USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 795 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 Single : A 1 GLY N :NH3+ -119:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 18 THR OG1 : rot 53:sc= 0.15 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 72:sc= 0.63 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.03) USER MOD Single : A 39 MET CE :methyl -178:sc= 0 (180deg=-0.0115) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.671 X(o=-0.67,f=-0.38) USER MOD Single : A 56 GLN : amide:sc= -0.0145 X(o=-0.014,f=-0.03) USER MOD Single : A 57 MET CE :methyl -112:sc= -2.29 (180deg=-5.44!) USER MOD Single : A 67 GLN : amide:sc= -0.0175 X(o=-0.017,f=-0.0079) USER MOD Single : A 68 SER OG : rot -44:sc= 0.668 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 76 MET CE :methyl -175:sc= -1.19 (180deg=-1.21) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 150:sc= -1.72 USER MOD Single : A 80 LYS NZ :NH3+ -147:sc= 0.184 (180deg=0.0184) USER MOD Single : A 81 GLN : amide:sc= -0.115 K(o=-0.11,f=-1.3) USER MOD Single : A 83 MET CE :methyl -110:sc= 0 (180deg=-0.183) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -119:sc= 0.694 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -69:sc= 0.353 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.596 -15.891 2.902 1.00 0.00 N ATOM 2 CA GLY A 1 -33.611 -16.411 1.969 1.00 0.00 C ATOM 3 C GLY A 1 -33.029 -15.290 1.105 1.00 0.00 C ATOM 4 O GLY A 1 -33.428 -14.133 1.231 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.284 -16.078 3.876 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.699 -14.866 2.762 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.511 -16.357 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.810 -16.905 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.072 -17.165 1.331 1.00 0.00 H new ATOM 8 N SER A 2 -32.095 -15.672 0.246 1.00 0.00 N ATOM 9 CA SER A 2 -31.455 -14.714 -0.639 1.00 0.00 C ATOM 10 C SER A 2 -30.514 -13.811 0.160 1.00 0.00 C ATOM 11 O SER A 2 -30.948 -13.106 1.070 1.00 0.00 O ATOM 12 CB SER A 2 -32.494 -13.873 -1.383 1.00 0.00 C ATOM 13 OG SER A 2 -32.067 -13.542 -2.702 1.00 0.00 O ATOM 0 H SER A 2 -31.766 -16.632 0.144 1.00 0.00 H new ATOM 0 HA SER A 2 -30.876 -15.266 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.435 -14.421 -1.433 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.687 -12.957 -0.824 1.00 0.00 H new ATOM 0 HG SER A 2 -32.758 -13.006 -3.145 1.00 0.00 H new ATOM 19 N SER A 3 -29.242 -13.863 -0.208 1.00 0.00 N ATOM 20 CA SER A 3 -28.235 -13.058 0.464 1.00 0.00 C ATOM 21 C SER A 3 -27.884 -11.839 -0.391 1.00 0.00 C ATOM 22 O SER A 3 -28.270 -10.717 -0.066 1.00 0.00 O ATOM 23 CB SER A 3 -26.979 -13.880 0.757 1.00 0.00 C ATOM 24 OG SER A 3 -27.228 -15.281 0.682 1.00 0.00 O ATOM 0 H SER A 3 -28.886 -14.450 -0.962 1.00 0.00 H new ATOM 0 HA SER A 3 -28.646 -12.720 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.197 -13.612 0.047 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.606 -13.631 1.751 1.00 0.00 H new ATOM 0 HG SER A 3 -26.401 -15.771 0.874 1.00 0.00 H new ATOM 30 N GLY A 4 -27.157 -12.100 -1.468 1.00 0.00 N ATOM 31 CA GLY A 4 -26.750 -11.038 -2.372 1.00 0.00 C ATOM 32 C GLY A 4 -25.492 -11.431 -3.148 1.00 0.00 C ATOM 33 O GLY A 4 -25.134 -12.607 -3.204 1.00 0.00 O ATOM 0 H GLY A 4 -26.839 -13.032 -1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.559 -10.820 -3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.562 -10.126 -1.806 1.00 0.00 H new ATOM 37 N SER A 5 -24.855 -10.425 -3.729 1.00 0.00 N ATOM 38 CA SER A 5 -23.644 -10.651 -4.500 1.00 0.00 C ATOM 39 C SER A 5 -22.452 -9.988 -3.807 1.00 0.00 C ATOM 40 O SER A 5 -22.623 -9.046 -3.034 1.00 0.00 O ATOM 41 CB SER A 5 -23.792 -10.118 -5.927 1.00 0.00 C ATOM 42 OG SER A 5 -23.448 -11.100 -6.901 1.00 0.00 O ATOM 0 H SER A 5 -25.155 -9.451 -3.681 1.00 0.00 H new ATOM 0 HA SER A 5 -23.471 -11.726 -4.559 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.820 -9.792 -6.088 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.156 -9.242 -6.055 1.00 0.00 H new ATOM 0 HG SER A 5 -23.557 -10.722 -7.799 1.00 0.00 H new ATOM 48 N SER A 6 -21.270 -10.506 -4.110 1.00 0.00 N ATOM 49 CA SER A 6 -20.050 -9.976 -3.526 1.00 0.00 C ATOM 50 C SER A 6 -18.830 -10.609 -4.199 1.00 0.00 C ATOM 51 O SER A 6 -18.921 -11.703 -4.753 1.00 0.00 O ATOM 52 CB SER A 6 -20.009 -10.221 -2.016 1.00 0.00 C ATOM 53 OG SER A 6 -19.958 -9.003 -1.279 1.00 0.00 O ATOM 0 H SER A 6 -21.132 -11.287 -4.752 1.00 0.00 H new ATOM 0 HA SER A 6 -20.032 -8.899 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.890 -10.789 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.139 -10.830 -1.771 1.00 0.00 H new ATOM 0 HG SER A 6 -19.935 -9.202 -0.320 1.00 0.00 H new ATOM 59 N GLY A 7 -17.717 -9.893 -4.129 1.00 0.00 N ATOM 60 CA GLY A 7 -16.481 -10.371 -4.724 1.00 0.00 C ATOM 61 C GLY A 7 -15.339 -10.354 -3.706 1.00 0.00 C ATOM 62 O GLY A 7 -15.492 -9.827 -2.605 1.00 0.00 O ATOM 0 H GLY A 7 -17.646 -8.985 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.622 -11.384 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.220 -9.747 -5.579 1.00 0.00 H new ATOM 66 N GLU A 8 -14.220 -10.936 -4.110 1.00 0.00 N ATOM 67 CA GLU A 8 -13.053 -10.994 -3.247 1.00 0.00 C ATOM 68 C GLU A 8 -11.785 -10.691 -4.047 1.00 0.00 C ATOM 69 O GLU A 8 -11.692 -11.036 -5.224 1.00 0.00 O ATOM 70 CB GLU A 8 -12.951 -12.354 -2.553 1.00 0.00 C ATOM 71 CG GLU A 8 -12.688 -13.469 -3.567 1.00 0.00 C ATOM 72 CD GLU A 8 -13.917 -14.365 -3.728 1.00 0.00 C ATOM 73 OE1 GLU A 8 -14.469 -14.765 -2.680 1.00 0.00 O ATOM 74 OE2 GLU A 8 -14.277 -14.631 -4.895 1.00 0.00 O ATOM 0 H GLU A 8 -14.097 -11.372 -5.024 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.161 -10.235 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.148 -12.331 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.874 -12.560 -2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.422 -13.034 -4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.837 -14.068 -3.242 1.00 0.00 H new ATOM 81 N GLY A 9 -10.839 -10.049 -3.377 1.00 0.00 N ATOM 82 CA GLY A 9 -9.581 -9.696 -4.011 1.00 0.00 C ATOM 83 C GLY A 9 -8.882 -8.565 -3.252 1.00 0.00 C ATOM 84 O GLY A 9 -9.500 -7.548 -2.940 1.00 0.00 O ATOM 0 H GLY A 9 -10.919 -9.764 -2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.931 -10.570 -4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.762 -9.390 -5.041 1.00 0.00 H new ATOM 88 N TYR A 10 -7.604 -8.782 -2.977 1.00 0.00 N ATOM 89 CA TYR A 10 -6.816 -7.794 -2.261 1.00 0.00 C ATOM 90 C TYR A 10 -5.833 -7.091 -3.199 1.00 0.00 C ATOM 91 O TYR A 10 -5.872 -5.870 -3.343 1.00 0.00 O ATOM 92 CB TYR A 10 -6.027 -8.570 -1.204 1.00 0.00 C ATOM 93 CG TYR A 10 -6.859 -8.996 0.006 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.760 -8.115 0.569 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.710 -10.262 0.535 1.00 0.00 C ATOM 96 CE1 TYR A 10 -8.544 -8.516 1.708 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.494 -10.663 1.675 1.00 0.00 C ATOM 98 CZ TYR A 10 -8.372 -9.771 2.205 1.00 0.00 C ATOM 99 OH TYR A 10 -9.113 -10.149 3.281 1.00 0.00 O ATOM 0 H TYR A 10 -7.095 -9.627 -3.237 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.461 -7.031 -1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.596 -9.458 -1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.196 -7.954 -0.861 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.877 -7.124 0.155 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.006 -10.952 0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.253 -7.836 2.158 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.387 -11.650 2.099 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.887 -11.070 3.527 1.00 0.00 H new ATOM 109 N GLU A 11 -4.976 -7.892 -3.814 1.00 0.00 N ATOM 110 CA GLU A 11 -3.985 -7.362 -4.735 1.00 0.00 C ATOM 111 C GLU A 11 -4.606 -6.276 -5.616 1.00 0.00 C ATOM 112 O GLU A 11 -4.114 -5.149 -5.658 1.00 0.00 O ATOM 113 CB GLU A 11 -3.376 -8.477 -5.587 1.00 0.00 C ATOM 114 CG GLU A 11 -2.712 -9.538 -4.708 1.00 0.00 C ATOM 115 CD GLU A 11 -3.663 -10.708 -4.448 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.680 -10.471 -3.761 1.00 0.00 O ATOM 117 OE2 GLU A 11 -3.351 -11.813 -4.942 1.00 0.00 O ATOM 0 H GLU A 11 -4.947 -8.904 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.180 -6.914 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.152 -8.939 -6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.641 -8.055 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.806 -9.902 -5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.410 -9.093 -3.760 1.00 0.00 H new ATOM 124 N GLN A 12 -5.678 -6.653 -6.298 1.00 0.00 N ATOM 125 CA GLN A 12 -6.371 -5.725 -7.175 1.00 0.00 C ATOM 126 C GLN A 12 -6.506 -4.358 -6.502 1.00 0.00 C ATOM 127 O GLN A 12 -5.947 -3.370 -6.977 1.00 0.00 O ATOM 128 CB GLN A 12 -7.741 -6.274 -7.580 1.00 0.00 C ATOM 129 CG GLN A 12 -8.334 -5.467 -8.737 1.00 0.00 C ATOM 130 CD GLN A 12 -9.827 -5.759 -8.900 1.00 0.00 C ATOM 131 OE1 GLN A 12 -10.247 -6.883 -9.119 1.00 0.00 O ATOM 132 NE2 GLN A 12 -10.604 -4.685 -8.781 1.00 0.00 N ATOM 0 H GLN A 12 -6.083 -7.588 -6.261 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.781 -5.604 -8.083 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.646 -7.320 -7.872 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.417 -6.242 -6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.186 -4.402 -8.556 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.809 -5.710 -9.661 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.188 -3.772 -8.597 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.616 -4.775 -8.873 1.00 0.00 H new ATOM 141 N ASP A 13 -7.250 -4.344 -5.406 1.00 0.00 N ATOM 142 CA ASP A 13 -7.465 -3.114 -4.663 1.00 0.00 C ATOM 143 C ASP A 13 -6.127 -2.394 -4.478 1.00 0.00 C ATOM 144 O ASP A 13 -5.980 -1.239 -4.873 1.00 0.00 O ATOM 145 CB ASP A 13 -8.042 -3.402 -3.275 1.00 0.00 C ATOM 146 CG ASP A 13 -9.497 -2.972 -3.078 1.00 0.00 C ATOM 147 OD1 ASP A 13 -9.702 -1.764 -2.829 1.00 0.00 O ATOM 148 OD2 ASP A 13 -10.370 -3.860 -3.181 1.00 0.00 O ATOM 0 H ASP A 13 -7.712 -5.165 -5.014 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.168 -2.499 -5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.966 -4.472 -3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.426 -2.898 -2.530 1.00 0.00 H new ATOM 153 N PHE A 14 -5.186 -3.108 -3.878 1.00 0.00 N ATOM 154 CA PHE A 14 -3.865 -2.552 -3.636 1.00 0.00 C ATOM 155 C PHE A 14 -3.270 -1.974 -4.922 1.00 0.00 C ATOM 156 O PHE A 14 -3.002 -0.776 -5.002 1.00 0.00 O ATOM 157 CB PHE A 14 -2.979 -3.700 -3.149 1.00 0.00 C ATOM 158 CG PHE A 14 -1.541 -3.284 -2.832 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.253 -2.685 -1.645 1.00 0.00 C ATOM 160 CD2 PHE A 14 -0.551 -3.514 -3.736 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.082 -2.299 -1.350 1.00 0.00 C ATOM 162 CE2 PHE A 14 0.783 -3.128 -3.441 1.00 0.00 C ATOM 163 CZ PHE A 14 1.072 -2.529 -2.254 1.00 0.00 C ATOM 0 H PHE A 14 -5.312 -4.066 -3.552 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.928 -1.748 -2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.426 -4.136 -2.256 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.961 -4.480 -3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.039 -2.503 -0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.780 -3.990 -4.678 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.311 -1.823 -0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.569 -3.310 -4.159 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.087 -2.236 -2.030 1.00 0.00 H new ATOM 173 N ALA A 15 -3.081 -2.852 -5.896 1.00 0.00 N ATOM 174 CA ALA A 15 -2.522 -2.444 -7.173 1.00 0.00 C ATOM 175 C ALA A 15 -3.224 -1.170 -7.648 1.00 0.00 C ATOM 176 O ALA A 15 -2.588 -0.277 -8.206 1.00 0.00 O ATOM 177 CB ALA A 15 -2.653 -3.591 -8.178 1.00 0.00 C ATOM 0 H ALA A 15 -3.305 -3.845 -5.826 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.460 -2.218 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.234 -3.285 -9.136 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.113 -4.463 -7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.706 -3.844 -8.307 1.00 0.00 H new ATOM 183 N VAL A 16 -4.527 -1.127 -7.410 1.00 0.00 N ATOM 184 CA VAL A 16 -5.322 0.023 -7.807 1.00 0.00 C ATOM 185 C VAL A 16 -4.953 1.221 -6.929 1.00 0.00 C ATOM 186 O VAL A 16 -4.895 2.352 -7.409 1.00 0.00 O ATOM 187 CB VAL A 16 -6.811 -0.325 -7.747 1.00 0.00 C ATOM 188 CG1 VAL A 16 -7.672 0.938 -7.806 1.00 0.00 C ATOM 189 CG2 VAL A 16 -7.191 -1.300 -8.863 1.00 0.00 C ATOM 0 H VAL A 16 -5.052 -1.869 -6.948 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.107 0.298 -8.840 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.002 -0.816 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.726 0.662 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.430 1.583 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.475 1.470 -8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.254 -1.531 -8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.977 -0.847 -9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.613 -2.218 -8.757 1.00 0.00 H new ATOM 199 N LEU A 17 -4.712 0.931 -5.659 1.00 0.00 N ATOM 200 CA LEU A 17 -4.350 1.970 -4.710 1.00 0.00 C ATOM 201 C LEU A 17 -3.018 2.594 -5.128 1.00 0.00 C ATOM 202 O LEU A 17 -2.968 3.763 -5.510 1.00 0.00 O ATOM 203 CB LEU A 17 -4.349 1.416 -3.284 1.00 0.00 C ATOM 204 CG LEU A 17 -5.669 1.531 -2.518 1.00 0.00 C ATOM 205 CD1 LEU A 17 -5.715 0.541 -1.353 1.00 0.00 C ATOM 206 CD2 LEU A 17 -5.912 2.970 -2.058 1.00 0.00 C ATOM 0 H LEU A 17 -4.760 -0.009 -5.265 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.092 2.768 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.066 0.364 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.576 1.933 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.481 1.268 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.663 0.644 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.621 -0.475 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.894 0.748 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.856 3.024 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.099 3.285 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.954 3.627 -2.926 1.00 0.00 H new ATOM 218 N THR A 18 -1.970 1.788 -5.042 1.00 0.00 N ATOM 219 CA THR A 18 -0.640 2.247 -5.407 1.00 0.00 C ATOM 220 C THR A 18 -0.696 3.074 -6.693 1.00 0.00 C ATOM 221 O THR A 18 0.150 3.939 -6.916 1.00 0.00 O ATOM 222 CB THR A 18 0.271 1.022 -5.511 1.00 0.00 C ATOM 223 OG1 THR A 18 -0.593 -0.015 -5.966 1.00 0.00 O ATOM 224 CG2 THR A 18 0.753 0.533 -4.144 1.00 0.00 C ATOM 0 H THR A 18 -2.015 0.820 -4.725 1.00 0.00 H new ATOM 0 HA THR A 18 -0.229 2.912 -4.648 1.00 0.00 H new ATOM 0 HB THR A 18 1.132 1.262 -6.135 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.064 0.282 -6.772 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.396 -0.338 -4.275 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.314 1.327 -3.650 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.106 0.261 -3.531 1.00 0.00 H new ATOM 232 N ALA A 19 -1.700 2.779 -7.506 1.00 0.00 N ATOM 233 CA ALA A 19 -1.877 3.485 -8.763 1.00 0.00 C ATOM 234 C ALA A 19 -2.692 4.757 -8.519 1.00 0.00 C ATOM 235 O ALA A 19 -2.229 5.859 -8.809 1.00 0.00 O ATOM 236 CB ALA A 19 -2.540 2.554 -9.782 1.00 0.00 C ATOM 0 H ALA A 19 -2.399 2.060 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.913 3.785 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.673 3.083 -10.726 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.908 1.680 -9.942 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.512 2.235 -9.405 1.00 0.00 H new ATOM 242 N GLU A 20 -3.890 4.561 -7.990 1.00 0.00 N ATOM 243 CA GLU A 20 -4.773 5.679 -7.704 1.00 0.00 C ATOM 244 C GLU A 20 -4.059 6.709 -6.826 1.00 0.00 C ATOM 245 O GLU A 20 -4.419 7.885 -6.825 1.00 0.00 O ATOM 246 CB GLU A 20 -6.068 5.200 -7.045 1.00 0.00 C ATOM 247 CG GLU A 20 -7.284 5.911 -7.643 1.00 0.00 C ATOM 248 CD GLU A 20 -7.600 5.374 -9.040 1.00 0.00 C ATOM 249 OE1 GLU A 20 -8.323 4.356 -9.107 1.00 0.00 O ATOM 250 OE2 GLU A 20 -7.111 5.992 -10.010 1.00 0.00 O ATOM 0 H GLU A 20 -4.270 3.645 -7.752 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.039 6.157 -8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.171 4.123 -7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.025 5.387 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.147 5.772 -6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.094 6.983 -7.696 1.00 0.00 H new ATOM 257 N ILE A 21 -3.060 6.228 -6.100 1.00 0.00 N ATOM 258 CA ILE A 21 -2.292 7.092 -5.220 1.00 0.00 C ATOM 259 C ILE A 21 -1.242 7.845 -6.039 1.00 0.00 C ATOM 260 O ILE A 21 -1.320 9.064 -6.185 1.00 0.00 O ATOM 261 CB ILE A 21 -1.705 6.288 -4.058 1.00 0.00 C ATOM 262 CG1 ILE A 21 -2.807 5.574 -3.273 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.842 7.175 -3.158 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.248 4.365 -2.519 1.00 0.00 C ATOM 0 H ILE A 21 -2.765 5.252 -6.103 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.939 7.842 -4.764 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.053 5.518 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.264 6.268 -2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.593 5.250 -3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.437 6.579 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.023 7.596 -3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.451 7.983 -2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.052 3.875 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.814 3.662 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.480 4.696 -1.820 1.00 0.00 H new ATOM 276 N THR A 22 -0.285 7.088 -6.554 1.00 0.00 N ATOM 277 CA THR A 22 0.780 7.668 -7.355 1.00 0.00 C ATOM 278 C THR A 22 0.241 8.822 -8.202 1.00 0.00 C ATOM 279 O THR A 22 0.866 9.878 -8.288 1.00 0.00 O ATOM 280 CB THR A 22 1.410 6.548 -8.185 1.00 0.00 C ATOM 281 OG1 THR A 22 2.761 6.966 -8.361 1.00 0.00 O ATOM 282 CG2 THR A 22 0.851 6.488 -9.608 1.00 0.00 C ATOM 0 H THR A 22 -0.224 6.077 -6.432 1.00 0.00 H new ATOM 0 HA THR A 22 1.557 8.103 -6.726 1.00 0.00 H new ATOM 0 HB THR A 22 1.244 5.591 -7.689 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.245 6.296 -8.888 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.332 5.676 -10.154 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.224 6.313 -9.569 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.047 7.432 -10.116 1.00 0.00 H new ATOM 290 N SER A 23 -0.915 8.583 -8.805 1.00 0.00 N ATOM 291 CA SER A 23 -1.545 9.590 -9.642 1.00 0.00 C ATOM 292 C SER A 23 -1.791 10.864 -8.832 1.00 0.00 C ATOM 293 O SER A 23 -1.325 11.940 -9.204 1.00 0.00 O ATOM 294 CB SER A 23 -2.859 9.073 -10.230 1.00 0.00 C ATOM 295 OG SER A 23 -2.685 7.841 -10.926 1.00 0.00 O ATOM 0 H SER A 23 -1.431 7.707 -8.730 1.00 0.00 H new ATOM 0 HA SER A 23 -0.872 9.817 -10.469 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.586 8.937 -9.429 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.270 9.819 -10.910 1.00 0.00 H new ATOM 0 HG SER A 23 -2.524 7.121 -10.281 1.00 0.00 H new ATOM 301 N LYS A 24 -2.522 10.701 -7.739 1.00 0.00 N ATOM 302 CA LYS A 24 -2.835 11.825 -6.873 1.00 0.00 C ATOM 303 C LYS A 24 -1.534 12.465 -6.385 1.00 0.00 C ATOM 304 O LYS A 24 -1.495 13.661 -6.100 1.00 0.00 O ATOM 305 CB LYS A 24 -3.767 11.387 -5.742 1.00 0.00 C ATOM 306 CG LYS A 24 -5.103 10.887 -6.295 1.00 0.00 C ATOM 307 CD LYS A 24 -5.896 10.141 -5.220 1.00 0.00 C ATOM 308 CE LYS A 24 -7.317 9.836 -5.700 1.00 0.00 C ATOM 309 NZ LYS A 24 -7.969 8.858 -4.800 1.00 0.00 N ATOM 0 H LYS A 24 -2.907 9.807 -7.433 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.380 12.591 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.292 10.597 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.940 12.223 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.687 11.731 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.925 10.227 -7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.386 9.211 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.936 10.741 -4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.902 10.755 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.287 9.441 -6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.932 8.662 -5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.419 7.975 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.014 9.249 -3.837 1.00 0.00 H new ATOM 323 N ILE A 25 -0.500 11.640 -6.304 1.00 0.00 N ATOM 324 CA ILE A 25 0.800 12.111 -5.855 1.00 0.00 C ATOM 325 C ILE A 25 1.416 13.001 -6.936 1.00 0.00 C ATOM 326 O ILE A 25 2.156 13.935 -6.629 1.00 0.00 O ATOM 327 CB ILE A 25 1.686 10.932 -5.451 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.246 10.351 -4.105 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.163 11.331 -5.448 1.00 0.00 C ATOM 330 CD1 ILE A 25 1.995 9.053 -3.797 1.00 0.00 C ATOM 0 H ILE A 25 -0.536 10.649 -6.542 1.00 0.00 H new ATOM 0 HA ILE A 25 0.695 12.723 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 25 1.567 10.145 -6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.430 11.078 -3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.173 10.161 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.771 10.474 -5.157 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.453 11.660 -6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.319 12.144 -4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.664 8.661 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.790 8.320 -4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.066 9.251 -3.758 1.00 0.00 H new ATOM 342 N ALA A 26 1.088 12.681 -8.179 1.00 0.00 N ATOM 343 CA ALA A 26 1.601 13.440 -9.308 1.00 0.00 C ATOM 344 C ALA A 26 0.831 14.758 -9.421 1.00 0.00 C ATOM 345 O ALA A 26 1.296 15.699 -10.063 1.00 0.00 O ATOM 346 CB ALA A 26 1.501 12.595 -10.579 1.00 0.00 C ATOM 0 H ALA A 26 0.473 11.907 -8.430 1.00 0.00 H new ATOM 0 HA ALA A 26 2.653 13.684 -9.161 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.886 13.164 -11.425 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.087 11.684 -10.458 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.459 12.334 -10.761 1.00 0.00 H new ATOM 352 N ARG A 27 -0.332 14.783 -8.789 1.00 0.00 N ATOM 353 CA ARG A 27 -1.170 15.970 -8.811 1.00 0.00 C ATOM 354 C ARG A 27 -0.864 16.859 -7.604 1.00 0.00 C ATOM 355 O ARG A 27 -1.221 18.036 -7.589 1.00 0.00 O ATOM 356 CB ARG A 27 -2.654 15.597 -8.798 1.00 0.00 C ATOM 357 CG ARG A 27 -3.222 15.556 -10.218 1.00 0.00 C ATOM 358 CD ARG A 27 -4.733 15.800 -10.211 1.00 0.00 C ATOM 359 NE ARG A 27 -5.340 15.245 -11.442 1.00 0.00 N ATOM 360 CZ ARG A 27 -6.644 14.966 -11.575 1.00 0.00 C ATOM 361 NH1 ARG A 27 -7.485 15.188 -10.556 1.00 0.00 N ATOM 362 NH2 ARG A 27 -7.107 14.464 -12.728 1.00 0.00 N ATOM 0 H ARG A 27 -0.715 14.000 -8.258 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.951 16.513 -9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.784 14.625 -8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.209 16.321 -8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.731 16.311 -10.832 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.008 14.588 -10.671 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.181 15.335 -9.333 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.937 16.869 -10.145 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.728 15.064 -12.238 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.133 15.570 -9.678 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.477 14.975 -10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.467 14.294 -13.504 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.099 14.251 -12.830 1.00 0.00 H new ATOM 376 N VAL A 28 -0.206 16.261 -6.621 1.00 0.00 N ATOM 377 CA VAL A 28 0.152 16.984 -5.413 1.00 0.00 C ATOM 378 C VAL A 28 0.902 18.263 -5.792 1.00 0.00 C ATOM 379 O VAL A 28 0.541 19.352 -5.349 1.00 0.00 O ATOM 380 CB VAL A 28 0.953 16.076 -4.478 1.00 0.00 C ATOM 381 CG1 VAL A 28 2.144 16.824 -3.875 1.00 0.00 C ATOM 382 CG2 VAL A 28 0.060 15.493 -3.381 1.00 0.00 C ATOM 0 H VAL A 28 0.088 15.284 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.743 17.282 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 28 1.342 15.247 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.697 16.156 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.800 17.168 -4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.785 17.682 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.655 14.851 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.372 16.304 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.739 14.908 -3.835 1.00 0.00 H new ATOM 392 N PRO A 29 1.959 18.083 -6.628 1.00 0.00 N ATOM 393 CA PRO A 29 2.763 19.209 -7.072 1.00 0.00 C ATOM 394 C PRO A 29 2.021 20.029 -8.129 1.00 0.00 C ATOM 395 O PRO A 29 2.549 21.017 -8.637 1.00 0.00 O ATOM 396 CB PRO A 29 4.050 18.592 -7.594 1.00 0.00 C ATOM 397 CG PRO A 29 3.735 17.128 -7.854 1.00 0.00 C ATOM 398 CD PRO A 29 2.415 16.807 -7.172 1.00 0.00 C ATOM 0 HA PRO A 29 2.973 19.918 -6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.379 19.089 -8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.855 18.695 -6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.668 16.936 -8.925 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.530 16.492 -7.465 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.693 16.397 -7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.546 16.065 -6.384 1.00 0.00 H new ATOM 406 N ARG A 30 0.808 19.589 -8.430 1.00 0.00 N ATOM 407 CA ARG A 30 -0.011 20.270 -9.418 1.00 0.00 C ATOM 408 C ARG A 30 -1.344 20.696 -8.799 1.00 0.00 C ATOM 409 O ARG A 30 -2.240 21.159 -9.504 1.00 0.00 O ATOM 410 CB ARG A 30 -0.282 19.369 -10.625 1.00 0.00 C ATOM 411 CG ARG A 30 0.979 19.193 -11.472 1.00 0.00 C ATOM 412 CD ARG A 30 0.795 18.080 -12.505 1.00 0.00 C ATOM 413 NE ARG A 30 2.072 17.826 -13.209 1.00 0.00 N ATOM 414 CZ ARG A 30 2.319 16.736 -13.948 1.00 0.00 C ATOM 415 NH1 ARG A 30 1.378 15.792 -14.084 1.00 0.00 N ATOM 416 NH2 ARG A 30 3.507 16.590 -14.550 1.00 0.00 N ATOM 0 H ARG A 30 0.373 18.769 -8.007 1.00 0.00 H new ATOM 0 HA ARG A 30 0.537 21.151 -9.753 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.634 18.395 -10.285 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.076 19.800 -11.234 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.215 20.129 -11.979 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.825 18.958 -10.826 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.454 17.169 -12.013 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.025 18.362 -13.223 1.00 0.00 H new ATOM 0 HE ARG A 30 2.810 18.525 -13.126 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.474 15.903 -13.625 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.566 14.962 -14.647 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.223 17.309 -14.446 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.695 15.760 -15.113 1.00 0.00 H new ATOM 430 N LEU A 31 -1.433 20.526 -7.488 1.00 0.00 N ATOM 431 CA LEU A 31 -2.641 20.887 -6.767 1.00 0.00 C ATOM 432 C LEU A 31 -2.371 22.133 -5.920 1.00 0.00 C ATOM 433 O LEU A 31 -1.229 22.403 -5.554 1.00 0.00 O ATOM 434 CB LEU A 31 -3.159 19.696 -5.959 1.00 0.00 C ATOM 435 CG LEU A 31 -3.944 18.642 -6.744 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.076 17.346 -5.943 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.305 19.187 -7.183 1.00 0.00 C ATOM 0 H LEU A 31 -0.688 20.143 -6.907 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.439 21.141 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.308 19.207 -5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.796 20.074 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.385 18.404 -7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.638 16.615 -6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.084 16.951 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.600 17.547 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.843 18.419 -7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.884 19.471 -6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.159 20.060 -7.819 1.00 0.00 H new ATOM 449 N PRO A 32 -3.471 22.878 -5.628 1.00 0.00 N ATOM 450 CA PRO A 32 -3.364 24.089 -4.832 1.00 0.00 C ATOM 451 C PRO A 32 -3.153 23.756 -3.353 1.00 0.00 C ATOM 452 O PRO A 32 -3.258 22.598 -2.953 1.00 0.00 O ATOM 453 CB PRO A 32 -4.656 24.846 -5.092 1.00 0.00 C ATOM 454 CG PRO A 32 -5.633 23.824 -5.651 1.00 0.00 C ATOM 455 CD PRO A 32 -4.840 22.589 -6.045 1.00 0.00 C ATOM 0 HA PRO A 32 -2.501 24.696 -5.104 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.039 25.291 -4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.496 25.660 -5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.389 23.571 -4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.159 24.231 -6.514 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.225 21.697 -5.550 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.897 22.408 -7.118 1.00 0.00 H new ATOM 463 N PRO A 33 -2.851 24.821 -2.562 1.00 0.00 N ATOM 464 CA PRO A 33 -2.625 24.653 -1.137 1.00 0.00 C ATOM 465 C PRO A 33 -3.944 24.431 -0.394 1.00 0.00 C ATOM 466 O PRO A 33 -3.959 24.312 0.830 1.00 0.00 O ATOM 467 CB PRO A 33 -1.904 25.919 -0.702 1.00 0.00 C ATOM 468 CG PRO A 33 -2.166 26.944 -1.793 1.00 0.00 C ATOM 469 CD PRO A 33 -2.719 26.206 -3.002 1.00 0.00 C ATOM 0 HA PRO A 33 -2.028 23.771 -0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.277 26.269 0.261 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.835 25.739 -0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.875 27.696 -1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.246 27.468 -2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.680 26.617 -3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.048 26.288 -3.857 1.00 0.00 H new ATOM 477 N ASP A 34 -5.020 24.382 -1.166 1.00 0.00 N ATOM 478 CA ASP A 34 -6.341 24.177 -0.597 1.00 0.00 C ATOM 479 C ASP A 34 -6.711 22.696 -0.700 1.00 0.00 C ATOM 480 O ASP A 34 -7.259 22.122 0.240 1.00 0.00 O ATOM 481 CB ASP A 34 -7.398 24.982 -1.354 1.00 0.00 C ATOM 482 CG ASP A 34 -7.575 26.426 -0.879 1.00 0.00 C ATOM 483 OD1 ASP A 34 -6.560 27.155 -0.891 1.00 0.00 O ATOM 484 OD2 ASP A 34 -8.721 26.767 -0.514 1.00 0.00 O ATOM 0 H ASP A 34 -5.004 24.481 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.315 24.504 0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.136 24.993 -2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.355 24.467 -1.268 1.00 0.00 H new ATOM 489 N GLU A 35 -6.396 22.119 -1.851 1.00 0.00 N ATOM 490 CA GLU A 35 -6.689 20.716 -2.089 1.00 0.00 C ATOM 491 C GLU A 35 -5.470 19.854 -1.750 1.00 0.00 C ATOM 492 O GLU A 35 -5.614 18.717 -1.305 1.00 0.00 O ATOM 493 CB GLU A 35 -7.138 20.486 -3.533 1.00 0.00 C ATOM 494 CG GLU A 35 -8.368 21.333 -3.866 1.00 0.00 C ATOM 495 CD GLU A 35 -9.581 20.448 -4.158 1.00 0.00 C ATOM 496 OE1 GLU A 35 -9.550 19.772 -5.209 1.00 0.00 O ATOM 497 OE2 GLU A 35 -10.511 20.466 -3.324 1.00 0.00 O ATOM 0 H GLU A 35 -5.941 22.598 -2.628 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.511 20.422 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.325 20.735 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.367 19.431 -3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.592 21.999 -3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.157 21.963 -4.730 1.00 0.00 H new ATOM 504 N LYS A 36 -4.298 20.430 -1.974 1.00 0.00 N ATOM 505 CA LYS A 36 -3.055 19.729 -1.698 1.00 0.00 C ATOM 506 C LYS A 36 -3.042 19.279 -0.236 1.00 0.00 C ATOM 507 O LYS A 36 -2.923 18.089 0.050 1.00 0.00 O ATOM 508 CB LYS A 36 -1.855 20.595 -2.086 1.00 0.00 C ATOM 509 CG LYS A 36 -0.540 19.854 -1.832 1.00 0.00 C ATOM 510 CD LYS A 36 0.653 20.667 -2.338 1.00 0.00 C ATOM 511 CE LYS A 36 1.925 20.312 -1.565 1.00 0.00 C ATOM 512 NZ LYS A 36 2.044 21.148 -0.350 1.00 0.00 N ATOM 0 H LYS A 36 -4.183 21.374 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.981 18.829 -2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.925 20.869 -3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.871 21.522 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.427 19.661 -0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.562 18.885 -2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.804 20.476 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.444 21.731 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.907 19.258 -1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.797 20.459 -2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.913 20.894 0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.083 22.151 -0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.220 20.987 0.264 1.00 0.00 H new ATOM 526 N LYS A 37 -3.166 20.256 0.651 1.00 0.00 N ATOM 527 CA LYS A 37 -3.170 19.975 2.077 1.00 0.00 C ATOM 528 C LYS A 37 -3.982 18.705 2.340 1.00 0.00 C ATOM 529 O LYS A 37 -3.496 17.776 2.984 1.00 0.00 O ATOM 530 CB LYS A 37 -3.663 21.193 2.861 1.00 0.00 C ATOM 531 CG LYS A 37 -2.593 21.685 3.839 1.00 0.00 C ATOM 532 CD LYS A 37 -1.922 22.959 3.322 1.00 0.00 C ATOM 533 CE LYS A 37 -1.091 23.625 4.421 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.648 24.970 3.992 1.00 0.00 N ATOM 0 H LYS A 37 -3.264 21.242 0.410 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.157 19.785 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.925 21.994 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.570 20.935 3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.045 21.877 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.843 20.908 3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.283 22.719 2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.681 23.654 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.681 23.704 5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.224 23.007 4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.085 25.408 4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.067 24.887 3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.479 25.562 3.792 1.00 0.00 H new ATOM 548 N GLN A 38 -5.204 18.705 1.829 1.00 0.00 N ATOM 549 CA GLN A 38 -6.087 17.565 2.001 1.00 0.00 C ATOM 550 C GLN A 38 -5.563 16.363 1.212 1.00 0.00 C ATOM 551 O GLN A 38 -5.541 15.244 1.721 1.00 0.00 O ATOM 552 CB GLN A 38 -7.518 17.911 1.585 1.00 0.00 C ATOM 553 CG GLN A 38 -8.041 19.116 2.370 1.00 0.00 C ATOM 554 CD GLN A 38 -8.320 18.742 3.827 1.00 0.00 C ATOM 555 OE1 GLN A 38 -9.390 18.277 4.181 1.00 0.00 O ATOM 556 NE2 GLN A 38 -7.300 18.971 4.649 1.00 0.00 N ATOM 0 H GLN A 38 -5.603 19.477 1.295 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.105 17.302 3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.548 18.127 0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.168 17.052 1.755 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.311 19.924 2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.954 19.489 1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.431 19.363 4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.387 18.755 5.642 1.00 0.00 H new ATOM 565 N MET A 39 -5.153 16.637 -0.018 1.00 0.00 N ATOM 566 CA MET A 39 -4.630 15.593 -0.882 1.00 0.00 C ATOM 567 C MET A 39 -3.464 14.860 -0.214 1.00 0.00 C ATOM 568 O MET A 39 -3.497 13.640 -0.064 1.00 0.00 O ATOM 569 CB MET A 39 -4.157 16.209 -2.200 1.00 0.00 C ATOM 570 CG MET A 39 -3.673 15.129 -3.169 1.00 0.00 C ATOM 571 SD MET A 39 -4.916 13.859 -3.337 1.00 0.00 S ATOM 572 CE MET A 39 -5.807 14.483 -4.753 1.00 0.00 C ATOM 0 H MET A 39 -5.173 17.567 -0.436 1.00 0.00 H new ATOM 0 HA MET A 39 -5.426 14.873 -1.072 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.972 16.772 -2.655 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.350 16.916 -2.006 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.459 15.571 -4.142 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.742 14.693 -2.805 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.646 13.824 -4.974 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.180 15.484 -4.536 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.140 14.523 -5.614 1.00 0.00 H new ATOM 582 N VAL A 40 -2.462 15.637 0.170 1.00 0.00 N ATOM 583 CA VAL A 40 -1.288 15.078 0.819 1.00 0.00 C ATOM 584 C VAL A 40 -1.729 14.201 1.993 1.00 0.00 C ATOM 585 O VAL A 40 -0.985 13.324 2.431 1.00 0.00 O ATOM 586 CB VAL A 40 -0.336 16.200 1.235 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.743 15.679 2.188 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.291 16.870 0.011 1.00 0.00 C ATOM 0 H VAL A 40 -2.439 16.649 0.044 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.736 14.442 0.128 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.918 16.952 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.407 16.497 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.272 15.271 3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.319 14.898 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.964 17.664 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.852 16.131 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.495 17.293 -0.615 1.00 0.00 H new ATOM 598 N ALA A 41 -2.936 14.468 2.469 1.00 0.00 N ATOM 599 CA ALA A 41 -3.485 13.714 3.583 1.00 0.00 C ATOM 600 C ALA A 41 -4.301 12.538 3.045 1.00 0.00 C ATOM 601 O ALA A 41 -4.324 11.466 3.648 1.00 0.00 O ATOM 602 CB ALA A 41 -4.316 14.644 4.469 1.00 0.00 C ATOM 0 H ALA A 41 -3.549 15.196 2.103 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.685 13.305 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.728 14.078 5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.683 15.445 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.130 15.072 3.884 1.00 0.00 H new ATOM 608 N ASN A 42 -4.952 12.777 1.916 1.00 0.00 N ATOM 609 CA ASN A 42 -5.768 11.751 1.290 1.00 0.00 C ATOM 610 C ASN A 42 -4.894 10.537 0.967 1.00 0.00 C ATOM 611 O ASN A 42 -5.314 9.397 1.158 1.00 0.00 O ATOM 612 CB ASN A 42 -6.379 12.255 -0.019 1.00 0.00 C ATOM 613 CG ASN A 42 -7.499 11.328 -0.495 1.00 0.00 C ATOM 614 OD1 ASN A 42 -7.336 10.532 -1.404 1.00 0.00 O ATOM 615 ND2 ASN A 42 -8.642 11.476 0.169 1.00 0.00 N ATOM 0 H ASN A 42 -4.931 13.667 1.418 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.567 11.487 1.983 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.771 13.262 0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.606 12.319 -0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.450 10.903 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.710 12.162 0.921 1.00 0.00 H new ATOM 622 N VAL A 43 -3.694 10.824 0.482 1.00 0.00 N ATOM 623 CA VAL A 43 -2.757 9.771 0.131 1.00 0.00 C ATOM 624 C VAL A 43 -2.299 9.057 1.404 1.00 0.00 C ATOM 625 O VAL A 43 -2.057 7.851 1.391 1.00 0.00 O ATOM 626 CB VAL A 43 -1.597 10.351 -0.680 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.430 9.364 -0.751 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.057 10.758 -2.081 1.00 0.00 C ATOM 0 H VAL A 43 -3.350 11.771 0.324 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.239 9.027 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.246 11.248 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.381 9.801 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.077 9.145 0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.762 8.442 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.213 11.167 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.447 9.885 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.840 11.513 -2.002 1.00 0.00 H new ATOM 638 N GLU A 44 -2.193 9.831 2.474 1.00 0.00 N ATOM 639 CA GLU A 44 -1.768 9.288 3.752 1.00 0.00 C ATOM 640 C GLU A 44 -2.751 8.216 4.227 1.00 0.00 C ATOM 641 O GLU A 44 -2.362 7.269 4.909 1.00 0.00 O ATOM 642 CB GLU A 44 -1.619 10.396 4.797 1.00 0.00 C ATOM 643 CG GLU A 44 -0.368 11.236 4.531 1.00 0.00 C ATOM 644 CD GLU A 44 0.562 11.234 5.746 1.00 0.00 C ATOM 645 OE1 GLU A 44 0.029 11.375 6.868 1.00 0.00 O ATOM 646 OE2 GLU A 44 1.784 11.093 5.525 1.00 0.00 O ATOM 0 H GLU A 44 -2.394 10.831 2.482 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.790 8.824 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.501 11.036 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.561 9.956 5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.161 10.842 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.657 12.259 4.291 1.00 0.00 H new ATOM 653 N LYS A 45 -4.007 8.400 3.847 1.00 0.00 N ATOM 654 CA LYS A 45 -5.049 7.461 4.225 1.00 0.00 C ATOM 655 C LYS A 45 -4.980 6.235 3.313 1.00 0.00 C ATOM 656 O LYS A 45 -4.815 5.112 3.787 1.00 0.00 O ATOM 657 CB LYS A 45 -6.416 8.149 4.228 1.00 0.00 C ATOM 658 CG LYS A 45 -7.018 8.165 5.635 1.00 0.00 C ATOM 659 CD LYS A 45 -6.364 9.245 6.499 1.00 0.00 C ATOM 660 CE LYS A 45 -7.410 10.218 7.046 1.00 0.00 C ATOM 661 NZ LYS A 45 -6.752 11.387 7.673 1.00 0.00 N ATOM 0 H LYS A 45 -4.326 9.186 3.281 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.893 7.110 5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.314 9.170 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.090 7.630 3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.091 8.344 5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.884 7.190 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.828 8.779 7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.628 9.791 5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.063 10.550 6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.039 9.711 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.476 12.038 8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.147 11.066 8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.170 11.879 6.965 1.00 0.00 H new ATOM 675 N GLN A 46 -5.109 6.491 2.019 1.00 0.00 N ATOM 676 CA GLN A 46 -5.063 5.422 1.036 1.00 0.00 C ATOM 677 C GLN A 46 -3.775 4.613 1.192 1.00 0.00 C ATOM 678 O GLN A 46 -3.740 3.426 0.870 1.00 0.00 O ATOM 679 CB GLN A 46 -5.194 5.978 -0.384 1.00 0.00 C ATOM 680 CG GLN A 46 -6.658 6.007 -0.828 1.00 0.00 C ATOM 681 CD GLN A 46 -7.568 6.465 0.313 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.640 7.634 0.654 1.00 0.00 O ATOM 683 NE2 GLN A 46 -8.258 5.480 0.882 1.00 0.00 N ATOM 0 H GLN A 46 -5.245 7.423 1.629 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.909 4.757 1.210 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.778 6.985 -0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.613 5.365 -1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.770 6.678 -1.679 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.960 5.015 -1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.150 4.522 0.547 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.895 5.682 1.653 1.00 0.00 H new ATOM 692 N LEU A 47 -2.746 5.287 1.686 1.00 0.00 N ATOM 693 CA LEU A 47 -1.458 4.645 1.888 1.00 0.00 C ATOM 694 C LEU A 47 -1.565 3.651 3.047 1.00 0.00 C ATOM 695 O LEU A 47 -1.357 2.453 2.863 1.00 0.00 O ATOM 696 CB LEU A 47 -0.361 5.693 2.076 1.00 0.00 C ATOM 697 CG LEU A 47 0.303 6.207 0.797 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.170 7.434 1.083 1.00 0.00 C ATOM 699 CD2 LEU A 47 1.094 5.095 0.105 1.00 0.00 C ATOM 0 H LEU A 47 -2.778 6.271 1.952 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.173 4.075 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.787 6.544 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.412 5.270 2.718 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.481 6.521 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.630 7.778 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.550 8.229 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.949 7.170 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.556 5.487 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.869 4.727 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.421 4.278 -0.155 1.00 0.00 H new ATOM 711 N GLU A 48 -1.890 4.186 4.215 1.00 0.00 N ATOM 712 CA GLU A 48 -2.027 3.362 5.403 1.00 0.00 C ATOM 713 C GLU A 48 -3.043 2.244 5.160 1.00 0.00 C ATOM 714 O GLU A 48 -2.915 1.153 5.713 1.00 0.00 O ATOM 715 CB GLU A 48 -2.422 4.208 6.615 1.00 0.00 C ATOM 716 CG GLU A 48 -3.879 4.662 6.515 1.00 0.00 C ATOM 717 CD GLU A 48 -4.394 5.157 7.868 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.980 4.560 8.886 1.00 0.00 O ATOM 719 OE2 GLU A 48 -5.188 6.122 7.855 1.00 0.00 O ATOM 0 H GLU A 48 -2.062 5.180 4.363 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.060 2.907 5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.279 3.630 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.770 5.079 6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.965 5.458 5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.498 3.835 6.167 1.00 0.00 H new ATOM 726 N GLU A 49 -4.030 2.555 4.332 1.00 0.00 N ATOM 727 CA GLU A 49 -5.068 1.591 4.009 1.00 0.00 C ATOM 728 C GLU A 49 -4.473 0.408 3.243 1.00 0.00 C ATOM 729 O GLU A 49 -4.963 -0.715 3.350 1.00 0.00 O ATOM 730 CB GLU A 49 -6.197 2.248 3.213 1.00 0.00 C ATOM 731 CG GLU A 49 -6.901 3.323 4.044 1.00 0.00 C ATOM 732 CD GLU A 49 -8.372 2.967 4.268 1.00 0.00 C ATOM 733 OE1 GLU A 49 -8.628 1.785 4.586 1.00 0.00 O ATOM 734 OE2 GLU A 49 -9.207 3.884 4.117 1.00 0.00 O ATOM 0 H GLU A 49 -4.133 3.461 3.875 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.494 1.218 4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.794 2.693 2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.918 1.491 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.399 3.431 5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.829 4.285 3.537 1.00 0.00 H new ATOM 741 N ALA A 50 -3.424 0.700 2.488 1.00 0.00 N ATOM 742 CA ALA A 50 -2.757 -0.326 1.704 1.00 0.00 C ATOM 743 C ALA A 50 -1.701 -1.016 2.569 1.00 0.00 C ATOM 744 O ALA A 50 -1.356 -2.172 2.330 1.00 0.00 O ATOM 745 CB ALA A 50 -2.159 0.302 0.443 1.00 0.00 C ATOM 0 H ALA A 50 -3.019 1.632 2.402 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.469 -1.087 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.659 -0.468 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.954 0.753 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.438 1.069 0.725 1.00 0.00 H new ATOM 751 N ARG A 51 -1.216 -0.277 3.556 1.00 0.00 N ATOM 752 CA ARG A 51 -0.205 -0.803 4.458 1.00 0.00 C ATOM 753 C ARG A 51 -0.693 -2.103 5.101 1.00 0.00 C ATOM 754 O ARG A 51 0.069 -3.061 5.229 1.00 0.00 O ATOM 755 CB ARG A 51 0.132 0.206 5.557 1.00 0.00 C ATOM 756 CG ARG A 51 1.034 1.320 5.020 1.00 0.00 C ATOM 757 CD ARG A 51 1.786 2.013 6.159 1.00 0.00 C ATOM 758 NE ARG A 51 2.746 2.995 5.607 1.00 0.00 N ATOM 759 CZ ARG A 51 2.434 4.264 5.309 1.00 0.00 C ATOM 760 NH1 ARG A 51 1.187 4.712 5.507 1.00 0.00 N ATOM 761 NH2 ARG A 51 3.370 5.084 4.813 1.00 0.00 N ATOM 0 H ARG A 51 -1.504 0.682 3.751 1.00 0.00 H new ATOM 0 HA ARG A 51 0.693 -0.998 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.787 0.637 5.954 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.629 -0.303 6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.747 0.904 4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.433 2.051 4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.079 2.515 6.820 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.315 1.273 6.760 1.00 0.00 H new ATOM 0 HE ARG A 51 3.704 2.687 5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.475 4.087 5.885 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.950 5.678 5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.319 4.742 4.662 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.133 6.050 4.586 1.00 0.00 H new ATOM 775 N GLU A 52 -1.960 -2.095 5.489 1.00 0.00 N ATOM 776 CA GLU A 52 -2.558 -3.261 6.116 1.00 0.00 C ATOM 777 C GLU A 52 -2.644 -4.416 5.116 1.00 0.00 C ATOM 778 O GLU A 52 -2.447 -5.574 5.481 1.00 0.00 O ATOM 779 CB GLU A 52 -3.937 -2.929 6.690 1.00 0.00 C ATOM 780 CG GLU A 52 -4.998 -2.903 5.587 1.00 0.00 C ATOM 781 CD GLU A 52 -6.223 -2.098 6.024 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.019 -0.945 6.463 1.00 0.00 O ATOM 783 OE2 GLU A 52 -7.337 -2.654 5.910 1.00 0.00 O ATOM 0 H GLU A 52 -2.589 -1.299 5.381 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.921 -3.570 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.209 -3.668 7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.903 -1.961 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.576 -2.467 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.297 -3.922 5.341 1.00 0.00 H new ATOM 790 N LEU A 53 -2.938 -4.060 3.874 1.00 0.00 N ATOM 791 CA LEU A 53 -3.053 -5.052 2.819 1.00 0.00 C ATOM 792 C LEU A 53 -1.810 -5.944 2.826 1.00 0.00 C ATOM 793 O LEU A 53 -1.907 -7.149 3.052 1.00 0.00 O ATOM 794 CB LEU A 53 -3.315 -4.374 1.472 1.00 0.00 C ATOM 795 CG LEU A 53 -4.746 -4.474 0.939 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.181 -3.160 0.287 1.00 0.00 C ATOM 797 CD2 LEU A 53 -4.895 -5.663 -0.013 1.00 0.00 C ATOM 0 H LEU A 53 -3.100 -3.098 3.575 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.912 -5.699 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.054 -3.319 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.642 -4.807 0.732 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.413 -4.651 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.201 -3.258 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.138 -2.357 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.514 -2.928 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.921 -5.711 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.216 -5.541 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.654 -6.585 0.516 1.00 0.00 H new ATOM 809 N LEU A 54 -0.670 -5.318 2.576 1.00 0.00 N ATOM 810 CA LEU A 54 0.591 -6.039 2.550 1.00 0.00 C ATOM 811 C LEU A 54 0.689 -6.930 3.791 1.00 0.00 C ATOM 812 O LEU A 54 1.262 -8.017 3.735 1.00 0.00 O ATOM 813 CB LEU A 54 1.763 -5.067 2.398 1.00 0.00 C ATOM 814 CG LEU A 54 1.856 -4.334 1.058 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.313 -4.178 0.619 1.00 0.00 C ATOM 816 CD2 LEU A 54 1.007 -5.029 -0.008 1.00 0.00 C ATOM 0 H LEU A 54 -0.593 -4.318 2.389 1.00 0.00 H new ATOM 0 HA LEU A 54 0.636 -6.694 1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.698 -4.324 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.690 -5.619 2.553 1.00 0.00 H new ATOM 0 HG LEU A 54 1.450 -3.331 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.351 -3.654 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.860 -3.606 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.768 -5.163 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.091 -4.488 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.359 -6.051 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.035 -5.044 0.310 1.00 0.00 H new ATOM 828 N GLU A 55 0.121 -6.436 4.881 1.00 0.00 N ATOM 829 CA GLU A 55 0.136 -7.174 6.133 1.00 0.00 C ATOM 830 C GLU A 55 -0.781 -8.395 6.041 1.00 0.00 C ATOM 831 O GLU A 55 -0.359 -9.515 6.322 1.00 0.00 O ATOM 832 CB GLU A 55 -0.263 -6.274 7.304 1.00 0.00 C ATOM 833 CG GLU A 55 0.955 -5.906 8.153 1.00 0.00 C ATOM 834 CD GLU A 55 0.552 -5.648 9.607 1.00 0.00 C ATOM 835 OE1 GLU A 55 0.464 -6.644 10.357 1.00 0.00 O ATOM 836 OE2 GLU A 55 0.341 -4.461 9.935 1.00 0.00 O ATOM 0 H GLU A 55 -0.353 -5.534 4.923 1.00 0.00 H new ATOM 0 HA GLU A 55 1.153 -7.522 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.734 -5.367 6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.002 -6.783 7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.688 -6.712 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.435 -5.018 7.742 1.00 0.00 H new ATOM 843 N GLN A 56 -2.019 -8.136 5.647 1.00 0.00 N ATOM 844 CA GLN A 56 -3.000 -9.200 5.515 1.00 0.00 C ATOM 845 C GLN A 56 -2.565 -10.192 4.434 1.00 0.00 C ATOM 846 O GLN A 56 -2.592 -11.402 4.650 1.00 0.00 O ATOM 847 CB GLN A 56 -4.388 -8.632 5.211 1.00 0.00 C ATOM 848 CG GLN A 56 -5.010 -8.008 6.461 1.00 0.00 C ATOM 849 CD GLN A 56 -5.713 -9.068 7.312 1.00 0.00 C ATOM 850 OE1 GLN A 56 -6.661 -9.711 6.891 1.00 0.00 O ATOM 851 NE2 GLN A 56 -5.197 -9.214 8.529 1.00 0.00 N ATOM 0 H GLN A 56 -2.365 -7.205 5.415 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.061 -9.731 6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.313 -7.881 4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.035 -9.425 4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.235 -7.518 7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.724 -7.238 6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.403 -8.643 8.818 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.596 -9.897 9.173 1.00 0.00 H new ATOM 860 N MET A 57 -2.174 -9.641 3.294 1.00 0.00 N ATOM 861 CA MET A 57 -1.734 -10.462 2.179 1.00 0.00 C ATOM 862 C MET A 57 -0.602 -11.401 2.602 1.00 0.00 C ATOM 863 O MET A 57 -0.607 -12.581 2.254 1.00 0.00 O ATOM 864 CB MET A 57 -1.251 -9.561 1.040 1.00 0.00 C ATOM 865 CG MET A 57 -2.419 -8.804 0.407 1.00 0.00 C ATOM 866 SD MET A 57 -2.036 -8.396 -1.288 1.00 0.00 S ATOM 867 CE MET A 57 -1.427 -6.731 -1.076 1.00 0.00 C ATOM 0 H MET A 57 -2.153 -8.636 3.119 1.00 0.00 H new ATOM 0 HA MET A 57 -2.576 -11.067 1.844 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.516 -8.851 1.420 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.750 -10.164 0.282 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.322 -9.413 0.448 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.622 -7.894 0.972 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.125 -6.028 -1.530 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.331 -6.511 -0.013 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.453 -6.636 -1.556 1.00 0.00 H new ATOM 877 N ASP A 58 0.340 -10.842 3.347 1.00 0.00 N ATOM 878 CA ASP A 58 1.475 -11.615 3.822 1.00 0.00 C ATOM 879 C ASP A 58 1.016 -12.555 4.938 1.00 0.00 C ATOM 880 O ASP A 58 1.530 -13.665 5.070 1.00 0.00 O ATOM 881 CB ASP A 58 2.564 -10.702 4.390 1.00 0.00 C ATOM 882 CG ASP A 58 3.945 -11.347 4.522 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.131 -12.093 5.507 1.00 0.00 O ATOM 884 OD2 ASP A 58 4.783 -11.079 3.634 1.00 0.00 O ATOM 0 H ASP A 58 0.341 -9.863 3.633 1.00 0.00 H new ATOM 0 HA ASP A 58 1.878 -12.175 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.650 -9.823 3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.248 -10.352 5.373 1.00 0.00 H new ATOM 889 N LEU A 59 0.054 -12.076 5.713 1.00 0.00 N ATOM 890 CA LEU A 59 -0.480 -12.860 6.813 1.00 0.00 C ATOM 891 C LEU A 59 -1.382 -13.964 6.257 1.00 0.00 C ATOM 892 O LEU A 59 -1.838 -14.831 7.001 1.00 0.00 O ATOM 893 CB LEU A 59 -1.175 -11.952 7.830 1.00 0.00 C ATOM 894 CG LEU A 59 -0.318 -11.486 9.009 1.00 0.00 C ATOM 895 CD1 LEU A 59 -0.342 -9.961 9.134 1.00 0.00 C ATOM 896 CD2 LEU A 59 -0.748 -12.174 10.305 1.00 0.00 C ATOM 0 H LEU A 59 -0.369 -11.155 5.601 1.00 0.00 H new ATOM 0 HA LEU A 59 0.327 -13.351 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.547 -11.071 7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.044 -12.479 8.224 1.00 0.00 H new ATOM 0 HG LEU A 59 0.715 -11.778 8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.275 -9.655 9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.049 -9.515 8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.367 -9.625 9.292 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.123 -11.825 11.127 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.791 -11.935 10.515 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.638 -13.253 10.198 1.00 0.00 H new ATOM 908 N GLU A 60 -1.612 -13.895 4.954 1.00 0.00 N ATOM 909 CA GLU A 60 -2.452 -14.878 4.290 1.00 0.00 C ATOM 910 C GLU A 60 -1.594 -15.830 3.454 1.00 0.00 C ATOM 911 O GLU A 60 -1.717 -17.048 3.572 1.00 0.00 O ATOM 912 CB GLU A 60 -3.515 -14.197 3.427 1.00 0.00 C ATOM 913 CG GLU A 60 -4.574 -13.516 4.296 1.00 0.00 C ATOM 914 CD GLU A 60 -5.927 -14.219 4.163 1.00 0.00 C ATOM 915 OE1 GLU A 60 -6.399 -14.327 3.011 1.00 0.00 O ATOM 916 OE2 GLU A 60 -6.458 -14.632 5.216 1.00 0.00 O ATOM 0 H GLU A 60 -1.232 -13.174 4.340 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.969 -15.460 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.043 -13.459 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.990 -14.934 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.256 -13.526 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.673 -12.471 4.003 1.00 0.00 H new ATOM 923 N VAL A 61 -0.745 -15.238 2.627 1.00 0.00 N ATOM 924 CA VAL A 61 0.133 -16.018 1.771 1.00 0.00 C ATOM 925 C VAL A 61 0.798 -17.120 2.599 1.00 0.00 C ATOM 926 O VAL A 61 1.186 -18.157 2.062 1.00 0.00 O ATOM 927 CB VAL A 61 1.142 -15.099 1.079 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.525 -15.750 1.019 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.659 -14.708 -0.319 1.00 0.00 C ATOM 0 H VAL A 61 -0.646 -14.227 2.531 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.438 -16.505 0.980 1.00 0.00 H new ATOM 0 HB VAL A 61 1.226 -14.188 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.223 -15.076 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.875 -15.954 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.463 -16.684 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.394 -14.055 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.532 -15.606 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.294 -14.185 -0.242 1.00 0.00 H new ATOM 939 N ARG A 62 0.909 -16.859 3.893 1.00 0.00 N ATOM 940 CA ARG A 62 1.520 -17.815 4.800 1.00 0.00 C ATOM 941 C ARG A 62 0.731 -19.126 4.800 1.00 0.00 C ATOM 942 O ARG A 62 1.309 -20.203 4.934 1.00 0.00 O ATOM 943 CB ARG A 62 1.577 -17.263 6.226 1.00 0.00 C ATOM 944 CG ARG A 62 3.021 -17.185 6.725 1.00 0.00 C ATOM 945 CD ARG A 62 3.196 -16.036 7.720 1.00 0.00 C ATOM 946 NE ARG A 62 3.355 -16.572 9.090 1.00 0.00 N ATOM 947 CZ ARG A 62 2.335 -16.964 9.867 1.00 0.00 C ATOM 948 NH1 ARG A 62 1.077 -16.882 9.413 1.00 0.00 N ATOM 949 NH2 ARG A 62 2.574 -17.438 11.097 1.00 0.00 N ATOM 0 H ARG A 62 0.586 -15.998 4.335 1.00 0.00 H new ATOM 0 HA ARG A 62 2.537 -17.998 4.452 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.124 -16.272 6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.993 -17.900 6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.297 -18.127 7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.695 -17.045 5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.068 -15.440 7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.332 -15.373 7.678 1.00 0.00 H new ATOM 0 HE ARG A 62 4.300 -16.648 9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.895 -16.521 8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.301 -17.180 10.004 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.532 -17.501 11.442 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.798 -17.736 11.688 1.00 0.00 H new ATOM 963 N GLU A 63 -0.579 -18.991 4.647 1.00 0.00 N ATOM 964 CA GLU A 63 -1.453 -20.151 4.627 1.00 0.00 C ATOM 965 C GLU A 63 -1.438 -20.804 3.244 1.00 0.00 C ATOM 966 O GLU A 63 -1.730 -21.992 3.111 1.00 0.00 O ATOM 967 CB GLU A 63 -2.877 -19.772 5.039 1.00 0.00 C ATOM 968 CG GLU A 63 -3.685 -19.286 3.833 1.00 0.00 C ATOM 969 CD GLU A 63 -4.834 -18.377 4.274 1.00 0.00 C ATOM 970 OE1 GLU A 63 -4.634 -17.654 5.273 1.00 0.00 O ATOM 971 OE2 GLU A 63 -5.886 -18.425 3.600 1.00 0.00 O ATOM 0 H GLU A 63 -1.055 -18.096 4.536 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.080 -20.874 5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.371 -20.633 5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.844 -18.991 5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.032 -18.746 3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.082 -20.142 3.288 1.00 0.00 H new ATOM 978 N ILE A 64 -1.093 -20.000 2.249 1.00 0.00 N ATOM 979 CA ILE A 64 -1.036 -20.485 0.880 1.00 0.00 C ATOM 980 C ILE A 64 0.027 -21.580 0.776 1.00 0.00 C ATOM 981 O ILE A 64 1.075 -21.496 1.414 1.00 0.00 O ATOM 982 CB ILE A 64 -0.819 -19.323 -0.091 1.00 0.00 C ATOM 983 CG1 ILE A 64 -2.026 -18.383 -0.100 1.00 0.00 C ATOM 984 CG2 ILE A 64 -0.481 -19.836 -1.493 1.00 0.00 C ATOM 985 CD1 ILE A 64 -2.039 -17.519 -1.363 1.00 0.00 C ATOM 0 H ILE A 64 -0.850 -19.016 2.363 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.987 -20.935 0.595 1.00 0.00 H new ATOM 0 HB ILE A 64 0.037 -18.744 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.946 -18.966 -0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.000 -17.743 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.332 -18.990 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.431 -20.432 -1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.301 -20.452 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.907 -16.860 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.129 -16.920 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.090 -18.161 -2.242 1.00 0.00 H new ATOM 997 N PRO A 65 -0.288 -22.610 -0.054 1.00 0.00 N ATOM 998 CA PRO A 65 0.627 -23.721 -0.250 1.00 0.00 C ATOM 999 C PRO A 65 1.800 -23.314 -1.144 1.00 0.00 C ATOM 1000 O PRO A 65 1.744 -22.286 -1.818 1.00 0.00 O ATOM 1001 CB PRO A 65 -0.221 -24.829 -0.852 1.00 0.00 C ATOM 1002 CG PRO A 65 -1.466 -24.150 -1.400 1.00 0.00 C ATOM 1003 CD PRO A 65 -1.521 -22.744 -0.826 1.00 0.00 C ATOM 0 HA PRO A 65 1.090 -24.053 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.320 -25.349 -1.642 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.481 -25.574 -0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.435 -24.117 -2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.359 -24.710 -1.124 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.577 -21.996 -1.616 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.400 -22.608 -0.196 1.00 0.00 H new ATOM 1011 N PRO A 66 2.862 -24.163 -1.122 1.00 0.00 N ATOM 1012 CA PRO A 66 4.046 -23.902 -1.922 1.00 0.00 C ATOM 1013 C PRO A 66 3.788 -24.208 -3.399 1.00 0.00 C ATOM 1014 O PRO A 66 4.686 -24.077 -4.230 1.00 0.00 O ATOM 1015 CB PRO A 66 5.132 -24.776 -1.315 1.00 0.00 C ATOM 1016 CG PRO A 66 4.407 -25.835 -0.500 1.00 0.00 C ATOM 1017 CD PRO A 66 2.963 -25.390 -0.337 1.00 0.00 C ATOM 0 HA PRO A 66 4.342 -22.853 -1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.745 -25.233 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.800 -24.188 -0.686 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.454 -26.801 -1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.881 -25.958 0.474 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.271 -26.150 -0.700 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.720 -25.211 0.710 1.00 0.00 H new ATOM 1025 N GLN A 67 2.558 -24.611 -3.681 1.00 0.00 N ATOM 1026 CA GLN A 67 2.171 -24.937 -5.043 1.00 0.00 C ATOM 1027 C GLN A 67 1.392 -23.776 -5.665 1.00 0.00 C ATOM 1028 O GLN A 67 1.195 -23.737 -6.879 1.00 0.00 O ATOM 1029 CB GLN A 67 1.355 -26.231 -5.086 1.00 0.00 C ATOM 1030 CG GLN A 67 0.220 -26.198 -4.060 1.00 0.00 C ATOM 1031 CD GLN A 67 -1.039 -26.867 -4.615 1.00 0.00 C ATOM 1032 OE1 GLN A 67 -1.647 -26.412 -5.570 1.00 0.00 O ATOM 1033 NE2 GLN A 67 -1.397 -27.970 -3.964 1.00 0.00 N ATOM 0 H GLN A 67 1.816 -24.719 -2.989 1.00 0.00 H new ATOM 0 HA GLN A 67 3.076 -25.097 -5.629 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.943 -26.372 -6.085 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.006 -27.082 -4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.534 -26.706 -3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.001 -25.165 -3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.844 -28.297 -3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.225 -28.489 -4.257 1.00 0.00 H new ATOM 1042 N SER A 68 0.970 -22.860 -4.806 1.00 0.00 N ATOM 1043 CA SER A 68 0.217 -21.702 -5.257 1.00 0.00 C ATOM 1044 C SER A 68 0.926 -20.417 -4.825 1.00 0.00 C ATOM 1045 O SER A 68 0.394 -19.322 -4.999 1.00 0.00 O ATOM 1046 CB SER A 68 -1.213 -21.728 -4.712 1.00 0.00 C ATOM 1047 OG SER A 68 -1.995 -20.648 -5.213 1.00 0.00 O ATOM 0 H SER A 68 1.135 -22.896 -3.800 1.00 0.00 H new ATOM 0 HA SER A 68 0.163 -21.732 -6.345 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.686 -22.673 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.187 -21.682 -3.623 1.00 0.00 H new ATOM 0 HG SER A 68 -1.470 -19.821 -5.179 1.00 0.00 H new ATOM 1053 N ARG A 69 2.117 -20.593 -4.271 1.00 0.00 N ATOM 1054 CA ARG A 69 2.904 -19.461 -3.814 1.00 0.00 C ATOM 1055 C ARG A 69 3.972 -19.104 -4.850 1.00 0.00 C ATOM 1056 O ARG A 69 5.111 -18.805 -4.495 1.00 0.00 O ATOM 1057 CB ARG A 69 3.582 -19.766 -2.477 1.00 0.00 C ATOM 1058 CG ARG A 69 3.241 -18.701 -1.433 1.00 0.00 C ATOM 1059 CD ARG A 69 4.263 -18.702 -0.294 1.00 0.00 C ATOM 1060 NE ARG A 69 4.847 -17.352 -0.137 1.00 0.00 N ATOM 1061 CZ ARG A 69 5.435 -16.913 0.985 1.00 0.00 C ATOM 1062 NH1 ARG A 69 5.520 -17.716 2.055 1.00 0.00 N ATOM 1063 NH2 ARG A 69 5.938 -15.672 1.038 1.00 0.00 N ATOM 0 H ARG A 69 2.556 -21.503 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 69 2.226 -18.618 -3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.264 -20.745 -2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.662 -19.812 -2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.218 -17.719 -1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.244 -18.886 -1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.784 -19.010 0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.051 -19.426 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 69 4.799 -16.715 -0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.137 -18.661 2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.967 -17.382 2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.874 -15.060 0.224 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.385 -15.339 1.892 1.00 0.00 H new ATOM 1077 N GLY A 70 3.566 -19.146 -6.110 1.00 0.00 N ATOM 1078 CA GLY A 70 4.473 -18.831 -7.200 1.00 0.00 C ATOM 1079 C GLY A 70 4.553 -17.320 -7.427 1.00 0.00 C ATOM 1080 O GLY A 70 5.613 -16.718 -7.256 1.00 0.00 O ATOM 0 H GLY A 70 2.620 -19.394 -6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.466 -19.222 -6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.135 -19.322 -8.113 1.00 0.00 H new ATOM 1084 N MET A 71 3.420 -16.750 -7.809 1.00 0.00 N ATOM 1085 CA MET A 71 3.349 -15.321 -8.061 1.00 0.00 C ATOM 1086 C MET A 71 3.295 -14.535 -6.749 1.00 0.00 C ATOM 1087 O MET A 71 4.166 -13.709 -6.480 1.00 0.00 O ATOM 1088 CB MET A 71 2.103 -15.011 -8.893 1.00 0.00 C ATOM 1089 CG MET A 71 2.485 -14.569 -10.308 1.00 0.00 C ATOM 1090 SD MET A 71 2.148 -12.828 -10.515 1.00 0.00 S ATOM 1091 CE MET A 71 0.596 -12.916 -11.393 1.00 0.00 C ATOM 0 H MET A 71 2.543 -17.252 -7.950 1.00 0.00 H new ATOM 0 HA MET A 71 4.245 -15.022 -8.606 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.466 -15.894 -8.943 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.523 -14.227 -8.407 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.542 -14.767 -10.487 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.924 -15.146 -11.042 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.240 -11.908 -11.604 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.738 -13.454 -12.330 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.139 -13.440 -10.782 1.00 0.00 H new ATOM 1101 N TYR A 72 2.263 -14.820 -5.968 1.00 0.00 N ATOM 1102 CA TYR A 72 2.085 -14.150 -4.691 1.00 0.00 C ATOM 1103 C TYR A 72 3.433 -13.869 -4.025 1.00 0.00 C ATOM 1104 O TYR A 72 3.601 -12.847 -3.361 1.00 0.00 O ATOM 1105 CB TYR A 72 1.289 -15.119 -3.814 1.00 0.00 C ATOM 1106 CG TYR A 72 0.069 -14.489 -3.139 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.166 -13.237 -2.568 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -1.129 -15.173 -3.102 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.982 -12.644 -1.932 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -2.278 -14.581 -2.467 1.00 0.00 C ATOM 1111 CZ TYR A 72 -2.148 -13.345 -1.913 1.00 0.00 C ATOM 1112 OH TYR A 72 -3.232 -12.785 -1.314 1.00 0.00 O ATOM 0 H TYR A 72 1.542 -15.505 -6.195 1.00 0.00 H new ATOM 0 HA TYR A 72 1.578 -13.195 -4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.960 -15.959 -4.425 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.948 -15.523 -3.046 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.103 -12.701 -2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.205 -16.153 -3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.919 -11.665 -1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.221 -15.106 -2.431 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.994 -13.398 -1.377 1.00 0.00 H new ATOM 1122 N SER A 73 4.360 -14.794 -4.226 1.00 0.00 N ATOM 1123 CA SER A 73 5.689 -14.658 -3.654 1.00 0.00 C ATOM 1124 C SER A 73 6.447 -13.527 -4.352 1.00 0.00 C ATOM 1125 O SER A 73 6.798 -12.530 -3.723 1.00 0.00 O ATOM 1126 CB SER A 73 6.472 -15.968 -3.763 1.00 0.00 C ATOM 1127 OG SER A 73 7.208 -16.251 -2.576 1.00 0.00 O ATOM 0 H SER A 73 4.217 -15.640 -4.777 1.00 0.00 H new ATOM 0 HA SER A 73 5.583 -14.416 -2.596 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.782 -16.787 -3.965 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.157 -15.912 -4.609 1.00 0.00 H new ATOM 0 HG SER A 73 7.693 -17.096 -2.685 1.00 0.00 H new ATOM 1133 N ASN A 74 6.677 -13.720 -5.643 1.00 0.00 N ATOM 1134 CA ASN A 74 7.386 -12.728 -6.433 1.00 0.00 C ATOM 1135 C ASN A 74 6.641 -11.394 -6.358 1.00 0.00 C ATOM 1136 O ASN A 74 7.261 -10.337 -6.266 1.00 0.00 O ATOM 1137 CB ASN A 74 7.461 -13.147 -7.903 1.00 0.00 C ATOM 1138 CG ASN A 74 7.899 -11.975 -8.784 1.00 0.00 C ATOM 1139 OD1 ASN A 74 8.792 -11.213 -8.451 1.00 0.00 O ATOM 1140 ND2 ASN A 74 7.223 -11.874 -9.925 1.00 0.00 N ATOM 0 H ASN A 74 6.385 -14.549 -6.161 1.00 0.00 H new ATOM 0 HA ASN A 74 8.395 -12.636 -6.032 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.163 -13.973 -8.014 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.487 -13.510 -8.232 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.441 -11.125 -10.582 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.487 -12.546 -10.143 1.00 0.00 H new ATOM 1147 N ARG A 75 5.320 -11.488 -6.401 1.00 0.00 N ATOM 1148 CA ARG A 75 4.483 -10.302 -6.339 1.00 0.00 C ATOM 1149 C ARG A 75 4.706 -9.563 -5.018 1.00 0.00 C ATOM 1150 O ARG A 75 4.885 -8.346 -5.006 1.00 0.00 O ATOM 1151 CB ARG A 75 3.002 -10.665 -6.468 1.00 0.00 C ATOM 1152 CG ARG A 75 2.459 -10.270 -7.843 1.00 0.00 C ATOM 1153 CD ARG A 75 2.525 -8.755 -8.045 1.00 0.00 C ATOM 1154 NE ARG A 75 3.106 -8.446 -9.370 1.00 0.00 N ATOM 1155 CZ ARG A 75 2.458 -8.611 -10.531 1.00 0.00 C ATOM 1156 NH1 ARG A 75 1.204 -9.084 -10.537 1.00 0.00 N ATOM 1157 NH2 ARG A 75 3.064 -8.304 -11.687 1.00 0.00 N ATOM 0 H ARG A 75 4.809 -12.367 -6.478 1.00 0.00 H new ATOM 0 HA ARG A 75 4.761 -9.657 -7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.872 -11.736 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.431 -10.160 -5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.035 -10.770 -8.622 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.428 -10.609 -7.942 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.526 -8.326 -7.968 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.129 -8.301 -7.259 1.00 0.00 H new ATOM 0 HE ARG A 75 4.059 -8.085 -9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.743 -9.318 -9.658 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.711 -9.210 -11.421 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.019 -7.945 -11.683 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.570 -8.430 -12.571 1.00 0.00 H new ATOM 1171 N MET A 76 4.689 -10.329 -3.938 1.00 0.00 N ATOM 1172 CA MET A 76 4.888 -9.763 -2.615 1.00 0.00 C ATOM 1173 C MET A 76 6.154 -8.904 -2.570 1.00 0.00 C ATOM 1174 O MET A 76 6.199 -7.894 -1.869 1.00 0.00 O ATOM 1175 CB MET A 76 5.000 -10.891 -1.587 1.00 0.00 C ATOM 1176 CG MET A 76 3.644 -11.177 -0.938 1.00 0.00 C ATOM 1177 SD MET A 76 3.611 -10.519 0.721 1.00 0.00 S ATOM 1178 CE MET A 76 2.001 -9.749 0.717 1.00 0.00 C ATOM 0 H MET A 76 4.540 -11.338 -3.952 1.00 0.00 H new ATOM 0 HA MET A 76 4.033 -9.129 -2.380 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.373 -11.793 -2.071 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.724 -10.618 -0.820 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.846 -10.730 -1.531 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.461 -12.251 -0.916 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.853 -9.210 1.653 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.933 -9.051 -0.118 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.232 -10.514 0.613 1.00 0.00 H new ATOM 1188 N ARG A 77 7.151 -9.337 -3.327 1.00 0.00 N ATOM 1189 CA ARG A 77 8.414 -8.621 -3.383 1.00 0.00 C ATOM 1190 C ARG A 77 8.267 -7.351 -4.224 1.00 0.00 C ATOM 1191 O ARG A 77 9.134 -6.479 -4.193 1.00 0.00 O ATOM 1192 CB ARG A 77 9.517 -9.496 -3.982 1.00 0.00 C ATOM 1193 CG ARG A 77 10.462 -10.008 -2.893 1.00 0.00 C ATOM 1194 CD ARG A 77 11.747 -9.179 -2.848 1.00 0.00 C ATOM 1195 NE ARG A 77 12.395 -9.177 -4.179 1.00 0.00 N ATOM 1196 CZ ARG A 77 13.500 -8.480 -4.476 1.00 0.00 C ATOM 1197 NH1 ARG A 77 14.088 -7.726 -3.538 1.00 0.00 N ATOM 1198 NH2 ARG A 77 14.018 -8.538 -5.711 1.00 0.00 N ATOM 0 H ARG A 77 7.110 -10.175 -3.907 1.00 0.00 H new ATOM 0 HA ARG A 77 8.690 -8.356 -2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 77 9.071 -10.340 -4.508 1.00 0.00 H new ATOM 0 HB3 ARG A 77 10.081 -8.923 -4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.964 -9.966 -1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 77 10.706 -11.054 -3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 77 11.520 -8.157 -2.543 1.00 0.00 H new ATOM 0 HD3 ARG A 77 12.429 -9.590 -2.103 1.00 0.00 H new ATOM 0 HE ARG A 77 11.974 -9.742 -4.916 1.00 0.00 H new ATOM 0 HH11 ARG A 77 13.695 -7.683 -2.598 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.929 -7.195 -3.764 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.571 -9.113 -6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.859 -8.007 -5.937 1.00 0.00 H new ATOM 1212 N SER A 78 7.164 -7.288 -4.956 1.00 0.00 N ATOM 1213 CA SER A 78 6.893 -6.140 -5.804 1.00 0.00 C ATOM 1214 C SER A 78 5.979 -5.155 -5.073 1.00 0.00 C ATOM 1215 O SER A 78 6.307 -3.976 -4.944 1.00 0.00 O ATOM 1216 CB SER A 78 6.260 -6.570 -7.128 1.00 0.00 C ATOM 1217 OG SER A 78 7.181 -6.489 -8.212 1.00 0.00 O ATOM 0 H SER A 78 6.448 -8.014 -4.979 1.00 0.00 H new ATOM 0 HA SER A 78 7.840 -5.649 -6.029 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.894 -7.593 -7.039 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.396 -5.939 -7.338 1.00 0.00 H new ATOM 0 HG SER A 78 6.739 -6.774 -9.039 1.00 0.00 H new ATOM 1223 N TYR A 79 4.849 -5.674 -4.615 1.00 0.00 N ATOM 1224 CA TYR A 79 3.885 -4.854 -3.901 1.00 0.00 C ATOM 1225 C TYR A 79 4.581 -3.950 -2.882 1.00 0.00 C ATOM 1226 O TYR A 79 4.284 -2.759 -2.798 1.00 0.00 O ATOM 1227 CB TYR A 79 2.971 -5.830 -3.157 1.00 0.00 C ATOM 1228 CG TYR A 79 2.046 -6.636 -4.071 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.489 -6.042 -5.186 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.768 -7.957 -3.782 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.618 -6.801 -6.046 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.898 -8.715 -4.642 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.366 -8.100 -5.732 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.457 -8.816 -6.545 1.00 0.00 O ATOM 0 H TYR A 79 4.580 -6.652 -4.724 1.00 0.00 H new ATOM 0 HA TYR A 79 3.339 -4.214 -4.594 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.587 -6.520 -2.580 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.364 -5.272 -2.444 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.706 -5.009 -5.413 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.204 -8.422 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.175 -6.349 -6.921 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.673 -9.749 -4.427 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.197 -9.761 -6.523 1.00 0.00 H new ATOM 1244 N LYS A 80 5.495 -4.550 -2.133 1.00 0.00 N ATOM 1245 CA LYS A 80 6.236 -3.813 -1.124 1.00 0.00 C ATOM 1246 C LYS A 80 7.026 -2.689 -1.796 1.00 0.00 C ATOM 1247 O LYS A 80 7.119 -1.585 -1.262 1.00 0.00 O ATOM 1248 CB LYS A 80 7.103 -4.764 -0.296 1.00 0.00 C ATOM 1249 CG LYS A 80 6.239 -5.670 0.583 1.00 0.00 C ATOM 1250 CD LYS A 80 6.898 -7.037 0.778 1.00 0.00 C ATOM 1251 CE LYS A 80 5.854 -8.108 1.099 1.00 0.00 C ATOM 1252 NZ LYS A 80 5.628 -8.190 2.559 1.00 0.00 N ATOM 0 H LYS A 80 5.739 -5.538 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 80 5.552 -3.343 -0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.716 -5.373 -0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.785 -4.188 0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.080 -5.198 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.258 -5.797 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.443 -7.314 -0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.627 -6.981 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.917 -7.875 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.188 -9.075 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.410 -9.172 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.484 -7.879 3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.831 -7.576 2.822 1.00 0.00 H new ATOM 1266 N GLN A 81 7.576 -3.008 -2.958 1.00 0.00 N ATOM 1267 CA GLN A 81 8.355 -2.038 -3.709 1.00 0.00 C ATOM 1268 C GLN A 81 7.460 -0.891 -4.184 1.00 0.00 C ATOM 1269 O GLN A 81 7.791 0.278 -3.994 1.00 0.00 O ATOM 1270 CB GLN A 81 9.066 -2.703 -4.890 1.00 0.00 C ATOM 1271 CG GLN A 81 10.466 -3.175 -4.491 1.00 0.00 C ATOM 1272 CD GLN A 81 11.530 -2.164 -4.924 1.00 0.00 C ATOM 1273 OE1 GLN A 81 11.244 -1.021 -5.242 1.00 0.00 O ATOM 1274 NE2 GLN A 81 12.769 -2.647 -4.919 1.00 0.00 N ATOM 0 H GLN A 81 7.498 -3.925 -3.398 1.00 0.00 H new ATOM 0 HA GLN A 81 9.120 -1.627 -3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.479 -3.551 -5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.138 -1.999 -5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.512 -3.317 -3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.671 -4.143 -4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.938 -3.614 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.550 -2.051 -5.193 1.00 0.00 H new ATOM 1283 N GLU A 82 6.344 -1.266 -4.791 1.00 0.00 N ATOM 1284 CA GLU A 82 5.399 -0.283 -5.293 1.00 0.00 C ATOM 1285 C GLU A 82 4.926 0.627 -4.158 1.00 0.00 C ATOM 1286 O GLU A 82 4.964 1.850 -4.282 1.00 0.00 O ATOM 1287 CB GLU A 82 4.213 -0.964 -5.981 1.00 0.00 C ATOM 1288 CG GLU A 82 3.186 0.068 -6.451 1.00 0.00 C ATOM 1289 CD GLU A 82 3.628 0.724 -7.761 1.00 0.00 C ATOM 1290 OE1 GLU A 82 4.814 1.113 -7.829 1.00 0.00 O ATOM 1291 OE2 GLU A 82 2.770 0.821 -8.665 1.00 0.00 O ATOM 0 H GLU A 82 6.073 -2.237 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 82 5.905 0.331 -6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.567 -1.545 -6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.741 -1.664 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.218 -0.414 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.055 0.831 -5.684 1.00 0.00 H new ATOM 1298 N MET A 83 4.491 -0.005 -3.078 1.00 0.00 N ATOM 1299 CA MET A 83 4.011 0.733 -1.922 1.00 0.00 C ATOM 1300 C MET A 83 5.114 1.621 -1.342 1.00 0.00 C ATOM 1301 O MET A 83 5.012 2.846 -1.378 1.00 0.00 O ATOM 1302 CB MET A 83 3.531 -0.250 -0.852 1.00 0.00 C ATOM 1303 CG MET A 83 2.047 -0.043 -0.544 1.00 0.00 C ATOM 1304 SD MET A 83 1.725 1.683 -0.221 1.00 0.00 S ATOM 1305 CE MET A 83 2.188 1.768 1.501 1.00 0.00 C ATOM 0 H MET A 83 4.461 -1.020 -2.979 1.00 0.00 H new ATOM 0 HA MET A 83 3.186 1.371 -2.238 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.696 -1.272 -1.192 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.117 -0.118 0.058 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.442 -0.383 -1.384 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.759 -0.643 0.319 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.296 1.911 2.111 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.682 0.841 1.791 1.00 0.00 H new ATOM 0 HE3 MET A 83 2.870 2.605 1.654 1.00 0.00 H new ATOM 1315 N GLY A 84 6.142 0.968 -0.821 1.00 0.00 N ATOM 1316 CA GLY A 84 7.263 1.683 -0.234 1.00 0.00 C ATOM 1317 C GLY A 84 7.672 2.871 -1.106 1.00 0.00 C ATOM 1318 O GLY A 84 8.114 3.899 -0.594 1.00 0.00 O ATOM 0 H GLY A 84 6.223 -0.048 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.994 2.034 0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.109 1.006 -0.115 1.00 0.00 H new ATOM 1322 N LYS A 85 7.511 2.692 -2.409 1.00 0.00 N ATOM 1323 CA LYS A 85 7.859 3.736 -3.358 1.00 0.00 C ATOM 1324 C LYS A 85 6.910 4.922 -3.174 1.00 0.00 C ATOM 1325 O LYS A 85 7.344 6.073 -3.168 1.00 0.00 O ATOM 1326 CB LYS A 85 7.879 3.180 -4.783 1.00 0.00 C ATOM 1327 CG LYS A 85 8.326 4.249 -5.782 1.00 0.00 C ATOM 1328 CD LYS A 85 9.282 3.661 -6.822 1.00 0.00 C ATOM 1329 CE LYS A 85 9.125 4.367 -8.171 1.00 0.00 C ATOM 1330 NZ LYS A 85 9.982 3.726 -9.194 1.00 0.00 N ATOM 0 H LYS A 85 7.144 1.839 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 85 8.868 4.102 -3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.553 2.325 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.886 2.820 -5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.455 4.672 -6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.817 5.065 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.310 3.759 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.086 2.595 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.083 4.332 -8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.393 5.419 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.864 4.217 -10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.977 3.782 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.708 2.728 -9.301 1.00 0.00 H new ATOM 1344 N LEU A 86 5.633 4.601 -3.027 1.00 0.00 N ATOM 1345 CA LEU A 86 4.620 5.626 -2.844 1.00 0.00 C ATOM 1346 C LEU A 86 5.045 6.560 -1.709 1.00 0.00 C ATOM 1347 O LEU A 86 4.802 7.764 -1.768 1.00 0.00 O ATOM 1348 CB LEU A 86 3.245 4.988 -2.632 1.00 0.00 C ATOM 1349 CG LEU A 86 2.535 4.493 -3.893 1.00 0.00 C ATOM 1350 CD1 LEU A 86 1.285 5.327 -4.182 1.00 0.00 C ATOM 1351 CD2 LEU A 86 3.492 4.464 -5.087 1.00 0.00 C ATOM 0 H LEU A 86 5.277 3.645 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 86 4.529 6.236 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.358 4.147 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.601 5.716 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 86 2.206 3.468 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.799 4.954 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.596 5.253 -3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.569 6.369 -4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.961 4.108 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.873 5.468 -5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.324 3.795 -4.870 1.00 0.00 H new ATOM 1363 N GLU A 87 5.673 5.969 -0.703 1.00 0.00 N ATOM 1364 CA GLU A 87 6.135 6.734 0.443 1.00 0.00 C ATOM 1365 C GLU A 87 7.151 7.790 0.003 1.00 0.00 C ATOM 1366 O GLU A 87 7.323 8.808 0.672 1.00 0.00 O ATOM 1367 CB GLU A 87 6.728 5.814 1.513 1.00 0.00 C ATOM 1368 CG GLU A 87 5.636 4.983 2.189 1.00 0.00 C ATOM 1369 CD GLU A 87 6.198 4.204 3.380 1.00 0.00 C ATOM 1370 OE1 GLU A 87 7.009 4.804 4.118 1.00 0.00 O ATOM 1371 OE2 GLU A 87 5.804 3.027 3.525 1.00 0.00 O ATOM 0 H GLU A 87 5.873 4.970 -0.658 1.00 0.00 H new ATOM 0 HA GLU A 87 5.279 7.245 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.466 5.152 1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.251 6.410 2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.832 5.637 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.203 4.290 1.468 1.00 0.00 H new ATOM 1378 N THR A 88 7.797 7.511 -1.120 1.00 0.00 N ATOM 1379 CA THR A 88 8.792 8.424 -1.657 1.00 0.00 C ATOM 1380 C THR A 88 8.133 9.438 -2.595 1.00 0.00 C ATOM 1381 O THR A 88 8.158 10.639 -2.332 1.00 0.00 O ATOM 1382 CB THR A 88 9.883 7.591 -2.333 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.787 7.280 -1.276 1.00 0.00 O ATOM 1384 CG2 THR A 88 10.723 8.411 -3.314 1.00 0.00 C ATOM 0 H THR A 88 7.651 6.666 -1.672 1.00 0.00 H new ATOM 0 HA THR A 88 9.256 9.013 -0.866 1.00 0.00 H new ATOM 0 HB THR A 88 9.426 6.753 -2.860 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.526 6.739 -1.626 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.482 7.772 -3.766 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.079 8.816 -4.094 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.208 9.230 -2.782 1.00 0.00 H new ATOM 1392 N ASP A 89 7.560 8.916 -3.669 1.00 0.00 N ATOM 1393 CA ASP A 89 6.895 9.761 -4.648 1.00 0.00 C ATOM 1394 C ASP A 89 5.946 10.720 -3.926 1.00 0.00 C ATOM 1395 O ASP A 89 5.733 11.844 -4.378 1.00 0.00 O ATOM 1396 CB ASP A 89 6.068 8.924 -5.626 1.00 0.00 C ATOM 1397 CG ASP A 89 6.301 9.242 -7.105 1.00 0.00 C ATOM 1398 OD1 ASP A 89 7.467 9.117 -7.536 1.00 0.00 O ATOM 1399 OD2 ASP A 89 5.306 9.602 -7.771 1.00 0.00 O ATOM 0 H ASP A 89 7.542 7.919 -3.884 1.00 0.00 H new ATOM 0 HA ASP A 89 7.661 10.307 -5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.290 7.870 -5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.011 9.068 -5.401 1.00 0.00 H new ATOM 1404 N PHE A 90 5.403 10.241 -2.817 1.00 0.00 N ATOM 1405 CA PHE A 90 4.481 11.042 -2.029 1.00 0.00 C ATOM 1406 C PHE A 90 5.209 12.202 -1.346 1.00 0.00 C ATOM 1407 O PHE A 90 4.678 13.307 -1.259 1.00 0.00 O ATOM 1408 CB PHE A 90 3.893 10.122 -0.957 1.00 0.00 C ATOM 1409 CG PHE A 90 3.092 10.856 0.121 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.346 11.944 -0.209 1.00 0.00 C ATOM 1411 CD2 PHE A 90 3.126 10.419 1.408 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.602 12.624 0.791 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.382 11.100 2.408 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.636 12.188 2.078 1.00 0.00 C ATOM 0 H PHE A 90 5.583 9.309 -2.445 1.00 0.00 H new ATOM 0 HA PHE A 90 3.708 11.462 -2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.247 9.387 -1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.704 9.571 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.319 12.291 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.718 9.555 1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.009 13.488 0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.409 10.754 3.431 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.070 12.706 2.839 1.00 0.00 H new ATOM 1424 N LYS A 91 6.415 11.909 -0.880 1.00 0.00 N ATOM 1425 CA LYS A 91 7.221 12.914 -0.207 1.00 0.00 C ATOM 1426 C LYS A 91 7.923 13.782 -1.253 1.00 0.00 C ATOM 1427 O LYS A 91 8.152 14.969 -1.027 1.00 0.00 O ATOM 1428 CB LYS A 91 8.178 12.255 0.788 1.00 0.00 C ATOM 1429 CG LYS A 91 9.499 13.022 0.869 1.00 0.00 C ATOM 1430 CD LYS A 91 10.526 12.259 1.708 1.00 0.00 C ATOM 1431 CE LYS A 91 11.952 12.589 1.262 1.00 0.00 C ATOM 1432 NZ LYS A 91 12.928 11.731 1.970 1.00 0.00 N ATOM 0 H LYS A 91 6.853 10.991 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 91 6.589 13.576 0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.714 12.218 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.369 11.225 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.892 13.183 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.326 14.006 1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.402 12.513 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.351 11.187 1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.045 12.444 0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.168 13.638 1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.891 11.968 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.850 11.889 2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.730 10.732 1.758 1.00 0.00 H new ATOM 1446 N ARG A 92 8.245 13.156 -2.376 1.00 0.00 N ATOM 1447 CA ARG A 92 8.917 13.856 -3.457 1.00 0.00 C ATOM 1448 C ARG A 92 7.903 14.647 -4.287 1.00 0.00 C ATOM 1449 O ARG A 92 8.255 15.229 -5.312 1.00 0.00 O ATOM 1450 CB ARG A 92 9.660 12.878 -4.369 1.00 0.00 C ATOM 1451 CG ARG A 92 10.905 12.320 -3.676 1.00 0.00 C ATOM 1452 CD ARG A 92 11.598 11.275 -4.552 1.00 0.00 C ATOM 1453 NE ARG A 92 12.394 11.945 -5.605 1.00 0.00 N ATOM 1454 CZ ARG A 92 13.308 11.326 -6.365 1.00 0.00 C ATOM 1455 NH1 ARG A 92 13.548 10.019 -6.193 1.00 0.00 N ATOM 1456 NH2 ARG A 92 13.982 12.014 -7.296 1.00 0.00 N ATOM 0 H ARG A 92 8.053 12.171 -2.560 1.00 0.00 H new ATOM 0 HA ARG A 92 9.640 14.539 -3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.997 12.059 -4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.948 13.382 -5.291 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.598 13.132 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.625 11.872 -2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.245 10.647 -3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.855 10.620 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 92 12.237 12.941 -5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.035 9.495 -5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.244 9.548 -6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.800 13.009 -7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.678 11.543 -7.874 1.00 0.00 H new ATOM 1470 N SER A 93 6.666 14.643 -3.813 1.00 0.00 N ATOM 1471 CA SER A 93 5.600 15.352 -4.499 1.00 0.00 C ATOM 1472 C SER A 93 5.144 16.549 -3.661 1.00 0.00 C ATOM 1473 O SER A 93 4.951 17.643 -4.189 1.00 0.00 O ATOM 1474 CB SER A 93 4.417 14.425 -4.786 1.00 0.00 C ATOM 1475 OG SER A 93 4.486 13.861 -6.093 1.00 0.00 O ATOM 0 H SER A 93 6.378 14.160 -2.962 1.00 0.00 H new ATOM 0 HA SER A 93 5.987 15.710 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.396 13.625 -4.046 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.486 14.982 -4.680 1.00 0.00 H new ATOM 0 HG SER A 93 3.701 14.137 -6.610 1.00 0.00 H new ATOM 1481 N ARG A 94 4.986 16.300 -2.369 1.00 0.00 N ATOM 1482 CA ARG A 94 4.557 17.344 -1.453 1.00 0.00 C ATOM 1483 C ARG A 94 5.697 18.334 -1.206 1.00 0.00 C ATOM 1484 O ARG A 94 5.517 19.331 -0.508 1.00 0.00 O ATOM 1485 CB ARG A 94 4.107 16.752 -0.117 1.00 0.00 C ATOM 1486 CG ARG A 94 5.262 16.033 0.583 1.00 0.00 C ATOM 1487 CD ARG A 94 4.796 15.388 1.890 1.00 0.00 C ATOM 1488 NE ARG A 94 5.797 15.623 2.955 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.640 15.242 4.230 1.00 0.00 C ATOM 1490 NH1 ARG A 94 4.523 14.606 4.606 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.601 15.498 5.128 1.00 0.00 N ATOM 0 H ARG A 94 5.147 15.391 -1.935 1.00 0.00 H new ATOM 0 HA ARG A 94 3.714 17.862 -1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.725 17.545 0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.287 16.054 -0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.673 15.269 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.064 16.741 0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.833 15.803 2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.651 14.317 1.745 1.00 0.00 H new ATOM 0 HE ARG A 94 6.660 16.105 2.703 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.792 14.412 3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.403 14.316 5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.451 15.983 4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.482 15.208 6.099 1.00 0.00 H new ATOM 1505 N ILE A 95 6.844 18.026 -1.793 1.00 0.00 N ATOM 1506 CA ILE A 95 8.013 18.877 -1.645 1.00 0.00 C ATOM 1507 C ILE A 95 8.087 19.844 -2.828 1.00 0.00 C ATOM 1508 O ILE A 95 9.171 20.287 -3.205 1.00 0.00 O ATOM 1509 CB ILE A 95 9.273 18.029 -1.464 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.540 17.171 -2.703 1.00 0.00 C ATOM 1511 CG2 ILE A 95 9.189 17.185 -0.190 1.00 0.00 C ATOM 1512 CD1 ILE A 95 10.973 16.635 -2.701 1.00 0.00 C ATOM 0 H ILE A 95 6.989 17.199 -2.372 1.00 0.00 H new ATOM 0 HA ILE A 95 7.932 19.483 -0.742 1.00 0.00 H new ATOM 0 HB ILE A 95 10.123 18.702 -1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.837 16.339 -2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.371 17.763 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 95 10.098 16.592 -0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.082 17.840 0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.327 16.521 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.136 16.029 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.674 17.470 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.132 16.024 -1.812 1.00 0.00 H new ATOM 1524 N ALA A 96 6.920 20.143 -3.381 1.00 0.00 N ATOM 1525 CA ALA A 96 6.839 21.050 -4.513 1.00 0.00 C ATOM 1526 C ALA A 96 6.208 22.368 -4.061 1.00 0.00 C ATOM 1527 O ALA A 96 5.317 22.375 -3.214 1.00 0.00 O ATOM 1528 CB ALA A 96 6.053 20.385 -5.645 1.00 0.00 C ATOM 0 H ALA A 96 6.023 19.773 -3.066 1.00 0.00 H new ATOM 0 HA ALA A 96 7.834 21.276 -4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.992 21.065 -6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.559 19.469 -5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.047 20.146 -5.298 1.00 0.00 H new ATOM 1534 N SER A 97 6.696 23.452 -4.647 1.00 0.00 N ATOM 1535 CA SER A 97 6.191 24.773 -4.315 1.00 0.00 C ATOM 1536 C SER A 97 6.374 25.717 -5.505 1.00 0.00 C ATOM 1537 O SER A 97 5.415 26.335 -5.965 1.00 0.00 O ATOM 1538 CB SER A 97 6.893 25.337 -3.078 1.00 0.00 C ATOM 1539 OG SER A 97 5.969 25.889 -2.145 1.00 0.00 O ATOM 0 H SER A 97 7.436 23.442 -5.349 1.00 0.00 H new ATOM 0 HA SER A 97 5.129 24.685 -4.088 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.467 24.546 -2.595 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.603 26.106 -3.383 1.00 0.00 H new ATOM 0 HG SER A 97 6.456 26.237 -1.369 1.00 0.00 H new ATOM 1545 N GLY A 98 7.612 25.800 -5.970 1.00 0.00 N ATOM 1546 CA GLY A 98 7.933 26.658 -7.097 1.00 0.00 C ATOM 1547 C GLY A 98 8.534 25.849 -8.249 1.00 0.00 C ATOM 1548 O GLY A 98 8.552 24.620 -8.205 1.00 0.00 O ATOM 0 H GLY A 98 8.405 25.286 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.032 27.169 -7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.637 27.429 -6.783 1.00 0.00 H new ATOM 1552 N PRO A 99 9.024 26.591 -9.277 1.00 0.00 N ATOM 1553 CA PRO A 99 9.625 25.956 -10.438 1.00 0.00 C ATOM 1554 C PRO A 99 11.022 25.424 -10.111 1.00 0.00 C ATOM 1555 O PRO A 99 11.368 24.305 -10.486 1.00 0.00 O ATOM 1556 CB PRO A 99 9.636 27.031 -11.513 1.00 0.00 C ATOM 1557 CG PRO A 99 9.472 28.354 -10.781 1.00 0.00 C ATOM 1558 CD PRO A 99 9.020 28.049 -9.363 1.00 0.00 C ATOM 0 HA PRO A 99 9.068 25.081 -10.774 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.568 27.010 -12.077 1.00 0.00 H new ATOM 0 HB3 PRO A 99 8.827 26.877 -12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.413 28.904 -10.772 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.740 28.983 -11.288 1.00 0.00 H new ATOM 0 HD2 PRO A 99 9.694 28.491 -8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.027 28.454 -9.168 1.00 0.00 H new ATOM 1566 N SER A 100 11.787 26.252 -9.414 1.00 0.00 N ATOM 1567 CA SER A 100 13.138 25.879 -9.031 1.00 0.00 C ATOM 1568 C SER A 100 13.125 24.526 -8.316 1.00 0.00 C ATOM 1569 O SER A 100 12.343 24.318 -7.390 1.00 0.00 O ATOM 1570 CB SER A 100 13.772 26.946 -8.137 1.00 0.00 C ATOM 1571 OG SER A 100 14.888 27.573 -8.764 1.00 0.00 O ATOM 0 H SER A 100 11.497 27.180 -9.105 1.00 0.00 H new ATOM 0 HA SER A 100 13.740 25.798 -9.936 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.026 27.700 -7.887 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.091 26.491 -7.200 1.00 0.00 H new ATOM 0 HG SER A 100 15.264 28.249 -8.162 1.00 0.00 H new ATOM 1577 N SER A 101 14.000 23.642 -8.773 1.00 0.00 N ATOM 1578 CA SER A 101 14.099 22.316 -8.188 1.00 0.00 C ATOM 1579 C SER A 101 15.156 21.495 -8.929 1.00 0.00 C ATOM 1580 O SER A 101 16.133 21.049 -8.330 1.00 0.00 O ATOM 1581 CB SER A 101 12.748 21.597 -8.223 1.00 0.00 C ATOM 1582 OG SER A 101 12.203 21.548 -9.538 1.00 0.00 O ATOM 0 H SER A 101 14.647 23.818 -9.542 1.00 0.00 H new ATOM 0 HA SER A 101 14.397 22.423 -7.145 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.867 20.583 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.049 22.106 -7.560 1.00 0.00 H new ATOM 0 HG SER A 101 11.941 22.450 -9.817 1.00 0.00 H new ATOM 1588 N GLY A 102 14.925 21.320 -10.222 1.00 0.00 N ATOM 1589 CA GLY A 102 15.845 20.561 -11.051 1.00 0.00 C ATOM 1590 C GLY A 102 15.425 20.607 -12.521 1.00 0.00 C ATOM 1591 O GLY A 102 14.707 19.728 -12.994 1.00 0.00 O ATOM 0 H GLY A 102 14.113 21.691 -10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 102 16.852 20.963 -10.944 1.00 0.00 H new ATOM 0 HA3 GLY A 102 15.877 19.526 -10.711 1.00 0.00 H new TER 1595 GLY A 102