR A 32 2.460 -2.886 3.623 1.00 0.00 C ATOM 432 CG TYR A 32 2.644 -2.130 2.306 1.00 0.00 C ATOM 433 CD1 TYR A 32 3.088 -0.823 2.316 1.00 0.00 C ATOM 434 CD2 TYR A 32 2.367 -2.755 1.108 1.00 0.00 C ATOM 435 CE1 TYR A 32 3.262 -0.113 1.076 1.00 0.00 C ATOM 436 CE2 TYR A 32 2.540 -2.045 -0.133 1.00 0.00 C ATOM 437 CZ TYR A 32 2.979 -0.759 -0.087 1.00 0.00 C ATOM 438 OH TYR A 32 3.143 -0.087 -1.259 1.00 0.00 O ATOM 0 H TYR A 32 3.063 -5.419 3.264 1.00 0.00 H new ATOM 0 HA TYR A 32 4.607 -2.989 4.054 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.655 -3.612 3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.143 -2.182 4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.305 -0.333 3.254 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.020 -3.778 1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.609 0.910 1.069 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.326 -2.523 -1.078 1.00 0.00 H new ATOM 0 HH TYR A 32 2.905 -0.672 -2.008 1.00 0.00 H new ATOM 447 N LEU A 33 4.334 -3.432 6.427 1.00 0.00 N ATOM 448 CA LEU A 33 4.263 -3.729 7.848 1.00 0.00 C ATOM 449 C LEU A 33 3.016 -3.071 8.440 1.00 0.00 C ATOM 450 O LEU A 33 2.947 -1.849 8.552 1.00 0.00 O ATOM 451 CB LEU A 33 5.563 -3.323 8.545 1.00 0.00 C ATOM 452 CG LEU A 33 5.595 -3.505 10.065 1.00 0.00 C ATOM 453 CD1 LEU A 33 6.049 -4.917 10.438 1.00 0.00 C ATOM 454 CD2 LEU A 33 6.458 -2.430 10.727 1.00 0.00 C ATOM 0 H LEU A 33 5.043 -2.745 6.169 1.00 0.00 H new ATOM 0 HA LEU A 33 4.164 -4.802 8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.380 -3.901 8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.760 -2.275 8.320 1.00 0.00 H new ATOM 0 HG LEU A 33 4.581 -3.383 10.446 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.063 -5.020 11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.358 -5.645 10.013 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.050 -5.093 10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.464 -2.582 11.806 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.477 -2.496 10.346 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.049 -1.445 10.502 1.00 0.00 H new ATOM 465 N VAL A 34 2.058 -3.913 8.805 1.00 0.00 N ATOM 466 CA VAL A 34 0.817 -3.429 9.383 1.00 0.00 C ATOM 467 C VAL A 34 0.605 -4.085 10.748 1.00 0.00 C ATOM 468 O VAL A 34 0.964 -5.245 10.946 1.00 0.00 O ATOM 469 CB VAL A 34 -0.342 -3.675 8.415 1.00 0.00 C ATOM 470 CG1 VAL A 34 -0.059 -4.879 7.516 1.00 0.00 C ATOM 471 CG2 VAL A 34 -1.660 -3.851 9.172 1.00 0.00 C ATOM 0 H VAL A 34 2.118 -4.927 8.711 1.00 0.00 H new ATOM 0 HA VAL A 34 0.865 -2.352 9.544 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.438 -2.797 7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.898 -5.032 6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.846 -4.696 6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.077 -5.768 8.131 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.468 -4.024 8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.581 -4.704 9.847 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.871 -2.951 9.749 1.00 0.00 H new ATOM 481 N ARG A 35 0.022 -3.316 11.656 1.00 0.00 N ATOM 482 CA ARG A 35 -0.243 -3.808 12.997 1.00 0.00 C ATOM 483 C ARG A 35 -1.612 -4.488 13.053 1.00 0.00 C ATOM 484 O ARG A 35 -2.352 -4.484 12.070 1.00 0.00 O ATOM 485 CB ARG A 35 -0.203 -2.671 14.019 1.00 0.00 C ATOM 486 CG ARG A 35 1.238 -2.321 14.396 1.00 0.00 C ATOM 487 CD ARG A 35 1.718 -3.171 15.574 1.00 0.00 C ATOM 488 NE ARG A 35 2.253 -2.298 16.643 1.00 0.00 N ATOM 489 CZ ARG A 35 1.499 -1.715 17.585 1.00 0.00 C ATOM 490 NH1 ARG A 35 0.173 -1.909 17.597 1.00 0.00 N ATOM 491 NH2 ARG A 35 2.071 -0.938 18.516 1.00 0.00 N ATOM 0 H ARG A 35 -0.275 -2.354 11.489 1.00 0.00 H new ATOM 0 HA ARG A 35 0.535 -4.530 13.244 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.699 -1.791 13.609 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.756 -2.961 14.912 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.891 -2.480 13.538 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.304 -1.264 14.655 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.894 -3.770 15.961 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.489 -3.866 15.241 1.00 0.00 H new ATOM 0 HE ARG A 35 3.259 -2.130 16.664 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.262 -2.500 16.889 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.401 -1.465 18.314 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.080 -0.791 18.507 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.497 -0.494 19.233 1.00 0.00 H new ATOM 502 N TRP A 36 -1.909 -5.056 14.213 1.00 0.00 N ATOM 503 CA TRP A 36 -3.176 -5.739 14.409 1.00 0.00 C ATOM 504 C TRP A 36 -3.404 -5.887 15.915 1.00 0.00 C ATOM 505 O TRP A 36 -2.476 -5.728 16.705 1.00 0.00 O ATOM 506 CB TRP A 36 -3.201 -7.075 13.665 1.00 0.00 C ATOM 507 CG TRP A 36 -2.421 -7.069 12.348 1.00 0.00 C ATOM 508 CD1 TRP A 36 -1.105 -7.240 12.168 1.00 0.00 C ATOM 509 CD2 TRP A 36 -2.968 -6.874 11.027 1.00 0.00 C ATOM 510 NE1 TRP A 36 -0.764 -7.171 10.833 1.00 0.00 N ATOM 511 CE2 TRP A 36 -1.933 -6.940 10.117 1.00 0.00 C ATOM 512 CE3 TRP A 36 -4.294 -6.649 10.615 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -2.116 -6.792 8.737 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -4.459 -6.503 9.232 1.00 0.00 C ATOM 515 CH2 TRP A 36 -3.427 -6.567 8.302 1.00 0.00 C ATOM 0 H TRP A 36 -1.294 -5.057 15.026 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.997 -5.158 13.988 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.791 -7.849 14.314 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.237 -7.346 13.461 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.399 -7.411 12.968 1.00 0.00 H new ATOM 0 HE1 TRP A 36 0.173 -7.271 10.443 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.119 -6.593 11.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.289 -6.848 8.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.458 -6.328 8.861 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.636 -6.444 7.250 1.00 0.00 H new ATOM 525 N LYS A 37 -4.646 -6.191 16.265 1.00 0.00 N ATOM 526 CA LYS A 37 -5.007 -6.364 17.662 1.00 0.00 C ATOM 527 C LYS A 37 -4.427 -7.683 18.176 1.00 0.00 C ATOM 528 O LYS A 37 -4.578 -8.723 17.535 1.00 0.00 O ATOM 529 CB LYS A 37 -6.522 -6.247 17.842 1.00 0.00 C ATOM 530 CG LYS A 37 -7.147 -7.612 18.136 1.00 0.00 C ATOM 531 CD LYS A 37 -8.670 -7.557 18.008 1.00 0.00 C ATOM 532 CE LYS A 37 -9.295 -8.919 18.314 1.00 0.00 C ATOM 533 NZ LYS A 37 -10.772 -8.834 18.266 1.00 0.00 N ATOM 0 H LYS A 37 -5.414 -6.322 15.606 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.574 -5.568 18.268 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.743 -5.559 18.658 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.967 -5.826 16.941 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.747 -8.355 17.446 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.874 -7.932 19.142 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.069 -6.808 18.692 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.943 -7.246 17.000 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.944 -9.657 17.593 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.976 -9.259 19.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.180 -9.767 18.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.103 -8.145 18.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.072 -8.531 17.317 1.00 0.00 H new ATOM 543 N GLY A 38 -3.776 -7.599 19.326 1.00 0.00 N ATOM 544 CA GLY A 38 -3.173 -8.774 19.933 1.00 0.00 C ATOM 545 C GLY A 38 -1.663 -8.800 19.692 1.00 0.00 C ATOM 546 O GLY A 38 -0.883 -8.955 20.632 1.00 0.00 O ATOM 0 H GLY A 38 -3.652 -6.735 19.854 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.374 -8.778 21.004 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.627 -9.675 19.520 1.00 0.00 H new ATOM 550 N TYR A 39 -1.294 -8.647 18.429 1.00 0.00 N ATOM 551 CA TYR A 39 0.110 -8.652 18.053 1.00 0.00 C ATOM 552 C TYR A 39 0.846 -7.461 18.669 1.00 0.00 C ATOM 553 O TYR A 39 0.587 -6.313 18.310 1.00 0.00 O ATOM 554 CB TYR A 39 0.138 -8.522 16.529 1.00 0.00 C ATOM 555 CG TYR A 39 0.080 -9.859 15.789 1.00 0.00 C ATOM 556 CD1 TYR A 39 0.814 -10.934 16.248 1.00 0.00 C ATOM 557 CD2 TYR A 39 -0.705 -9.991 14.662 1.00 0.00 C ATOM 558 CE1 TYR A 39 0.758 -12.194 15.552 1.00 0.00 C ATOM 559 CE2 TYR A 39 -0.760 -11.250 13.965 1.00 0.00 C ATOM 560 CZ TYR A 39 -0.025 -12.289 14.444 1.00 0.00 C ATOM 561 OH TYR A 39 -0.077 -13.478 13.786 1.00 0.00 O ATOM 0 H TYR A 39 -1.943 -8.519 17.653 1.00 0.00 H new ATOM 0 HA TYR A 39 0.599 -9.561 18.404 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.704 -7.906 16.212 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.046 -7.996 16.236 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.430 -10.831 17.129 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.279 -9.150 14.302 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.325 -13.044 15.902 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.371 -11.366 13.082 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.676 -13.399 13.015 1.00 0.00 H new ATOM 570 N ASP A 40 1.750 -7.775 19.586 1.00 0.00 N ATOM 571 CA ASP A 40 2.526 -6.744 20.255 1.00 0.00 C ATOM 572 C ASP A 40 3.196 -5.854 19.206 1.00 0.00 C ATOM 573 O ASP A 40 2.976 -6.027 18.008 1.00 0.00 O ATOM 574 CB ASP A 40 3.625 -7.360 21.124 1.00 0.00 C ATOM 575 CG ASP A 40 3.246 -7.571 22.591 1.00 0.00 C ATOM 576 OD1 ASP A 40 2.383 -8.441 22.835 1.00 0.00 O ATOM 577 OD2 ASP A 40 3.829 -6.857 23.436 1.00 0.00 O ATOM 0 H ASP A 40 1.962 -8.728 19.881 1.00 0.00 H new ATOM 0 HA ASP A 40 1.849 -6.167 20.884 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.910 -8.321 20.696 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.505 -6.718 21.080 1.00 0.00 H new ATOM 581 N SER A 41 3.999 -4.921 19.695 1.00 0.00 N ATOM 582 CA SER A 41 4.702 -4.003 18.814 1.00 0.00 C ATOM 583 C SER A 41 5.739 -4.763 17.985 1.00 0.00 C ATOM 584 O SER A 41 5.964 -4.441 16.820 1.00 0.00 O ATOM 585 CB SER A 41 5.377 -2.883 19.610 1.00 0.00 C ATOM 586 OG SER A 41 5.503 -1.687 18.847 1.00 0.00 O ATOM 0 H SER A 41 4.179 -4.781 20.689 1.00 0.00 H new ATOM 0 HA SER A 41 3.973 -3.548 18.144 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.798 -2.679 20.511 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.364 -3.212 19.933 1.00 0.00 H new ATOM 0 HG SER A 41 5.937 -0.996 19.391 1.00 0.00 H new ATOM 591 N GLU A 42 6.341 -5.759 18.619 1.00 0.00 N ATOM 592 CA GLU A 42 7.349 -6.568 17.955 1.00 0.00 C ATOM 593 C GLU A 42 6.728 -7.866 17.432 1.00 0.00 C ATOM 594 O GLU A 42 7.435 -8.842 17.188 1.00 0.00 O ATOM 595 CB GLU A 42 8.523 -6.860 18.890 1.00 0.00 C ATOM 596 CG GLU A 42 8.163 -7.953 19.898 1.00 0.00 C ATOM 597 CD GLU A 42 9.065 -7.881 21.132 1.00 0.00 C ATOM 598 OE1 GLU A 42 9.236 -6.754 21.645 1.00 0.00 O ATOM 599 OE2 GLU A 42 9.563 -8.954 21.535 1.00 0.00 O ATOM 0 H GLU A 42 6.150 -6.024 19.585 1.00 0.00 H new ATOM 0 HA GLU A 42 7.736 -6.005 17.106 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.389 -7.170 18.306 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.805 -5.950 19.420 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.121 -7.846 20.199 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.261 -8.932 19.429 1.00 0.00 H new ATOM 604 N ASP A 43 5.412 -7.834 17.278 1.00 0.00 N ATOM 605 CA ASP A 43 4.689 -8.996 16.791 1.00 0.00 C ATOM 606 C ASP A 43 4.062 -8.669 15.434 1.00 0.00 C ATOM 607 O ASP A 43 3.537 -9.553 14.759 1.00 0.00 O ATOM 608 CB ASP A 43 3.561 -9.385 17.749 1.00 0.00 C ATOM 609 CG ASP A 43 3.584 -10.842 18.217 1.00 0.00 C ATOM 610 OD1 ASP A 43 3.459 -11.722 17.337 1.00 0.00 O ATOM 611 OD2 ASP A 43 3.725 -11.043 19.442 1.00 0.00 O ATOM 0 H ASP A 43 4.829 -7.022 17.482 1.00 0.00 H new ATOM 0 HA ASP A 43 5.395 -9.822 16.710 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.608 -8.737 18.624 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.606 -9.191 17.260 1.00 0.00 H new ATOM 615 N ASP A 44 4.140 -7.396 15.073 1.00 0.00 N ATOM 616 CA ASP A 44 3.588 -6.940 13.809 1.00 0.00 C ATOM 617 C ASP A 44 3.904 -7.968 12.721 1.00 0.00 C ATOM 618 O ASP A 44 4.847 -8.746 12.851 1.00 0.00 O ATOM 619 CB ASP A 44 4.202 -5.604 13.390 1.00 0.00 C ATOM 620 CG ASP A 44 5.637 -5.373 13.867 1.00 0.00 C ATOM 621 OD1 ASP A 44 6.393 -6.368 13.894 1.00 0.00 O ATOM 622 OD2 ASP A 44 5.945 -4.206 14.194 1.00 0.00 O ATOM 0 H ASP A 44 4.578 -6.666 15.635 1.00 0.00 H new ATOM 0 HA ASP A 44 2.512 -6.818 13.934 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.182 -5.537 12.302 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.575 -4.798 13.770 1.00 0.00 H new ATOM 626 N THR A 45 3.096 -7.939 11.671 1.00 0.00 N ATOM 627 CA THR A 45 3.276 -8.858 10.561 1.00 0.00 C ATOM 628 C THR A 45 3.466 -8.085 9.254 1.00 0.00 C ATOM 629 O THR A 45 3.147 -6.900 9.177 1.00 0.00 O ATOM 630 CB THR A 45 2.079 -9.811 10.535 1.00 0.00 C ATOM 631 OG1 THR A 45 0.951 -8.947 10.434 1.00 0.00 O ATOM 632 CG2 THR A 45 1.878 -10.532 11.869 1.00 0.00 C ATOM 0 H THR A 45 2.314 -7.292 11.566 1.00 0.00 H new ATOM 0 HA THR A 45 4.180 -9.454 10.684 1.00 0.00 H new ATOM 0 HB THR A 45 2.216 -10.546 9.742 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.690 -8.644 11.329 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.016 -11.196 11.798 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.768 -11.116 12.105 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.707 -9.798 12.657 1.00 0.00 H new ATOM 640 N TRP A 46 3.985 -8.789 8.258 1.00 0.00 N ATOM 641 CA TRP A 46 4.221 -8.184 6.958 1.00 0.00 C ATOM 642 C TRP A 46 3.210 -8.773 5.972 1.00 0.00 C ATOM 643 O TRP A 46 3.291 -9.951 5.626 1.00 0.00 O ATOM 644 CB TRP A 46 5.672 -8.379 6.517 1.00 0.00 C ATOM 645 CG TRP A 46 6.676 -7.508 7.275 1.00 0.00 C ATOM 646 CD1 TRP A 46 7.191 -7.713 8.495 1.00 0.00 C ATOM 647 CD2 TRP A 46 7.270 -6.278 6.809 1.00 0.00 C ATOM 648 NE1 TRP A 46 8.068 -6.709 8.849 1.00 0.00 N ATOM 649 CE2 TRP A 46 8.119 -5.808 7.790 1.00 0.00 C ATOM 650 CE3 TRP A 46 7.097 -5.586 5.597 1.00 0.00 C ATOM 651 CZ2 TRP A 46 8.860 -4.628 7.662 1.00 0.00 C ATOM 652 CZ3 TRP A 46 7.845 -4.407 5.486 1.00 0.00 C ATOM 653 CH2 TRP A 46 8.704 -3.921 6.464 1.00 0.00 C ATOM 0 H TRP A 46 4.248 -9.772 8.325 1.00 0.00 H new ATOM 0 HA TRP A 46 4.075 -7.105 7.002 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.943 -9.426 6.649 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.749 -8.161 5.452 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.950 -8.558 9.122 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.584 -6.640 9.726 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.440 -5.936 4.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 9.517 -4.281 8.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.747 -3.835 4.575 1.00 0.00 H new ATOM 0 HH2 TRP A 46 9.248 -3.003 6.301 1.00 0.00 H new ATOM 663 N GLU A 47 2.284 -7.928 5.546 1.00 0.00 N ATOM 664 CA GLU A 47 1.260 -8.351 4.606 1.00 0.00 C ATOM 665 C GLU A 47 1.530 -7.755 3.223 1.00 0.00 C ATOM 666 O GLU A 47 1.873 -6.580 3.106 1.00 0.00 O ATOM 667 CB GLU A 47 -0.134 -7.969 5.105 1.00 0.00 C ATOM 668 CG GLU A 47 -0.495 -8.745 6.374 1.00 0.00 C ATOM 669 CD GLU A 47 -0.295 -10.247 6.172 1.00 0.00 C ATOM 670 OE1 GLU A 47 -1.097 -10.830 5.411 1.00 0.00 O ATOM 671 OE2 GLU A 47 0.656 -10.780 6.784 1.00 0.00 O ATOM 0 H GLU A 47 2.221 -6.952 5.834 1.00 0.00 H new ATOM 0 HA GLU A 47 1.295 -9.437 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.171 -6.898 5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.871 -8.173 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.122 -8.400 7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.532 -8.545 6.644 1.00 0.00 H new ATOM 676 N PRO A 48 1.360 -8.615 2.183 1.00 0.00 N ATOM 677 CA PRO A 48 1.582 -8.186 0.813 1.00 0.00 C ATOM 678 C PRO A 48 0.429 -7.308 0.320 1.00 0.00 C ATOM 679 O PRO A 48 -0.738 -7.631 0.536 1.00 0.00 O ATOM 680 CB PRO A 48 1.731 -9.472 0.017 1.00 0.00 C ATOM 681 CG PRO A 48 1.128 -10.568 0.880 1.00 0.00 C ATOM 682 CD PRO A 48 0.954 -10.014 2.284 1.00 0.00 C ATOM 0 HA PRO A 48 2.469 -7.562 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.215 -9.401 -0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.779 -9.678 -0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.168 -10.888 0.475 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.777 -11.444 0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.079 -10.103 2.620 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.570 -10.554 3.002 1.00 0.00 H new ATOM 687 N GLU A 49 0.797 -6.216 -0.333 1.00 0.00 N ATOM 688 CA GLU A 49 -0.191 -5.288 -0.857 1.00 0.00 C ATOM 689 C GLU A 49 -1.377 -6.056 -1.447 1.00 0.00 C ATOM 690 O GLU A 49 -2.507 -5.569 -1.426 1.00 0.00 O ATOM 691 CB GLU A 49 0.430 -4.355 -1.898 1.00 0.00 C ATOM 692 CG GLU A 49 -0.260 -2.990 -1.892 1.00 0.00 C ATOM 693 CD GLU A 49 -1.030 -2.760 -3.195 1.00 0.00 C ATOM 694 OE1 GLU A 49 -2.134 -3.334 -3.310 1.00 0.00 O ATOM 695 OE2 GLU A 49 -0.497 -2.015 -4.044 1.00 0.00 O ATOM 0 H GLU A 49 1.766 -5.953 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.554 -4.670 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.493 -4.230 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.348 -4.803 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.944 -2.928 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.483 -2.203 -1.760 1.00 0.00 H new ATOM 700 N GLN A 50 -1.079 -7.240 -1.960 1.00 0.00 N ATOM 701 CA GLN A 50 -2.105 -8.079 -2.554 1.00 0.00 C ATOM 702 C GLN A 50 -3.184 -8.411 -1.520 1.00 0.00 C ATOM 703 O GLN A 50 -4.375 -8.272 -1.794 1.00 0.00 O ATOM 704 CB GLN A 50 -1.500 -9.353 -3.144 1.00 0.00 C ATOM 705 CG GLN A 50 -2.591 -10.290 -3.664 1.00 0.00 C ATOM 706 CD GLN A 50 -2.133 -11.019 -4.929 1.00 0.00 C ATOM 707 OE1 GLN A 50 -1.321 -11.929 -4.893 1.00 0.00 O ATOM 708 NE2 GLN A 50 -2.695 -10.568 -6.047 1.00 0.00 N ATOM 0 H GLN A 50 -0.140 -7.639 -1.977 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.570 -7.526 -3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.821 -9.094 -3.956 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.909 -9.864 -2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.848 -11.017 -2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.495 -9.719 -3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.368 -9.802 -6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.453 -10.988 -6.945 1.00 0.00 H new ATOM 715 N HIS A 51 -2.726 -8.845 -0.355 1.00 0.00 N ATOM 716 CA HIS A 51 -3.636 -9.200 0.721 1.00 0.00 C ATOM 717 C HIS A 51 -4.290 -7.934 1.278 1.00 0.00 C ATOM 718 O HIS A 51 -5.399 -7.985 1.806 1.00 0.00 O ATOM 719 CB HIS A 51 -2.915 -10.017 1.795 1.00 0.00 C ATOM 720 CG HIS A 51 -2.314 -11.305 1.287 1.00 0.00 C ATOM 721 ND1 HIS A 51 -2.112 -11.753 0.014 1.00 0.00 N flip ATOM 722 CD2 HIS A 51 -1.846 -12.298 2.129 1.00 0.00 C flip ATOM 723 CE1 HIS A 51 -1.549 -12.954 0.077 1.00 0.00 C flip ATOM 724 NE2 HIS A 51 -1.384 -13.294 1.387 1.00 0.00 N flip ATOM 0 H HIS A 51 -1.737 -8.959 -0.133 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.431 -9.838 0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.124 -9.407 2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.619 -10.247 2.595 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.856 -12.267 3.209 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.268 -13.562 -0.770 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -0.977 -14.162 1.735 1.00 0.00 H new ATOM 731 N LEU A 52 -3.574 -6.827 1.141 1.00 0.00 N ATOM 732 CA LEU A 52 -4.070 -5.550 1.624 1.00 0.00 C ATOM 733 C LEU A 52 -5.005 -4.942 0.575 1.00 0.00 C ATOM 734 O LEU A 52 -4.682 -3.922 -0.032 1.00 0.00 O ATOM 735 CB LEU A 52 -2.907 -4.636 2.014 1.00 0.00 C ATOM 736 CG LEU A 52 -2.038 -5.117 3.178 1.00 0.00 C ATOM 737 CD1 LEU A 52 -0.655 -4.465 3.135 1.00 0.00 C ATOM 738 CD2 LEU A 52 -2.739 -4.886 4.518 1.00 0.00 C ATOM 0 H LEU A 52 -2.654 -6.789 0.702 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.655 -5.688 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.268 -4.501 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.310 -3.656 2.268 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.891 -6.192 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.057 -4.824 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.160 -4.724 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.761 -3.382 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.100 -5.237 5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.937 -3.822 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.681 -5.435 4.535 1.00 0.00 H new ATOM 749 N VAL A 53 -6.145 -5.593 0.397 1.00 0.00 N ATOM 750 CA VAL A 53 -7.129 -5.129 -0.566 1.00 0.00 C ATOM 751 C VAL A 53 -8.014 -4.065 0.087 1.00 0.00 C ATOM 752 O VAL A 53 -8.356 -4.174 1.263 1.00 0.00 O ATOM 753 CB VAL A 53 -7.925 -6.315 -1.113 1.00 0.00 C ATOM 754 CG1 VAL A 53 -9.059 -5.841 -2.025 1.00 0.00 C ATOM 755 CG2 VAL A 53 -7.010 -7.300 -1.844 1.00 0.00 C ATOM 0 H VAL A 53 -6.409 -6.438 0.903 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.637 -4.663 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.371 -6.837 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.609 -6.704 -2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.734 -5.197 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.642 -5.283 -2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.601 -8.134 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.522 -6.794 -2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.254 -7.675 -1.154 1.00 0.00 H new ATOM 765 N ASN A 54 -8.359 -3.061 -0.705 1.00 0.00 N ATOM 766 CA ASN A 54 -9.197 -1.978 -0.219 1.00 0.00 C ATOM 767 C ASN A 54 -8.497 -1.284 0.952 1.00 0.00 C ATOM 768 O ASN A 54 -9.128 -0.542 1.704 1.00 0.00 O ATOM 769 CB ASN A 54 -10.543 -2.506 0.280 1.00 0.00 C ATOM 770 CG ASN A 54 -11.687 -2.022 -0.613 1.00 0.00 C ATOM 771 OD1 ASN A 54 -12.127 -0.886 -0.542 1.00 0.00 O ATOM 772 ND2 ASN A 54 -12.143 -2.944 -1.454 1.00 0.00 N ATOM 0 H ASN A 54 -8.073 -2.974 -1.680 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.365 -1.284 -1.043 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.526 -3.596 0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.711 -2.174 1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.907 -2.719 -2.092 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.729 -3.876 -1.462 1.00 0.00 H new ATOM 778 N CYS A 55 -7.205 -1.548 1.068 1.00 0.00 N ATOM 779 CA CYS A 55 -6.413 -0.958 2.135 1.00 0.00 C ATOM 780 C CYS A 55 -5.441 0.045 1.512 1.00 0.00 C ATOM 781 O CYS A 55 -4.575 0.585 2.199 1.00 0.00 O ATOM 782 CB CYS A 55 -5.686 -2.024 2.956 1.00 0.00 C ATOM 783 SG CYS A 55 -6.901 -3.136 3.754 1.00 0.00 S ATOM 0 H CYS A 55 -6.686 -2.163 0.441 1.00 0.00 H new ATOM 0 HA CYS A 55 -7.069 -0.440 2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.021 -2.600 2.312 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.063 -1.549 3.714 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.657 -3.677 2.845 1.00 0.00 H new ATOM 788 N GLU A 56 -5.615 0.265 0.217 1.00 0.00 N ATOM 789 CA GLU A 56 -4.763 1.194 -0.507 1.00 0.00 C ATOM 790 C GLU A 56 -4.613 2.498 0.278 1.00 0.00 C ATOM 791 O GLU A 56 -3.506 3.010 0.433 1.00 0.00 O ATOM 792 CB GLU A 56 -5.309 1.458 -1.912 1.00 0.00 C ATOM 793 CG GLU A 56 -4.577 0.610 -2.953 1.00 0.00 C ATOM 794 CD GLU A 56 -4.803 1.159 -4.364 1.00 0.00 C ATOM 795 OE1 GLU A 56 -4.013 2.040 -4.764 1.00 0.00 O ATOM 796 OE2 GLU A 56 -5.762 0.683 -5.011 1.00 0.00 O ATOM 0 H GLU A 56 -6.334 -0.184 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.777 0.743 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.375 1.234 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.199 2.515 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.510 0.596 -2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.927 -0.421 -2.899 1.00 0.00 H new ATOM 801 N GLU A 57 -5.744 3.000 0.753 1.00 0.00 N ATOM 802 CA GLU A 57 -5.753 4.235 1.517 1.00 0.00 C ATOM 803 C GLU A 57 -4.564 4.271 2.480 1.00 0.00 C ATOM 804 O GLU A 57 -3.647 5.071 2.308 1.00 0.00 O ATOM 805 CB GLU A 57 -7.074 4.403 2.272 1.00 0.00 C ATOM 806 CG GLU A 57 -7.641 5.811 2.077 1.00 0.00 C ATOM 807 CD GLU A 57 -9.165 5.777 1.958 1.00 0.00 C ATOM 808 OE1 GLU A 57 -9.818 5.845 3.021 1.00 0.00 O ATOM 809 OE2 GLU A 57 -9.643 5.684 0.807 1.00 0.00 O ATOM 0 H GLU A 57 -6.661 2.573 0.623 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.660 5.070 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.795 3.665 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.917 4.214 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.352 6.443 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.213 6.258 1.180 1.00 0.00 H new ATOM 814 N TYR A 58 -4.620 3.394 3.472 1.00 0.00 N ATOM 815 CA TYR A 58 -3.558 3.317 4.461 1.00 0.00 C ATOM 816 C TYR A 58 -2.182 3.392 3.797 1.00 0.00 C ATOM 817 O TYR A 58 -1.408 4.309 4.068 1.00 0.00 O ATOM 818 CB TYR A 58 -3.711 1.952 5.137 1.00 0.00 C ATOM 819 CG TYR A 58 -5.017 1.785 5.915 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.367 2.707 6.880 1.00 0.00 C ATOM 821 CD2 TYR A 58 -5.845 0.713 5.652 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.597 2.551 7.613 1.00 0.00 C ATOM 823 CE2 TYR A 58 -7.075 0.556 6.385 1.00 0.00 C ATOM 824 CZ TYR A 58 -7.390 1.483 7.329 1.00 0.00 C ATOM 825 OH TYR A 58 -8.551 1.335 8.021 1.00 0.00 O ATOM 0 H TYR A 58 -5.383 2.732 3.612 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.630 4.145 5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.651 1.173 4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.873 1.799 5.817 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.719 3.546 7.086 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.571 -0.008 4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.883 3.266 8.371 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.732 -0.279 6.189 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.016 0.529 7.712 1.00 0.00 H new ATOM 834 N ILE A 59 -1.919 2.417 2.940 1.00 0.00 N ATOM 835 CA ILE A 59 -0.650 2.361 2.234 1.00 0.00 C ATOM 836 C ILE A 59 -0.361 3.726 1.606 1.00 0.00 C ATOM 837 O ILE A 59 0.678 4.329 1.871 1.00 0.00 O ATOM 838 CB ILE A 59 -0.646 1.208 1.229 1.00 0.00 C ATOM 839 CG1 ILE A 59 -0.841 -0.135 1.935 1.00 0.00 C ATOM 840 CG2 ILE A 59 0.625 1.228 0.378 1.00 0.00 C ATOM 841 CD1 ILE A 59 -1.595 -1.120 1.039 1.00 0.00 C ATOM 0 H ILE A 59 -2.564 1.658 2.718 1.00 0.00 H new ATOM 0 HA ILE A 59 0.163 2.150 2.928 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.490 1.342 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.129 -0.552 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.393 0.014 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.603 0.398 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.682 2.169 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.497 1.131 1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.721 -2.067 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.574 -0.710 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.028 -1.286 0.123 1.00 0.00 H new ATOM 852 N HIS A 60 -1.299 4.175 0.784 1.00 0.00 N ATOM 853 CA HIS A 60 -1.158 5.457 0.116 1.00 0.00 C ATOM 854 C HIS A 60 -0.667 6.505 1.116 1.00 0.00 C ATOM 855 O HIS A 60 0.390 7.105 0.923 1.00 0.00 O ATOM 856 CB HIS A 60 -2.466 5.858 -0.571 1.00 0.00 C ATOM 857 CG HIS A 60 -2.599 5.346 -1.985 1.00 0.00 C ATOM 858 ND1 HIS A 60 -2.257 6.103 -3.092 1.00 0.00 N ATOM 859 CD2 HIS A 60 -3.039 4.145 -2.460 1.00 0.00 C ATOM 860 CE1 HIS A 60 -2.486 5.381 -4.180 1.00 0.00 C ATOM 861 NE2 HIS A 60 -2.971 4.169 -3.786 1.00 0.00 N ATOM 0 H HIS A 60 -2.160 3.673 0.566 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.410 5.380 -0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.303 5.486 0.019 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.541 6.945 -0.581 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.384 3.316 -1.860 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.318 5.697 -5.199 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.238 3.406 -4.408 1.00 0.00 H new ATOM 868 N ASP A 61 -1.457 6.694 2.162 1.00 0.00 N ATOM 869 CA ASP A 61 -1.116 7.659 3.193 1.00 0.00 C ATOM 870 C ASP A 61 0.296 7.373 3.708 1.00 0.00 C ATOM 871 O ASP A 61 1.135 8.270 3.761 1.00 0.00 O ATOM 872 CB ASP A 61 -2.080 7.565 4.377 1.00 0.00 C ATOM 873 CG ASP A 61 -2.322 8.880 5.121 1.00 0.00 C ATOM 874 OD1 ASP A 61 -2.071 9.937 4.502 1.00 0.00 O ATOM 875 OD2 ASP A 61 -2.753 8.798 6.292 1.00 0.00 O ATOM 0 H ASP A 61 -2.333 6.195 2.318 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.179 8.655 2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.037 7.187 4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.693 6.831 5.084 1.00 0.00 H new ATOM 879 N PHE A 62 0.514 6.118 4.075 1.00 0.00 N ATOM 880 CA PHE A 62 1.809 5.701 4.584 1.00 0.00 C ATOM 881 C PHE A 62 2.924 6.052 3.596 1.00 0.00 C ATOM 882 O PHE A 62 4.005 6.479 4.000 1.00 0.00 O ATOM 883 CB PHE A 62 1.755 4.182 4.755 1.00 0.00 C ATOM 884 CG PHE A 62 3.128 3.508 4.768 1.00 0.00 C ATOM 885 CD1 PHE A 62 3.822 3.402 5.933 1.00 0.00 C ATOM 886 CD2 PHE A 62 3.655 3.015 3.614 1.00 0.00 C ATOM 887 CE1 PHE A 62 5.097 2.776 5.944 1.00 0.00 C ATOM 888 CE2 PHE A 62 4.929 2.389 3.627 1.00 0.00 C ATOM 889 CZ PHE A 62 5.623 2.283 4.792 1.00 0.00 C ATOM 0 H PHE A 62 -0.185 5.377 4.030 1.00 0.00 H new ATOM 0 HA PHE A 62 2.020 6.208 5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.239 3.950 5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.160 3.757 3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.404 3.793 6.849 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.104 3.100 2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.649 2.692 6.869 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.347 1.997 2.712 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.592 1.807 4.802 1.00 0.00 H new ATOM 898 N ASN A 63 2.624 5.859 2.321 1.00 0.00 N ATOM 899 CA ASN A 63 3.588 6.149 1.273 1.00 0.00 C ATOM 900 C ASN A 63 3.872 7.652 1.249 1.00 0.00 C ATOM 901 O ASN A 63 5.028 8.069 1.204 1.00 0.00 O ATOM 902 CB ASN A 63 3.046 5.748 -0.100 1.00 0.00 C ATOM 903 CG ASN A 63 3.773 4.513 -0.639 1.00 0.00 C ATOM 904 OD1 ASN A 63 4.813 4.600 -1.271 1.00 0.00 O ATOM 905 ND2 ASN A 63 3.170 3.364 -0.353 1.00 0.00 N ATOM 0 H ASN A 63 1.727 5.505 1.989 1.00 0.00 H new ATOM 0 HA ASN A 63 4.495 5.581 1.482 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.978 5.542 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.164 6.577 -0.798 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.576 2.483 -0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.301 3.363 0.181 1.00 0.00 H new ATOM 911 N ARG A 64 2.796 8.426 1.280 1.00 0.00 N ATOM 912 CA ARG A 64 2.914 9.873 1.262 1.00 0.00 C ATOM 913 C ARG A 64 3.770 10.350 2.438 1.00 0.00 C ATOM 914 O ARG A 64 4.843 10.916 2.239 1.00 0.00 O ATOM 915 CB ARG A 64 1.539 10.539 1.337 1.00 0.00 C ATOM 916 CG ARG A 64 0.680 10.163 0.128 1.00 0.00 C ATOM 917 CD ARG A 64 1.095 10.960 -1.109 1.00 0.00 C ATOM 918 NE ARG A 64 1.046 10.096 -2.309 1.00 0.00 N ATOM 919 CZ ARG A 64 1.512 10.454 -3.513 1.00 0.00 C ATOM 920 NH1 ARG A 64 2.064 11.663 -3.684 1.00 0.00 N ATOM 921 NH2 ARG A 64 1.425 9.605 -4.546 1.00 0.00 N ATOM 0 H ARG A 64 1.838 8.077 1.317 1.00 0.00 H new ATOM 0 HA ARG A 64 3.390 10.155 0.323 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.034 10.236 2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.657 11.622 1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.777 9.096 -0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.370 10.352 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.432 11.815 -1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.102 11.355 -0.976 1.00 0.00 H new ATOM 0 HE ARG A 64 0.631 9.169 -2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.129 12.310 -2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.419 11.937 -4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.004 8.685 -4.416 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.780 9.879 -5.462 1.00 0.00 H new ATOM 932 N ARG A 65 3.262 10.104 3.636 1.00 0.00 N ATOM 933 CA ARG A 65 3.966 10.501 4.843 1.00 0.00 C ATOM 934 C ARG A 65 5.435 10.083 4.763 1.00 0.00 C ATOM 935 O ARG A 65 6.330 10.912 4.919 1.00 0.00 O ATOM 936 CB ARG A 65 3.330 9.871 6.084 1.00 0.00 C ATOM 937 CG ARG A 65 2.451 10.882 6.823 1.00 0.00 C ATOM 938 CD ARG A 65 3.303 11.960 7.498 1.00 0.00 C ATOM 939 NE ARG A 65 2.485 13.167 7.750 1.00 0.00 N ATOM 940 CZ ARG A 65 2.915 14.236 8.435 1.00 0.00 C ATOM 941 NH1 ARG A 65 4.156 14.253 8.939 1.00 0.00 N ATOM 942 NH2 ARG A 65 2.104 15.287 8.615 1.00 0.00 N ATOM 0 H ARG A 65 2.371 9.635 3.797 1.00 0.00 H new ATOM 0 HA ARG A 65 3.898 11.586 4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.731 9.008 5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.111 9.506 6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.758 11.347 6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.849 10.367 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.706 11.581 8.437 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.153 12.213 6.865 1.00 0.00 H new ATOM 0 HE ARG A 65 1.535 13.187 7.379 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.773 13.453 8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.484 15.066 9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.159 15.274 8.231 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.431 16.100 9.136 1.00 0.00 H new ATOM 953 N HIS A 66 5.639 8.796 4.519 1.00 0.00 N ATOM 954 CA HIS A 66 6.984 8.257 4.416 1.00 0.00 C ATOM 955 C HIS A 66 7.867 9.230 3.633 1.00 0.00 C ATOM 956 O HIS A 66 8.778 9.838 4.194 1.00 0.00 O ATOM 957 CB HIS A 66 6.962 6.854 3.807 1.00 0.00 C ATOM 958 CG HIS A 66 8.312 6.368 3.335 1.00 0.00 C ATOM 959 ND1 HIS A 66 8.510 5.802 2.087 1.00 0.00 N ATOM 960 CD2 HIS A 66 9.527 6.372 3.953 1.00 0.00 C ATOM 961 CE1 HIS A 66 9.790 5.482 1.971 1.00 0.00 C ATOM 962 NE2 HIS A 66 10.419 5.836 3.129 1.00 0.00 N ATOM 0 H HIS A 66 4.894 8.111 4.390 1.00 0.00 H new ATOM 0 HA HIS A 66 7.415 8.150 5.412 1.00 0.00 H new ATOM 0 HB2 HIS A 66 6.574 6.154 4.547 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.269 6.845 2.965 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.730 6.748 4.945 1.00 0.00 H new ATOM 0 HE1 HIS A 66 10.254 5.022 1.111 1.00 0.00 H new ATOM 0 HE2 HIS A 66 11.411 5.710 3.329 1.00 0.00 H new ATOM 969 N THR A 67 7.569 9.346 2.347 1.00 0.00 N ATOM 970 CA THR A 67 8.325 10.234 1.481 1.00 0.00 C ATOM 971 C THR A 67 7.995 11.695 1.796 1.00 0.00 C ATOM 972 O THR A 67 7.012 11.980 2.478 1.00 0.00 O ATOM 973 CB THR A 67 8.030 9.844 0.031 1.00 0.00 C ATOM 974 OG1 THR A 67 8.462 8.488 -0.059 1.00 0.00 O ATOM 975 CG2 THR A 67 8.921 10.585 -0.968 1.00 0.00 C ATOM 0 H THR A 67 6.814 8.840 1.884 1.00 0.00 H new ATOM 0 HA THR A 67 9.397 10.132 1.649 1.00 0.00 H new ATOM 0 HB THR A 67 6.983 10.050 -0.194 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.306 8.154 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.670 10.271 -1.981 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.762 11.659 -0.871 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.966 10.353 -0.765 1.00 0.00 H new ATOM 983 N GLU A 68 8.836 12.581 1.284 1.00 0.00 N ATOM 984 CA GLU A 68 8.646 14.006 1.502 1.00 0.00 C ATOM 985 C GLU A 68 8.365 14.713 0.175 1.00 0.00 C ATOM 986 O GLU A 68 9.283 15.215 -0.471 1.00 0.00 O ATOM 987 CB GLU A 68 9.859 14.619 2.204 1.00 0.00 C ATOM 988 CG GLU A 68 10.324 13.737 3.365 1.00 0.00 C ATOM 989 CD GLU A 68 11.658 14.231 3.929 1.00 0.00 C ATOM 990 OE1 GLU A 68 12.601 14.368 3.119 1.00 0.00 O ATOM 991 OE2 GLU A 68 11.706 14.461 5.156 1.00 0.00 O ATOM 0 H GLU A 68 9.650 12.341 0.719 1.00 0.00 H new ATOM 0 HA GLU A 68 7.783 14.143 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.672 14.744 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.605 15.612 2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.570 13.738 4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.428 12.707 3.025 1.00 0.00 H new ATOM 996 N LYS A 69 7.092 14.731 -0.193 1.00 0.00 N ATOM 997 CA LYS A 69 6.679 15.369 -1.431 1.00 0.00 C ATOM 998 C LYS A 69 5.457 16.249 -1.163 1.00 0.00 C ATOM 999 O LYS A 69 4.646 15.943 -0.290 1.00 0.00 O ATOM 1000 CB LYS A 69 6.456 14.322 -2.523 1.00 0.00 C ATOM 1001 CG LYS A 69 7.725 14.114 -3.353 1.00 0.00 C ATOM 1002 CD LYS A 69 7.385 13.869 -4.824 1.00 0.00 C ATOM 1003 CE LYS A 69 8.580 13.270 -5.570 1.00 0.00 C ATOM 1004 NZ LYS A 69 8.155 12.737 -6.884 1.00 0.00 N ATOM 0 H LYS A 69 6.333 14.314 0.345 1.00 0.00 H new ATOM 0 HA LYS A 69 7.467 16.023 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.155 13.377 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.640 14.638 -3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.368 14.990 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.286 13.266 -2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.531 13.195 -4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.091 14.807 -5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.348 14.031 -5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.026 12.473 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.977 12.334 -7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.439 11.996 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.750 13.506 -7.456 1.00 0.00 H new ATOM 1014 N GLN A 70 5.363 17.325 -1.929 1.00 0.00 N ATOM 1015 CA GLN A 70 4.253 18.252 -1.786 1.00 0.00 C ATOM 1016 C GLN A 70 2.968 17.630 -2.337 1.00 0.00 C ATOM 1017 O GLN A 70 2.819 17.474 -3.548 1.00 0.00 O ATOM 1018 CB GLN A 70 4.558 19.582 -2.477 1.00 0.00 C ATOM 1019 CG GLN A 70 5.695 20.321 -1.768 1.00 0.00 C ATOM 1020 CD GLN A 70 5.155 21.212 -0.646 1.00 0.00 C ATOM 1021 OE1 GLN A 70 4.470 20.767 0.259 1.00 0.00 O ATOM 1022 NE2 GLN A 70 5.501 22.492 -0.758 1.00 0.00 N ATOM 0 H GLN A 70 6.038 17.576 -2.651 1.00 0.00 H new ATOM 0 HA GLN A 70 4.109 18.456 -0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.830 19.401 -3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.664 20.205 -2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.401 19.600 -1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.243 20.929 -2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.077 22.798 -1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.190 23.167 -0.060 1.00 0.00 H new ATOM 1029 N LYS A 71 2.073 17.292 -1.420 1.00 0.00 N ATOM 1030 CA LYS A 71 0.806 16.691 -1.798 1.00 0.00 C ATOM 1031 C LYS A 71 -0.337 17.453 -1.123 1.00 0.00 C ATOM 1032 O LYS A 71 -0.438 17.470 0.102 1.00 0.00 O ATOM 1033 CB LYS A 71 0.810 15.192 -1.492 1.00 0.00 C ATOM 1034 CG LYS A 71 0.045 14.411 -2.563 1.00 0.00 C ATOM 1035 CD LYS A 71 -1.306 13.930 -2.029 1.00 0.00 C ATOM 1036 CE LYS A 71 -2.394 14.978 -2.269 1.00 0.00 C ATOM 1037 NZ LYS A 71 -2.529 15.264 -3.715 1.00 0.00 N ATOM 0 H LYS A 71 2.201 17.423 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 71 0.653 16.772 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.837 14.831 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.358 15.015 -0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.109 15.042 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.638 13.556 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.582 12.995 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.226 13.721 -0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.345 14.621 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.149 15.895 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.503 15.567 -3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.867 16.020 -3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.312 14.405 -4.260 1.00 0.00 H new ATOM 1047 N GLU A 72 -1.169 18.064 -1.953 1.00 0.00 N ATOM 1048 CA GLU A 72 -2.301 18.826 -1.452 1.00 0.00 C ATOM 1049 C GLU A 72 -3.304 17.897 -0.764 1.00 0.00 C ATOM 1050 O GLU A 72 -4.204 17.363 -1.410 1.00 0.00 O ATOM 1051 CB GLU A 72 -2.970 19.619 -2.576 1.00 0.00 C ATOM 1052 CG GLU A 72 -2.232 20.935 -2.832 1.00 0.00 C ATOM 1053 CD GLU A 72 -2.227 21.813 -1.579 1.00 0.00 C ATOM 1054 OE1 GLU A 72 -3.238 22.522 -1.379 1.00 0.00 O ATOM 1055 OE2 GLU A 72 -1.214 21.757 -0.851 1.00 0.00 O ATOM 0 H GLU A 72 -1.082 18.047 -2.969 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.934 19.542 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.984 19.022 -3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.008 19.825 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.207 20.728 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.709 21.470 -3.653 1.00 0.00 H new ATOM 1060 N SER A 73 -3.113 17.732 0.537 1.00 0.00 N ATOM 1061 CA SER A 73 -3.991 16.877 1.318 1.00 0.00 C ATOM 1062 C SER A 73 -3.563 16.892 2.787 1.00 0.00 C ATOM 1063 O SER A 73 -2.697 16.118 3.194 1.00 0.00 O ATOM 1064 CB SER A 73 -3.986 15.445 0.779 1.00 0.00 C ATOM 1065 OG SER A 73 -4.916 14.613 1.467 1.00 0.00 O ATOM 0 H SER A 73 -2.364 18.175 1.069 1.00 0.00 H new ATOM 0 HA SER A 73 -5.007 17.264 1.237 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.227 15.457 -0.284 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.985 15.025 0.874 1.00 0.00 H new ATOM 0 HG SER A 73 -4.884 13.708 1.093 1.00 0.00 H new ATOM 1070 N GLY A 74 -4.189 17.782 3.544 1.00 0.00 N ATOM 1071 CA GLY A 74 -3.885 17.908 4.959 1.00 0.00 C ATOM 1072 C GLY A 74 -3.958 19.369 5.407 1.00 0.00 C ATOM 1073 O GLY A 74 -3.848 20.279 4.587 1.00 0.00 O ATOM 0 H GLY A 74 -4.906 18.423 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.587 17.310 5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.889 17.512 5.157 1.00 0.00 H new ATOM 1077 N PRO A 75 -4.147 19.553 6.741 1.00 0.00 N ATOM 1078 CA PRO A 75 -4.237 20.888 7.308 1.00 0.00 C ATOM 1079 C PRO A 75 -2.856 21.546 7.378 1.00 0.00 C ATOM 1080 O PRO A 75 -2.237 21.586 8.441 1.00 0.00 O ATOM 1081 CB PRO A 75 -4.872 20.693 8.675 1.00 0.00 C ATOM 1082 CG PRO A 75 -4.689 19.223 9.014 1.00 0.00 C ATOM 1083 CD PRO A 75 -4.282 18.498 7.741 1.00 0.00 C ATOM 0 HA PRO A 75 -4.836 21.565 6.699 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.395 21.328 9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.928 20.961 8.657 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.927 19.101 9.783 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.614 18.805 9.412 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.345 17.957 7.875 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.033 17.766 7.445 1.00 0.00 H new ATOM 1088 N SER A 76 -2.416 22.046 6.233 1.00 0.00 N ATOM 1089 CA SER A 76 -1.121 22.701 6.152 1.00 0.00 C ATOM 1090 C SER A 76 -1.147 24.013 6.939 1.00 0.00 C ATOM 1091 O SER A 76 -2.128 24.753 6.884 1.00 0.00 O ATOM 1092 CB SER A 76 -0.727 22.962 4.697 1.00 0.00 C ATOM 1093 OG SER A 76 0.190 21.987 4.209 1.00 0.00 O ATOM 0 H SER A 76 -2.932 22.011 5.354 1.00 0.00 H new ATOM 0 HA SER A 76 -0.374 22.038 6.589 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.621 22.962 4.074 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.280 23.953 4.615 1.00 0.00 H new ATOM 0 HG SER A 76 0.415 22.188 3.277 1.00 0.00 H new ATOM 1098 N SER A 77 -0.058 24.259 7.652 1.00 0.00 N ATOM 1099 CA SER A 77 0.055 25.470 8.449 1.00 0.00 C ATOM 1100 C SER A 77 -0.991 25.461 9.565 1.00 0.00 C ATOM 1101 O SER A 77 -2.125 25.893 9.361 1.00 0.00 O ATOM 1102 CB SER A 77 -0.105 26.719 7.580 1.00 0.00 C ATOM 1103 OG SER A 77 0.875 27.708 7.882 1.00 0.00 O ATOM 0 H SER A 77 0.753 23.642 7.695 1.00 0.00 H new ATOM 0 HA SER A 77 1.050 25.496 8.893 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.028 26.442 6.529 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.100 27.138 7.727 1.00 0.00 H new ATOM 0 HG SER A 77 0.740 28.489 7.305 1.00 0.00 H new ATOM 1108 N GLY A 78 -0.574 24.964 10.720 1.00 0.00 N ATOM 1109 CA GLY A 78 -1.461 24.893 11.868 1.00 0.00 C ATOM 1110 C GLY A 78 -1.631 26.270 12.516 1.00 0.00 C ATOM 1111 O GLY A 78 -2.093 26.373 13.651 1.00 0.00 O ATOM 0 H GLY A 78 0.367 24.606 10.885 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.433 24.511 11.558 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.061 24.190 12.599 1.00 0.00 H new TER 1115 GLY A 78