USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=20 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= 0.261 USER MOD Set 1.2: A 63 ASN : amide:sc= 0.0917 X(o=0.35,f=0.43) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.000273 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -108:sc= -0.939 (180deg=-2.16!) USER MOD Single : A 25 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.16) 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+ -169:sc= 0 (180deg=-0.0686) 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 -88:sc= 0.792! USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -1.41 F(o=-2.1,f=-1.4) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 180:sc= -0.187 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.385 X(o=-0.38,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=-0.33) USER MOD Single : A 67 THR OG1 : rot 89:sc= 0.0379 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.528 K(o=-0.53,f=-4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -2.591 8.846 21.808 1.00 0.00 N ATOM 2 CA GLY A 1 -3.381 9.102 20.617 1.00 0.00 C ATOM 3 C GLY A 1 -4.297 7.918 20.300 1.00 0.00 C ATOM 4 O GLY A 1 -3.844 6.901 19.776 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.979 9.664 22.001 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.225 8.689 22.618 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.003 8.001 21.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.980 10.001 20.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.720 9.291 19.771 1.00 0.00 H new ATOM 8 N SER A 2 -5.568 8.088 20.632 1.00 0.00 N ATOM 9 CA SER A 2 -6.551 7.046 20.391 1.00 0.00 C ATOM 10 C SER A 2 -7.592 7.532 19.379 1.00 0.00 C ATOM 11 O SER A 2 -7.859 8.729 19.286 1.00 0.00 O ATOM 12 CB SER A 2 -7.235 6.620 21.692 1.00 0.00 C ATOM 13 OG SER A 2 -6.310 6.073 22.626 1.00 0.00 O ATOM 0 H SER A 2 -5.940 8.933 21.066 1.00 0.00 H new ATOM 0 HA SER A 2 -6.034 6.177 19.983 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.734 7.480 22.138 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.007 5.882 21.471 1.00 0.00 H new ATOM 0 HG SER A 2 -6.785 5.815 23.444 1.00 0.00 H new ATOM 18 N SER A 3 -8.149 6.579 18.649 1.00 0.00 N ATOM 19 CA SER A 3 -9.154 6.895 17.647 1.00 0.00 C ATOM 20 C SER A 3 -10.196 5.776 17.580 1.00 0.00 C ATOM 21 O SER A 3 -9.855 4.599 17.681 1.00 0.00 O ATOM 22 CB SER A 3 -8.516 7.108 16.274 1.00 0.00 C ATOM 23 OG SER A 3 -7.715 5.998 15.879 1.00 0.00 O ATOM 0 H SER A 3 -7.924 5.587 18.730 1.00 0.00 H new ATOM 0 HA SER A 3 -9.645 7.824 17.937 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.298 7.273 15.533 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.902 8.009 16.295 1.00 0.00 H new ATOM 0 HG SER A 3 -7.327 6.172 14.996 1.00 0.00 H new ATOM 28 N GLY A 4 -11.445 6.183 17.410 1.00 0.00 N ATOM 29 CA GLY A 4 -12.539 5.231 17.327 1.00 0.00 C ATOM 30 C GLY A 4 -13.351 5.437 16.048 1.00 0.00 C ATOM 31 O GLY A 4 -14.483 5.916 16.096 1.00 0.00 O ATOM 0 H GLY A 4 -11.724 7.161 17.327 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.144 4.215 17.351 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.188 5.341 18.196 1.00 0.00 H new ATOM 35 N SER A 5 -12.742 5.064 14.932 1.00 0.00 N ATOM 36 CA SER A 5 -13.394 5.201 13.640 1.00 0.00 C ATOM 37 C SER A 5 -13.226 3.915 12.830 1.00 0.00 C ATOM 38 O SER A 5 -12.364 3.835 11.956 1.00 0.00 O ATOM 39 CB SER A 5 -12.832 6.395 12.865 1.00 0.00 C ATOM 40 OG SER A 5 -13.865 7.234 12.354 1.00 0.00 O ATOM 0 H SER A 5 -11.803 4.667 14.896 1.00 0.00 H new ATOM 0 HA SER A 5 -14.456 5.379 13.809 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.182 6.977 13.518 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.216 6.035 12.041 1.00 0.00 H new ATOM 0 HG SER A 5 -13.466 7.985 11.867 1.00 0.00 H new ATOM 45 N SER A 6 -14.065 2.939 13.149 1.00 0.00 N ATOM 46 CA SER A 6 -14.021 1.659 12.462 1.00 0.00 C ATOM 47 C SER A 6 -15.205 1.542 11.501 1.00 0.00 C ATOM 48 O SER A 6 -16.349 1.768 11.888 1.00 0.00 O ATOM 49 CB SER A 6 -14.028 0.498 13.457 1.00 0.00 C ATOM 50 OG SER A 6 -15.320 0.284 14.017 1.00 0.00 O ATOM 0 H SER A 6 -14.779 3.009 13.874 1.00 0.00 H new ATOM 0 HA SER A 6 -13.092 1.607 11.894 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.695 -0.411 12.956 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.315 0.701 14.256 1.00 0.00 H new ATOM 0 HG SER A 6 -15.284 -0.467 14.646 1.00 0.00 H new ATOM 55 N GLY A 7 -14.888 1.188 10.263 1.00 0.00 N ATOM 56 CA GLY A 7 -15.912 1.037 9.243 1.00 0.00 C ATOM 57 C GLY A 7 -15.487 0.013 8.188 1.00 0.00 C ATOM 58 O GLY A 7 -14.467 -0.657 8.342 1.00 0.00 O ATOM 0 H GLY A 7 -13.937 1.002 9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.847 0.722 9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.100 1.999 8.766 1.00 0.00 H new ATOM 62 N MET A 8 -16.292 -0.076 7.138 1.00 0.00 N ATOM 63 CA MET A 8 -16.013 -1.007 6.058 1.00 0.00 C ATOM 64 C MET A 8 -15.721 -2.406 6.602 1.00 0.00 C ATOM 65 O MET A 8 -14.576 -2.729 6.913 1.00 0.00 O ATOM 66 CB MET A 8 -14.809 -0.510 5.255 1.00 0.00 C ATOM 67 CG MET A 8 -15.253 0.400 4.107 1.00 0.00 C ATOM 68 SD MET A 8 -15.919 1.922 4.757 1.00 0.00 S ATOM 69 CE MET A 8 -14.430 2.901 4.843 1.00 0.00 C ATOM 0 H MET A 8 -17.137 0.481 7.013 1.00 0.00 H new ATOM 0 HA MET A 8 -16.892 -1.064 5.416 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.128 0.032 5.911 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.257 -1.361 4.856 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.407 0.613 3.453 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.005 -0.106 3.501 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.668 3.891 5.232 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.712 2.414 5.503 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.999 2.996 3.846 1.00 0.00 H new ATOM 77 N ALA A 9 -16.777 -3.200 6.700 1.00 0.00 N ATOM 78 CA ALA A 9 -16.650 -4.558 7.201 1.00 0.00 C ATOM 79 C ALA A 9 -17.990 -5.280 7.053 1.00 0.00 C ATOM 80 O ALA A 9 -19.043 -4.644 7.037 1.00 0.00 O ATOM 81 CB ALA A 9 -16.162 -4.523 8.651 1.00 0.00 C ATOM 0 H ALA A 9 -17.725 -2.929 6.441 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.912 -5.113 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.067 -5.541 9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.193 -4.027 8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.879 -3.976 9.263 1.00 0.00 H new ATOM 87 N SER A 10 -17.907 -6.598 6.950 1.00 0.00 N ATOM 88 CA SER A 10 -19.102 -7.414 6.804 1.00 0.00 C ATOM 89 C SER A 10 -18.865 -8.800 7.405 1.00 0.00 C ATOM 90 O SER A 10 -19.620 -9.243 8.269 1.00 0.00 O ATOM 91 CB SER A 10 -19.509 -7.535 5.335 1.00 0.00 C ATOM 92 OG SER A 10 -20.689 -8.319 5.171 1.00 0.00 O ATOM 0 H SER A 10 -17.032 -7.122 6.965 1.00 0.00 H new ATOM 0 HA SER A 10 -19.917 -6.927 7.340 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.674 -6.540 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.693 -7.984 4.769 1.00 0.00 H new ATOM 0 HG SER A 10 -20.917 -8.371 4.219 1.00 0.00 H new ATOM 97 N GLU A 11 -17.813 -9.447 6.924 1.00 0.00 N ATOM 98 CA GLU A 11 -17.468 -10.774 7.404 1.00 0.00 C ATOM 99 C GLU A 11 -15.963 -11.013 7.268 1.00 0.00 C ATOM 100 O GLU A 11 -15.522 -12.150 7.112 1.00 0.00 O ATOM 101 CB GLU A 11 -18.263 -11.850 6.661 1.00 0.00 C ATOM 102 CG GLU A 11 -19.595 -12.129 7.359 1.00 0.00 C ATOM 103 CD GLU A 11 -20.276 -13.365 6.769 1.00 0.00 C ATOM 104 OE1 GLU A 11 -20.393 -13.409 5.526 1.00 0.00 O ATOM 105 OE2 GLU A 11 -20.663 -14.239 7.574 1.00 0.00 O ATOM 0 H GLU A 11 -17.189 -9.077 6.207 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.732 -10.837 8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.446 -11.529 5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.677 -12.768 6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.426 -12.277 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -20.251 -11.265 7.257 1.00 0.00 H new ATOM 110 N GLU A 12 -15.215 -9.921 7.331 1.00 0.00 N ATOM 111 CA GLU A 12 -13.768 -9.997 7.217 1.00 0.00 C ATOM 112 C GLU A 12 -13.149 -10.378 8.563 1.00 0.00 C ATOM 113 O GLU A 12 -13.856 -10.506 9.561 1.00 0.00 O ATOM 114 CB GLU A 12 -13.189 -8.678 6.701 1.00 0.00 C ATOM 115 CG GLU A 12 -13.024 -8.710 5.180 1.00 0.00 C ATOM 116 CD GLU A 12 -11.968 -7.701 4.722 1.00 0.00 C ATOM 117 OE1 GLU A 12 -12.168 -6.501 5.009 1.00 0.00 O ATOM 118 OE2 GLU A 12 -10.987 -8.153 4.095 1.00 0.00 O ATOM 0 H GLU A 12 -15.584 -8.979 7.460 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.520 -10.773 6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.845 -7.854 6.982 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.224 -8.492 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.736 -9.712 4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.978 -8.486 4.702 1.00 0.00 H new ATOM 123 N LEU A 13 -11.835 -10.548 8.547 1.00 0.00 N ATOM 124 CA LEU A 13 -11.113 -10.912 9.754 1.00 0.00 C ATOM 125 C LEU A 13 -10.962 -9.677 10.645 1.00 0.00 C ATOM 126 O LEU A 13 -11.695 -9.518 11.620 1.00 0.00 O ATOM 127 CB LEU A 13 -9.783 -11.580 9.401 1.00 0.00 C ATOM 128 CG LEU A 13 -9.675 -12.155 7.987 1.00 0.00 C ATOM 129 CD1 LEU A 13 -8.951 -11.183 7.054 1.00 0.00 C ATOM 130 CD2 LEU A 13 -9.013 -13.534 8.004 1.00 0.00 C ATOM 0 H LEU A 13 -11.252 -10.440 7.717 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.674 -11.652 10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.985 -10.850 9.537 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.603 -12.385 10.114 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.683 -12.287 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.888 -11.616 6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.502 -10.244 7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.946 -10.996 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.949 -13.919 6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.011 -13.451 8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.607 -14.215 8.613 1.00 0.00 H new ATOM 141 N TYR A 14 -10.009 -8.834 10.277 1.00 0.00 N ATOM 142 CA TYR A 14 -9.753 -7.618 11.031 1.00 0.00 C ATOM 143 C TYR A 14 -9.624 -6.412 10.099 1.00 0.00 C ATOM 144 O TYR A 14 -9.987 -6.488 8.926 1.00 0.00 O ATOM 145 CB TYR A 14 -8.420 -7.839 11.747 1.00 0.00 C ATOM 146 CG TYR A 14 -8.562 -8.229 13.220 1.00 0.00 C ATOM 147 CD1 TYR A 14 -8.664 -9.559 13.575 1.00 0.00 C ATOM 148 CD2 TYR A 14 -8.586 -7.251 14.195 1.00 0.00 C ATOM 149 CE1 TYR A 14 -8.799 -9.927 14.961 1.00 0.00 C ATOM 150 CE2 TYR A 14 -8.720 -7.619 15.580 1.00 0.00 C ATOM 151 CZ TYR A 14 -8.820 -8.938 15.895 1.00 0.00 C ATOM 152 OH TYR A 14 -8.946 -9.285 17.204 1.00 0.00 O ATOM 0 H TYR A 14 -9.404 -8.969 9.467 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.571 -7.416 11.723 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.865 -8.620 11.227 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.827 -6.927 11.679 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.643 -10.324 12.813 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.504 -6.210 13.918 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.882 -10.964 15.252 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.741 -6.864 16.352 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.945 -8.477 17.758 1.00 0.00 H new ATOM 161 N GLU A 15 -9.104 -5.327 10.655 1.00 0.00 N ATOM 162 CA GLU A 15 -8.923 -4.106 9.888 1.00 0.00 C ATOM 163 C GLU A 15 -7.481 -3.610 10.017 1.00 0.00 C ATOM 164 O GLU A 15 -6.891 -3.678 11.093 1.00 0.00 O ATOM 165 CB GLU A 15 -9.916 -3.030 10.329 1.00 0.00 C ATOM 166 CG GLU A 15 -9.629 -2.571 11.761 1.00 0.00 C ATOM 167 CD GLU A 15 -10.801 -2.901 12.687 1.00 0.00 C ATOM 168 OE1 GLU A 15 -11.786 -2.133 12.651 1.00 0.00 O ATOM 169 OE2 GLU A 15 -10.685 -3.914 13.411 1.00 0.00 O ATOM 0 H GLU A 15 -8.802 -5.268 11.628 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.119 -4.325 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.858 -2.178 9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.932 -3.420 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.724 -3.055 12.127 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.443 -1.497 11.772 1.00 0.00 H new ATOM 174 N VAL A 16 -6.958 -3.119 8.903 1.00 0.00 N ATOM 175 CA VAL A 16 -5.597 -2.610 8.876 1.00 0.00 C ATOM 176 C VAL A 16 -5.527 -1.313 9.684 1.00 0.00 C ATOM 177 O VAL A 16 -6.138 -0.312 9.312 1.00 0.00 O ATOM 178 CB VAL A 16 -5.129 -2.440 7.429 1.00 0.00 C ATOM 179 CG1 VAL A 16 -4.032 -1.379 7.329 1.00 0.00 C ATOM 180 CG2 VAL A 16 -4.658 -3.774 6.845 1.00 0.00 C ATOM 0 H VAL A 16 -7.452 -3.063 8.012 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.914 -3.321 9.342 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.980 -2.098 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.717 -1.278 6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.416 -0.424 7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.180 -1.678 7.939 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.331 -3.625 5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.828 -4.158 7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.480 -4.490 6.865 1.00 0.00 H new ATOM 190 N GLU A 17 -4.775 -1.371 10.773 1.00 0.00 N ATOM 191 CA GLU A 17 -4.617 -0.213 11.636 1.00 0.00 C ATOM 192 C GLU A 17 -3.815 0.877 10.920 1.00 0.00 C ATOM 193 O GLU A 17 -4.259 2.020 10.829 1.00 0.00 O ATOM 194 CB GLU A 17 -3.955 -0.601 12.960 1.00 0.00 C ATOM 195 CG GLU A 17 -3.367 0.625 13.660 1.00 0.00 C ATOM 196 CD GLU A 17 -3.060 0.325 15.128 1.00 0.00 C ATOM 197 OE1 GLU A 17 -3.951 -0.252 15.788 1.00 0.00 O ATOM 198 OE2 GLU A 17 -1.940 0.677 15.557 1.00 0.00 O ATOM 0 H GLU A 17 -4.268 -2.202 11.078 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.607 0.182 11.865 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.688 -1.079 13.610 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.167 -1.332 12.776 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.455 0.936 13.151 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.068 1.457 13.594 1.00 0.00 H new ATOM 203 N ARG A 18 -2.647 0.483 10.433 1.00 0.00 N ATOM 204 CA ARG A 18 -1.779 1.413 9.729 1.00 0.00 C ATOM 205 C ARG A 18 -0.473 0.722 9.332 1.00 0.00 C ATOM 206 O ARG A 18 -0.176 -0.374 9.808 1.00 0.00 O ATOM 207 CB ARG A 18 -1.460 2.632 10.596 1.00 0.00 C ATOM 208 CG ARG A 18 -0.262 2.359 11.507 1.00 0.00 C ATOM 209 CD ARG A 18 0.020 3.556 12.417 1.00 0.00 C ATOM 210 NE ARG A 18 -1.044 3.675 13.440 1.00 0.00 N ATOM 211 CZ ARG A 18 -1.046 3.010 14.603 1.00 0.00 C ATOM 212 NH1 ARG A 18 -0.041 2.176 14.899 1.00 0.00 N ATOM 213 NH2 ARG A 18 -2.053 3.180 15.470 1.00 0.00 N ATOM 0 H ARG A 18 -2.282 -0.466 10.512 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.305 1.746 8.834 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.248 3.491 9.959 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.330 2.890 11.200 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.456 1.474 12.114 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.618 2.143 10.901 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.989 3.435 12.901 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.071 4.470 11.825 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.824 4.303 13.247 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.726 2.047 14.239 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.042 1.670 15.784 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.818 3.816 15.245 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.055 2.674 16.355 1.00 0.00 H new ATOM 224 N ILE A 19 0.272 1.389 8.464 1.00 0.00 N ATOM 225 CA ILE A 19 1.540 0.853 7.998 1.00 0.00 C ATOM 226 C ILE A 19 2.678 1.445 8.832 1.00 0.00 C ATOM 227 O ILE A 19 2.730 2.655 9.047 1.00 0.00 O ATOM 228 CB ILE A 19 1.697 1.082 6.493 1.00 0.00 C ATOM 229 CG1 ILE A 19 0.358 0.921 5.771 1.00 0.00 C ATOM 230 CG2 ILE A 19 2.776 0.167 5.909 1.00 0.00 C ATOM 231 CD1 ILE A 19 -0.058 -0.549 5.707 1.00 0.00 C ATOM 0 H ILE A 19 0.022 2.296 8.071 1.00 0.00 H new ATOM 0 HA ILE A 19 1.571 -0.227 8.138 1.00 0.00 H new ATOM 0 HB ILE A 19 2.026 2.109 6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.409 1.497 6.288 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.434 1.325 4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.868 0.350 4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.730 0.373 6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.500 -0.874 6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.013 -0.635 5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.699 -1.118 5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.157 -0.943 6.718 1.00 0.00 H new ATOM 242 N VAL A 20 3.559 0.565 9.281 1.00 0.00 N ATOM 243 CA VAL A 20 4.693 0.985 10.088 1.00 0.00 C ATOM 244 C VAL A 20 5.984 0.774 9.295 1.00 0.00 C ATOM 245 O VAL A 20 7.022 1.342 9.629 1.00 0.00 O ATOM 246 CB VAL A 20 4.687 0.244 11.427 1.00 0.00 C ATOM 247 CG1 VAL A 20 4.532 1.222 12.594 1.00 0.00 C ATOM 248 CG2 VAL A 20 3.591 -0.824 11.457 1.00 0.00 C ATOM 0 H VAL A 20 3.511 -0.438 9.102 1.00 0.00 H new ATOM 0 HA VAL A 20 4.623 2.048 10.320 1.00 0.00 H new ATOM 0 HB VAL A 20 5.648 -0.259 11.537 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.531 0.670 13.534 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.362 1.928 12.589 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.593 1.765 12.491 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.608 -1.336 12.419 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.619 -0.352 11.314 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.764 -1.546 10.659 1.00 0.00 H new ATOM 258 N ASP A 21 5.877 -0.044 8.257 1.00 0.00 N ATOM 259 CA ASP A 21 7.023 -0.336 7.414 1.00 0.00 C ATOM 260 C ASP A 21 6.542 -0.987 6.115 1.00 0.00 C ATOM 261 O ASP A 21 5.375 -1.359 5.998 1.00 0.00 O ATOM 262 CB ASP A 21 7.980 -1.311 8.103 1.00 0.00 C ATOM 263 CG ASP A 21 9.431 -1.242 7.622 1.00 0.00 C ATOM 264 OD1 ASP A 21 9.689 -0.420 6.716 1.00 0.00 O ATOM 265 OD2 ASP A 21 10.248 -2.011 8.171 1.00 0.00 O ATOM 0 H ASP A 21 5.014 -0.513 7.982 1.00 0.00 H new ATOM 0 HA ASP A 21 7.543 0.601 7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.959 -1.120 9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.611 -2.326 7.953 1.00 0.00 H new ATOM 269 N LYS A 22 7.465 -1.102 5.171 1.00 0.00 N ATOM 270 CA LYS A 22 7.149 -1.701 3.885 1.00 0.00 C ATOM 271 C LYS A 22 8.448 -1.996 3.133 1.00 0.00 C ATOM 272 O LYS A 22 9.346 -1.157 3.083 1.00 0.00 O ATOM 273 CB LYS A 22 6.175 -0.813 3.106 1.00 0.00 C ATOM 274 CG LYS A 22 6.032 -1.295 1.661 1.00 0.00 C ATOM 275 CD LYS A 22 6.297 -0.156 0.675 1.00 0.00 C ATOM 276 CE LYS A 22 7.144 -0.638 -0.504 1.00 0.00 C ATOM 277 NZ LYS A 22 7.617 0.512 -1.307 1.00 0.00 N ATOM 0 H LYS A 22 8.431 -0.791 5.271 1.00 0.00 H new ATOM 0 HA LYS A 22 6.636 -2.653 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.200 -0.820 3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.529 0.218 3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.730 -2.111 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.029 -1.691 1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.350 0.241 0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.809 0.660 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.997 -1.208 -0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.557 -1.310 -1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.190 0.167 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.799 1.040 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.194 1.138 -0.710 1.00 0.00 H new ATOM 287 N ARG A 23 8.507 -3.192 2.566 1.00 0.00 N ATOM 288 CA ARG A 23 9.681 -3.609 1.819 1.00 0.00 C ATOM 289 C ARG A 23 9.314 -4.715 0.827 1.00 0.00 C ATOM 290 O ARG A 23 8.184 -5.201 0.824 1.00 0.00 O ATOM 291 CB ARG A 23 10.779 -4.117 2.755 1.00 0.00 C ATOM 292 CG ARG A 23 11.969 -3.157 2.778 1.00 0.00 C ATOM 293 CD ARG A 23 13.191 -3.782 2.102 1.00 0.00 C ATOM 294 NE ARG A 23 14.026 -2.726 1.487 1.00 0.00 N ATOM 295 CZ ARG A 23 14.881 -2.936 0.477 1.00 0.00 C ATOM 296 NH1 ARG A 23 15.019 -4.165 -0.038 1.00 0.00 N ATOM 297 NH2 ARG A 23 15.598 -1.917 -0.016 1.00 0.00 N ATOM 0 H ARG A 23 7.760 -3.886 2.609 1.00 0.00 H new ATOM 0 HA ARG A 23 10.055 -2.740 1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.379 -4.230 3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.110 -5.104 2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.703 -2.230 2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.212 -2.898 3.809 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.776 -4.339 2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.871 -4.494 1.341 1.00 0.00 H new ATOM 0 HE ARG A 23 13.945 -1.778 1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.473 -4.940 0.339 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.670 -4.326 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.493 -0.982 0.378 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.249 -2.076 -0.785 1.00 0.00 H new ATOM 308 N LYS A 24 10.290 -5.081 0.009 1.00 0.00 N ATOM 309 CA LYS A 24 10.084 -6.120 -0.985 1.00 0.00 C ATOM 310 C LYS A 24 10.694 -7.430 -0.482 1.00 0.00 C ATOM 311 O LYS A 24 11.654 -7.416 0.287 1.00 0.00 O ATOM 312 CB LYS A 24 10.622 -5.674 -2.347 1.00 0.00 C ATOM 313 CG LYS A 24 10.395 -6.753 -3.406 1.00 0.00 C ATOM 314 CD LYS A 24 10.108 -6.128 -4.774 1.00 0.00 C ATOM 315 CE LYS A 24 10.913 -4.841 -4.967 1.00 0.00 C ATOM 316 NZ LYS A 24 10.057 -3.655 -4.736 1.00 0.00 N ATOM 0 H LYS A 24 11.226 -4.676 0.015 1.00 0.00 H new ATOM 0 HA LYS A 24 9.019 -6.300 -1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.129 -4.751 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.687 -5.456 -2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.275 -7.393 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.560 -7.388 -3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.357 -6.839 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.043 -5.912 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.758 -4.827 -4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.324 -4.810 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.861 -3.187 -5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.161 -3.953 -4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.547 -2.991 -4.103 1.00 0.00 H new ATOM 326 N ASN A 25 10.112 -8.530 -0.936 1.00 0.00 N ATOM 327 CA ASN A 25 10.587 -9.845 -0.541 1.00 0.00 C ATOM 328 C ASN A 25 11.618 -10.337 -1.560 1.00 0.00 C ATOM 329 O ASN A 25 11.806 -9.719 -2.607 1.00 0.00 O ATOM 330 CB ASN A 25 9.439 -10.856 -0.504 1.00 0.00 C ATOM 331 CG ASN A 25 8.738 -10.839 0.856 1.00 0.00 C ATOM 332 OD1 ASN A 25 9.353 -10.976 1.902 1.00 0.00 O ATOM 333 ND2 ASN A 25 7.422 -10.663 0.785 1.00 0.00 N ATOM 0 H ASN A 25 9.316 -8.538 -1.574 1.00 0.00 H new ATOM 0 HA ASN A 25 11.026 -9.761 0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.721 -10.625 -1.290 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.823 -11.856 -0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.864 -10.636 1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.970 -10.555 -0.123 1.00 0.00 H new ATOM 339 N LYS A 26 12.257 -11.446 -1.217 1.00 0.00 N ATOM 340 CA LYS A 26 13.264 -12.029 -2.089 1.00 0.00 C ATOM 341 C LYS A 26 12.628 -12.366 -3.439 1.00 0.00 C ATOM 342 O LYS A 26 13.289 -12.296 -4.474 1.00 0.00 O ATOM 343 CB LYS A 26 13.935 -13.223 -1.408 1.00 0.00 C ATOM 344 CG LYS A 26 13.076 -14.482 -1.538 1.00 0.00 C ATOM 345 CD LYS A 26 13.622 -15.409 -2.626 1.00 0.00 C ATOM 346 CE LYS A 26 12.839 -16.723 -2.671 1.00 0.00 C ATOM 347 NZ LYS A 26 13.602 -17.805 -2.011 1.00 0.00 N ATOM 0 H LYS A 26 12.098 -11.956 -0.348 1.00 0.00 H new ATOM 0 HA LYS A 26 14.063 -11.313 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.914 -13.398 -1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.101 -12.999 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.051 -15.010 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.049 -14.203 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.563 -14.913 -3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.676 -15.616 -2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.876 -16.596 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.633 -16.995 -3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.056 -18.689 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.511 -17.937 -2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.777 -17.551 -1.018 1.00 0.00 H new ATOM 357 N LYS A 27 11.355 -12.727 -3.384 1.00 0.00 N ATOM 358 CA LYS A 27 10.624 -13.076 -4.590 1.00 0.00 C ATOM 359 C LYS A 27 10.287 -11.801 -5.365 1.00 0.00 C ATOM 360 O LYS A 27 9.943 -11.859 -6.544 1.00 0.00 O ATOM 361 CB LYS A 27 9.400 -13.929 -4.247 1.00 0.00 C ATOM 362 CG LYS A 27 9.819 -15.314 -3.750 1.00 0.00 C ATOM 363 CD LYS A 27 8.835 -16.387 -4.222 1.00 0.00 C ATOM 364 CE LYS A 27 8.659 -17.474 -3.160 1.00 0.00 C ATOM 365 NZ LYS A 27 7.424 -17.242 -2.379 1.00 0.00 N ATOM 0 H LYS A 27 10.811 -12.785 -2.523 1.00 0.00 H new ATOM 0 HA LYS A 27 11.241 -13.693 -5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.806 -13.428 -3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.765 -14.031 -5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.819 -15.548 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.868 -15.314 -2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.871 -15.929 -4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.195 -16.834 -5.149 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.616 -18.453 -3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.521 -17.482 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.321 -17.989 -1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.480 -16.316 -1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.602 -17.257 -3.016 1.00 0.00 H new ATOM 375 N GLY A 28 10.397 -10.678 -4.670 1.00 0.00 N ATOM 376 CA GLY A 28 10.108 -9.391 -5.278 1.00 0.00 C ATOM 377 C GLY A 28 8.701 -8.913 -4.910 1.00 0.00 C ATOM 378 O GLY A 28 8.186 -7.970 -5.508 1.00 0.00 O ATOM 0 H GLY A 28 10.682 -10.633 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.843 -8.656 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.198 -9.468 -6.362 1.00 0.00 H new ATOM 382 N LYS A 29 8.121 -9.587 -3.928 1.00 0.00 N ATOM 383 CA LYS A 29 6.784 -9.245 -3.474 1.00 0.00 C ATOM 384 C LYS A 29 6.869 -8.078 -2.487 1.00 0.00 C ATOM 385 O LYS A 29 7.772 -8.032 -1.652 1.00 0.00 O ATOM 386 CB LYS A 29 6.077 -10.478 -2.908 1.00 0.00 C ATOM 387 CG LYS A 29 5.943 -11.569 -3.973 1.00 0.00 C ATOM 388 CD LYS A 29 4.531 -11.585 -4.565 1.00 0.00 C ATOM 389 CE LYS A 29 3.739 -12.793 -4.060 1.00 0.00 C ATOM 390 NZ LYS A 29 3.256 -13.608 -5.198 1.00 0.00 N ATOM 0 H LYS A 29 8.552 -10.368 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 29 6.171 -8.912 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.636 -10.863 -2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.089 -10.199 -2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.672 -11.400 -4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.169 -12.541 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.010 -10.666 -4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.589 -11.613 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.368 -13.402 -3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.893 -12.456 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.721 -14.424 -4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.640 -13.029 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.068 -13.945 -5.753 1.00 0.00 H new ATOM 400 N THR A 30 5.917 -7.166 -2.614 1.00 0.00 N ATOM 401 CA THR A 30 5.874 -6.003 -1.743 1.00 0.00 C ATOM 402 C THR A 30 5.068 -6.313 -0.480 1.00 0.00 C ATOM 403 O THR A 30 3.901 -6.693 -0.561 1.00 0.00 O ATOM 404 CB THR A 30 5.312 -4.830 -2.549 1.00 0.00 C ATOM 405 OG1 THR A 30 6.365 -4.490 -3.447 1.00 0.00 O ATOM 406 CG2 THR A 30 5.125 -3.572 -1.699 1.00 0.00 C ATOM 0 H THR A 30 5.169 -7.208 -3.307 1.00 0.00 H new ATOM 0 HA THR A 30 6.871 -5.731 -1.397 1.00 0.00 H new ATOM 0 HB THR A 30 4.356 -5.116 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.085 -3.738 -4.010 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.724 -2.770 -2.319 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.431 -3.783 -0.885 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.086 -3.265 -1.286 1.00 0.00 H new ATOM 414 N GLU A 31 5.724 -6.141 0.658 1.00 0.00 N ATOM 415 CA GLU A 31 5.083 -6.396 1.938 1.00 0.00 C ATOM 416 C GLU A 31 5.018 -5.112 2.766 1.00 0.00 C ATOM 417 O GLU A 31 5.982 -4.347 2.809 1.00 0.00 O ATOM 418 CB GLU A 31 5.810 -7.505 2.701 1.00 0.00 C ATOM 419 CG GLU A 31 7.320 -7.267 2.709 1.00 0.00 C ATOM 420 CD GLU A 31 8.028 -8.266 3.626 1.00 0.00 C ATOM 421 OE1 GLU A 31 7.318 -8.878 4.454 1.00 0.00 O ATOM 422 OE2 GLU A 31 9.263 -8.394 3.481 1.00 0.00 O ATOM 0 H GLU A 31 6.693 -5.828 0.721 1.00 0.00 H new ATOM 0 HA GLU A 31 4.064 -6.735 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.440 -7.549 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.593 -8.469 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.711 -7.358 1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.530 -6.251 3.042 1.00 0.00 H new ATOM 427 N TYR A 32 3.874 -4.913 3.403 1.00 0.00 N ATOM 428 CA TYR A 32 3.671 -3.734 4.227 1.00 0.00 C ATOM 429 C TYR A 32 3.451 -4.120 5.691 1.00 0.00 C ATOM 430 O TYR A 32 2.577 -4.929 5.998 1.00 0.00 O ATOM 431 CB TYR A 32 2.406 -3.059 3.693 1.00 0.00 C ATOM 432 CG TYR A 32 2.630 -2.228 2.428 1.00 0.00 C ATOM 433 CD1 TYR A 32 3.063 -0.921 2.529 1.00 0.00 C ATOM 434 CD2 TYR A 32 2.400 -2.785 1.187 1.00 0.00 C ATOM 435 CE1 TYR A 32 3.274 -0.140 1.337 1.00 0.00 C ATOM 436 CE2 TYR A 32 2.610 -2.004 -0.003 1.00 0.00 C ATOM 437 CZ TYR A 32 3.037 -0.719 0.131 1.00 0.00 C ATOM 438 OH TYR A 32 3.236 0.019 -0.994 1.00 0.00 O ATOM 0 H TYR A 32 3.077 -5.549 3.365 1.00 0.00 H new ATOM 0 HA TYR A 32 4.543 -3.081 4.184 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.659 -3.825 3.485 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.995 -2.415 4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.243 -0.485 3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.062 -3.808 1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.613 0.883 1.401 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.433 -2.428 -0.980 1.00 0.00 H new ATOM 0 HH TYR A 32 3.028 -0.524 -1.783 1.00 0.00 H new ATOM 447 N LEU A 33 4.257 -3.522 6.555 1.00 0.00 N ATOM 448 CA LEU A 33 4.162 -3.794 7.980 1.00 0.00 C ATOM 449 C LEU A 33 2.922 -3.097 8.544 1.00 0.00 C ATOM 450 O LEU A 33 2.887 -1.871 8.648 1.00 0.00 O ATOM 451 CB LEU A 33 5.461 -3.406 8.688 1.00 0.00 C ATOM 452 CG LEU A 33 5.465 -3.554 10.211 1.00 0.00 C ATOM 453 CD1 LEU A 33 5.863 -4.973 10.622 1.00 0.00 C ATOM 454 CD2 LEU A 33 6.359 -2.498 10.862 1.00 0.00 C ATOM 0 H LEU A 33 4.979 -2.850 6.296 1.00 0.00 H new ATOM 0 HA LEU A 33 4.038 -4.862 8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.269 -4.015 8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.689 -2.369 8.443 1.00 0.00 H new ATOM 0 HG LEU A 33 4.451 -3.385 10.573 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.858 -5.052 11.709 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.153 -5.686 10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.862 -5.194 10.247 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.344 -2.626 11.944 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.380 -2.611 10.498 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.991 -1.504 10.609 1.00 0.00 H new ATOM 465 N VAL A 34 1.934 -3.907 8.895 1.00 0.00 N ATOM 466 CA VAL A 34 0.696 -3.384 9.447 1.00 0.00 C ATOM 467 C VAL A 34 0.434 -4.034 10.807 1.00 0.00 C ATOM 468 O VAL A 34 0.720 -5.215 11.001 1.00 0.00 O ATOM 469 CB VAL A 34 -0.449 -3.594 8.454 1.00 0.00 C ATOM 470 CG1 VAL A 34 -0.193 -4.817 7.571 1.00 0.00 C ATOM 471 CG2 VAL A 34 -1.789 -3.712 9.181 1.00 0.00 C ATOM 0 H VAL A 34 1.966 -4.923 8.808 1.00 0.00 H new ATOM 0 HA VAL A 34 0.775 -2.309 9.610 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.496 -2.719 7.806 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.022 -4.943 6.875 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.732 -4.675 7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.106 -5.706 8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.586 -3.861 8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.759 -4.561 9.864 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.979 -2.799 9.745 1.00 0.00 H new ATOM 481 N ARG A 35 -0.105 -3.234 11.715 1.00 0.00 N ATOM 482 CA ARG A 35 -0.409 -3.716 13.051 1.00 0.00 C ATOM 483 C ARG A 35 -1.802 -4.348 13.084 1.00 0.00 C ATOM 484 O ARG A 35 -2.522 -4.323 12.087 1.00 0.00 O ATOM 485 CB ARG A 35 -0.348 -2.580 14.074 1.00 0.00 C ATOM 486 CG ARG A 35 1.097 -2.292 14.487 1.00 0.00 C ATOM 487 CD ARG A 35 1.529 -3.198 15.642 1.00 0.00 C ATOM 488 NE ARG A 35 0.975 -2.692 16.917 1.00 0.00 N ATOM 489 CZ ARG A 35 1.410 -1.588 17.540 1.00 0.00 C ATOM 490 NH1 ARG A 35 2.408 -0.868 17.008 1.00 0.00 N ATOM 491 NH2 ARG A 35 0.849 -1.203 18.694 1.00 0.00 N ATOM 0 H ARG A 35 -0.339 -2.255 11.551 1.00 0.00 H new ATOM 0 HA ARG A 35 0.340 -4.465 13.311 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.795 -1.680 13.651 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.935 -2.845 14.953 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.759 -2.443 13.635 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.193 -1.248 14.784 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.184 -4.217 15.465 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.617 -3.236 15.698 1.00 0.00 H new ATOM 0 HE ARG A 35 0.214 -3.216 17.349 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.836 -1.161 16.129 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.739 -0.028 17.482 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.090 -1.750 19.100 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.181 -0.363 19.167 1.00 0.00 H new ATOM 502 N TRP A 36 -2.140 -4.900 14.240 1.00 0.00 N ATOM 503 CA TRP A 36 -3.434 -5.537 14.416 1.00 0.00 C ATOM 504 C TRP A 36 -3.696 -5.670 15.917 1.00 0.00 C ATOM 505 O TRP A 36 -2.760 -5.703 16.714 1.00 0.00 O ATOM 506 CB TRP A 36 -3.491 -6.876 13.678 1.00 0.00 C ATOM 507 CG TRP A 36 -2.705 -6.897 12.365 1.00 0.00 C ATOM 508 CD1 TRP A 36 -1.395 -7.114 12.191 1.00 0.00 C ATOM 509 CD2 TRP A 36 -3.238 -6.682 11.041 1.00 0.00 C ATOM 510 NE1 TRP A 36 -1.045 -7.056 10.858 1.00 0.00 N ATOM 511 CE2 TRP A 36 -2.202 -6.785 10.137 1.00 0.00 C ATOM 512 CE3 TRP A 36 -4.553 -6.412 10.622 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -2.372 -6.630 8.755 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -4.706 -6.259 9.239 1.00 0.00 C ATOM 515 CH2 TRP A 36 -3.674 -6.360 8.315 1.00 0.00 C ATOM 0 H TRP A 36 -1.540 -4.919 15.064 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.225 -4.929 13.977 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.105 -7.657 14.333 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.533 -7.120 13.470 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.700 -7.310 12.994 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.110 -7.188 10.473 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.379 -6.329 11.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.544 -6.714 8.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.696 -6.047 8.864 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.875 -6.231 7.262 1.00 0.00 H new ATOM 525 N LYS A 37 -4.974 -5.742 16.259 1.00 0.00 N ATOM 526 CA LYS A 37 -5.371 -5.871 17.651 1.00 0.00 C ATOM 527 C LYS A 37 -4.890 -7.218 18.191 1.00 0.00 C ATOM 528 O LYS A 37 -4.921 -8.223 17.482 1.00 0.00 O ATOM 529 CB LYS A 37 -6.878 -5.651 17.801 1.00 0.00 C ATOM 530 CG LYS A 37 -7.169 -4.426 18.671 1.00 0.00 C ATOM 531 CD LYS A 37 -8.535 -4.548 19.350 1.00 0.00 C ATOM 532 CE LYS A 37 -8.767 -3.392 20.325 1.00 0.00 C ATOM 533 NZ LYS A 37 -7.953 -3.574 21.548 1.00 0.00 N ATOM 0 H LYS A 37 -5.748 -5.713 15.596 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.897 -5.097 18.255 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.330 -5.519 16.818 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.336 -6.535 18.246 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.391 -4.319 19.427 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.143 -3.525 18.058 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.321 -4.555 18.595 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.597 -5.497 19.883 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.509 -2.447 19.846 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.823 -3.337 20.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.256 -2.891 22.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.081 -4.541 21.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.950 -3.418 21.324 1.00 0.00 H new ATOM 543 N GLY A 38 -4.454 -7.197 19.443 1.00 0.00 N ATOM 544 CA GLY A 38 -3.967 -8.405 20.086 1.00 0.00 C ATOM 545 C GLY A 38 -2.457 -8.559 19.892 1.00 0.00 C ATOM 546 O GLY A 38 -1.779 -9.159 20.725 1.00 0.00 O ATOM 0 H GLY A 38 -4.428 -6.362 20.028 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.199 -8.373 21.151 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.481 -9.273 19.673 1.00 0.00 H new ATOM 550 N TYR A 39 -1.975 -8.006 18.788 1.00 0.00 N ATOM 551 CA TYR A 39 -0.559 -8.074 18.474 1.00 0.00 C ATOM 552 C TYR A 39 0.187 -6.861 19.036 1.00 0.00 C ATOM 553 O TYR A 39 -0.247 -5.724 18.856 1.00 0.00 O ATOM 554 CB TYR A 39 -0.463 -8.055 16.948 1.00 0.00 C ATOM 555 CG TYR A 39 -0.895 -9.362 16.281 1.00 0.00 C ATOM 556 CD1 TYR A 39 -2.219 -9.559 15.942 1.00 0.00 C ATOM 557 CD2 TYR A 39 0.039 -10.344 16.018 1.00 0.00 C ATOM 558 CE1 TYR A 39 -2.624 -10.790 15.314 1.00 0.00 C ATOM 559 CE2 TYR A 39 -0.368 -11.575 15.390 1.00 0.00 C ATOM 560 CZ TYR A 39 -1.679 -11.737 15.069 1.00 0.00 C ATOM 561 OH TYR A 39 -2.063 -12.899 14.476 1.00 0.00 O ATOM 0 H TYR A 39 -2.541 -7.509 18.100 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.113 -8.968 18.909 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.081 -7.242 16.565 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.566 -7.836 16.662 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.950 -8.791 16.148 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.075 -10.189 16.283 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.656 -10.958 15.043 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.352 -12.352 15.179 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.283 -13.481 14.362 1.00 0.00 H new ATOM 570 N ASP A 40 1.295 -7.145 19.705 1.00 0.00 N ATOM 571 CA ASP A 40 2.103 -6.090 20.294 1.00 0.00 C ATOM 572 C ASP A 40 2.784 -5.294 19.179 1.00 0.00 C ATOM 573 O ASP A 40 2.425 -5.424 18.010 1.00 0.00 O ATOM 574 CB ASP A 40 3.195 -6.673 21.194 1.00 0.00 C ATOM 575 CG ASP A 40 2.793 -7.928 21.969 1.00 0.00 C ATOM 576 OD1 ASP A 40 2.016 -7.772 22.937 1.00 0.00 O ATOM 577 OD2 ASP A 40 3.272 -9.015 21.579 1.00 0.00 O ATOM 0 H ASP A 40 1.652 -8.089 19.852 1.00 0.00 H new ATOM 0 HA ASP A 40 1.448 -5.452 20.888 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.064 -6.907 20.580 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.504 -5.908 21.906 1.00 0.00 H new ATOM 581 N SER A 41 3.755 -4.486 19.580 1.00 0.00 N ATOM 582 CA SER A 41 4.488 -3.668 18.631 1.00 0.00 C ATOM 583 C SER A 41 5.490 -4.531 17.860 1.00 0.00 C ATOM 584 O SER A 41 5.626 -4.396 16.645 1.00 0.00 O ATOM 585 CB SER A 41 5.211 -2.518 19.336 1.00 0.00 C ATOM 586 OG SER A 41 4.845 -1.249 18.801 1.00 0.00 O ATOM 0 H SER A 41 4.051 -4.381 20.551 1.00 0.00 H new ATOM 0 HA SER A 41 3.774 -3.236 17.930 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.979 -2.543 20.401 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.288 -2.654 19.241 1.00 0.00 H new ATOM 0 HG SER A 41 5.326 -0.541 19.279 1.00 0.00 H new ATOM 591 N GLU A 42 6.166 -5.399 18.600 1.00 0.00 N ATOM 592 CA GLU A 42 7.151 -6.284 18.001 1.00 0.00 C ATOM 593 C GLU A 42 6.484 -7.574 17.522 1.00 0.00 C ATOM 594 O GLU A 42 7.162 -8.558 17.232 1.00 0.00 O ATOM 595 CB GLU A 42 8.285 -6.585 18.983 1.00 0.00 C ATOM 596 CG GLU A 42 9.517 -5.733 18.676 1.00 0.00 C ATOM 597 CD GLU A 42 10.458 -5.674 19.881 1.00 0.00 C ATOM 598 OE1 GLU A 42 9.936 -5.467 20.998 1.00 0.00 O ATOM 599 OE2 GLU A 42 11.677 -5.836 19.659 1.00 0.00 O ATOM 0 H GLU A 42 6.051 -5.508 19.608 1.00 0.00 H new ATOM 0 HA GLU A 42 7.586 -5.781 17.137 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.949 -6.391 20.002 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.547 -7.642 18.929 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.045 -6.148 17.818 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.207 -4.724 18.403 1.00 0.00 H new ATOM 604 N ASP A 43 5.161 -7.528 17.452 1.00 0.00 N ATOM 605 CA ASP A 43 4.394 -8.681 17.013 1.00 0.00 C ATOM 606 C ASP A 43 3.780 -8.388 15.642 1.00 0.00 C ATOM 607 O ASP A 43 3.296 -9.295 14.967 1.00 0.00 O ATOM 608 CB ASP A 43 3.254 -8.987 17.986 1.00 0.00 C ATOM 609 CG ASP A 43 3.303 -10.377 18.622 1.00 0.00 C ATOM 610 OD1 ASP A 43 4.434 -10.880 18.801 1.00 0.00 O ATOM 611 OD2 ASP A 43 2.209 -10.906 18.917 1.00 0.00 O ATOM 0 H ASP A 43 4.601 -6.710 17.692 1.00 0.00 H new ATOM 0 HA ASP A 43 5.068 -9.536 16.967 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.264 -8.240 18.780 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.307 -8.879 17.458 1.00 0.00 H new ATOM 615 N ASP A 44 3.821 -7.116 15.272 1.00 0.00 N ATOM 616 CA ASP A 44 3.274 -6.692 13.994 1.00 0.00 C ATOM 617 C ASP A 44 3.634 -7.724 12.922 1.00 0.00 C ATOM 618 O ASP A 44 4.648 -8.411 13.032 1.00 0.00 O ATOM 619 CB ASP A 44 3.858 -5.344 13.566 1.00 0.00 C ATOM 620 CG ASP A 44 5.278 -5.067 14.063 1.00 0.00 C ATOM 621 OD1 ASP A 44 5.955 -6.053 14.426 1.00 0.00 O ATOM 622 OD2 ASP A 44 5.654 -3.875 14.069 1.00 0.00 O ATOM 0 H ASP A 44 4.224 -6.366 15.834 1.00 0.00 H new ATOM 0 HA ASP A 44 2.193 -6.600 14.103 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.854 -5.293 12.477 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.202 -4.551 13.925 1.00 0.00 H new ATOM 626 N THR A 45 2.781 -7.801 11.911 1.00 0.00 N ATOM 627 CA THR A 45 2.996 -8.737 10.821 1.00 0.00 C ATOM 628 C THR A 45 3.234 -7.985 9.510 1.00 0.00 C ATOM 629 O THR A 45 3.040 -6.772 9.442 1.00 0.00 O ATOM 630 CB THR A 45 1.796 -9.685 10.769 1.00 0.00 C ATOM 631 OG1 THR A 45 0.686 -8.826 10.529 1.00 0.00 O ATOM 632 CG2 THR A 45 1.492 -10.319 12.128 1.00 0.00 C ATOM 0 H THR A 45 1.940 -7.231 11.824 1.00 0.00 H new ATOM 0 HA THR A 45 3.894 -9.334 10.983 1.00 0.00 H new ATOM 0 HB THR A 45 1.984 -10.470 10.037 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.329 -8.506 11.384 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.632 -10.982 12.036 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.357 -10.891 12.464 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.270 -9.536 12.853 1.00 0.00 H new ATOM 640 N TRP A 46 3.648 -8.736 8.500 1.00 0.00 N ATOM 641 CA TRP A 46 3.913 -8.155 7.195 1.00 0.00 C ATOM 642 C TRP A 46 2.877 -8.706 6.213 1.00 0.00 C ATOM 643 O TRP A 46 2.773 -9.918 6.031 1.00 0.00 O ATOM 644 CB TRP A 46 5.354 -8.423 6.757 1.00 0.00 C ATOM 645 CG TRP A 46 6.395 -7.565 7.479 1.00 0.00 C ATOM 646 CD1 TRP A 46 6.857 -7.705 8.729 1.00 0.00 C ATOM 647 CD2 TRP A 46 7.087 -6.419 6.940 1.00 0.00 C ATOM 648 NE1 TRP A 46 7.793 -6.738 9.034 1.00 0.00 N ATOM 649 CE2 TRP A 46 7.937 -5.930 7.911 1.00 0.00 C ATOM 650 CE3 TRP A 46 6.998 -5.815 5.673 1.00 0.00 C ATOM 651 CZ2 TRP A 46 8.763 -4.817 7.717 1.00 0.00 C ATOM 652 CZ3 TRP A 46 7.830 -4.703 5.495 1.00 0.00 C ATOM 653 CH2 TRP A 46 8.691 -4.199 6.463 1.00 0.00 C ATOM 0 H TRP A 46 3.806 -9.742 8.559 1.00 0.00 H new ATOM 0 HA TRP A 46 3.817 -7.070 7.230 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.585 -9.475 6.927 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.435 -8.248 5.684 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.537 -8.478 9.412 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.288 -6.635 9.920 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.340 -6.180 4.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 9.421 -4.454 8.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.801 -4.202 4.539 1.00 0.00 H new ATOM 0 HH2 TRP A 46 9.302 -3.334 6.249 1.00 0.00 H new ATOM 663 N GLU A 47 2.138 -7.789 5.605 1.00 0.00 N ATOM 664 CA GLU A 47 1.115 -8.169 4.647 1.00 0.00 C ATOM 665 C GLU A 47 1.436 -7.586 3.269 1.00 0.00 C ATOM 666 O GLU A 47 1.797 -6.416 3.155 1.00 0.00 O ATOM 667 CB GLU A 47 -0.272 -7.726 5.120 1.00 0.00 C ATOM 668 CG GLU A 47 -0.742 -8.570 6.306 1.00 0.00 C ATOM 669 CD GLU A 47 -0.711 -10.061 5.964 1.00 0.00 C ATOM 670 OE1 GLU A 47 -1.741 -10.547 5.449 1.00 0.00 O ATOM 671 OE2 GLU A 47 0.342 -10.681 6.225 1.00 0.00 O ATOM 0 H GLU A 47 2.228 -6.784 5.758 1.00 0.00 H new ATOM 0 HA GLU A 47 1.105 -9.256 4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.244 -6.674 5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.985 -7.815 4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.105 -8.378 7.169 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.754 -8.278 6.586 1.00 0.00 H new ATOM 676 N PRO A 48 1.289 -8.452 2.231 1.00 0.00 N ATOM 677 CA PRO A 48 1.560 -8.035 0.865 1.00 0.00 C ATOM 678 C PRO A 48 0.434 -7.149 0.329 1.00 0.00 C ATOM 679 O PRO A 48 -0.743 -7.445 0.528 1.00 0.00 O ATOM 680 CB PRO A 48 1.720 -9.330 0.083 1.00 0.00 C ATOM 681 CG PRO A 48 1.077 -10.413 0.935 1.00 0.00 C ATOM 682 CD PRO A 48 0.864 -9.845 2.328 1.00 0.00 C ATOM 0 HA PRO A 48 2.457 -7.421 0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.236 -9.260 -0.891 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.772 -9.549 -0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.127 -10.726 0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.715 -11.296 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.181 -9.920 2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.450 -10.387 3.070 1.00 0.00 H new ATOM 687 N GLU A 49 0.836 -6.078 -0.340 1.00 0.00 N ATOM 688 CA GLU A 49 -0.124 -5.146 -0.906 1.00 0.00 C ATOM 689 C GLU A 49 -1.290 -5.905 -1.542 1.00 0.00 C ATOM 690 O GLU A 49 -2.435 -5.461 -1.474 1.00 0.00 O ATOM 691 CB GLU A 49 0.545 -4.218 -1.922 1.00 0.00 C ATOM 692 CG GLU A 49 -0.122 -2.841 -1.931 1.00 0.00 C ATOM 693 CD GLU A 49 -0.818 -2.578 -3.269 1.00 0.00 C ATOM 694 OE1 GLU A 49 -1.741 -3.356 -3.590 1.00 0.00 O ATOM 695 OE2 GLU A 49 -0.410 -1.604 -3.938 1.00 0.00 O ATOM 0 H GLU A 49 1.813 -5.835 -0.503 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.516 -4.526 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.603 -4.112 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.487 -4.660 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.848 -2.779 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.626 -2.069 -1.748 1.00 0.00 H new ATOM 700 N GLN A 50 -0.958 -7.037 -2.145 1.00 0.00 N ATOM 701 CA GLN A 50 -1.963 -7.863 -2.793 1.00 0.00 C ATOM 702 C GLN A 50 -3.045 -8.267 -1.790 1.00 0.00 C ATOM 703 O GLN A 50 -4.235 -8.205 -2.095 1.00 0.00 O ATOM 704 CB GLN A 50 -1.327 -9.095 -3.440 1.00 0.00 C ATOM 705 CG GLN A 50 -2.313 -9.790 -4.382 1.00 0.00 C ATOM 706 CD GLN A 50 -1.698 -9.987 -5.770 1.00 0.00 C ATOM 707 OE1 GLN A 50 -2.134 -9.416 -6.756 1.00 0.00 O ATOM 708 NE2 GLN A 50 -0.666 -10.825 -5.790 1.00 0.00 N ATOM 0 H GLN A 50 -0.007 -7.402 -2.199 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.430 -7.278 -3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.436 -8.800 -3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.005 -9.792 -2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.599 -10.756 -3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.223 -9.196 -4.464 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.353 -11.269 -4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.187 -11.024 -6.669 1.00 0.00 H new ATOM 715 N HIS A 51 -2.593 -8.672 -0.612 1.00 0.00 N ATOM 716 CA HIS A 51 -3.507 -9.087 0.439 1.00 0.00 C ATOM 717 C HIS A 51 -4.212 -7.860 1.020 1.00 0.00 C ATOM 718 O HIS A 51 -5.353 -7.949 1.471 1.00 0.00 O ATOM 719 CB HIS A 51 -2.777 -9.910 1.501 1.00 0.00 C ATOM 720 CG HIS A 51 -2.277 -11.247 1.006 1.00 0.00 C ATOM 721 ND1 HIS A 51 -2.052 -11.701 -0.260 1.00 0.00 N flip ATOM 722 CD2 HIS A 51 -1.950 -12.287 1.858 1.00 0.00 C flip ATOM 723 CE1 HIS A 51 -1.610 -12.950 -0.186 1.00 0.00 C flip ATOM 724 NE2 HIS A 51 -1.547 -13.315 1.126 1.00 0.00 N flip ATOM 0 H HIS A 51 -1.605 -8.722 -0.362 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.274 -9.740 0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.931 -9.333 1.875 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.448 -10.074 2.344 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.013 -12.265 2.936 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.344 -13.574 -1.026 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -1.243 -14.221 1.482 1.00 0.00 H new ATOM 731 N LEU A 52 -3.502 -6.741 0.991 1.00 0.00 N ATOM 732 CA LEU A 52 -4.044 -5.497 1.510 1.00 0.00 C ATOM 733 C LEU A 52 -4.987 -4.885 0.472 1.00 0.00 C ATOM 734 O LEU A 52 -4.660 -3.877 -0.152 1.00 0.00 O ATOM 735 CB LEU A 52 -2.915 -4.560 1.943 1.00 0.00 C ATOM 736 CG LEU A 52 -2.127 -4.988 3.183 1.00 0.00 C ATOM 737 CD1 LEU A 52 -0.727 -4.368 3.182 1.00 0.00 C ATOM 738 CD2 LEU A 52 -2.897 -4.661 4.463 1.00 0.00 C ATOM 0 H LEU A 52 -2.556 -6.670 0.616 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.634 -5.683 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.218 -4.455 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.340 -3.573 2.129 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.002 -6.070 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.187 -4.687 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.186 -4.693 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.810 -3.281 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.314 -4.976 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.075 -3.587 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.852 -5.187 4.458 1.00 0.00 H new ATOM 749 N VAL A 53 -6.140 -5.521 0.320 1.00 0.00 N ATOM 750 CA VAL A 53 -7.133 -5.051 -0.631 1.00 0.00 C ATOM 751 C VAL A 53 -8.136 -4.148 0.090 1.00 0.00 C ATOM 752 O VAL A 53 -8.512 -4.417 1.229 1.00 0.00 O ATOM 753 CB VAL A 53 -7.795 -6.243 -1.328 1.00 0.00 C ATOM 754 CG1 VAL A 53 -9.018 -5.798 -2.131 1.00 0.00 C ATOM 755 CG2 VAL A 53 -6.794 -6.982 -2.217 1.00 0.00 C ATOM 0 H VAL A 53 -6.408 -6.357 0.839 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.662 -4.455 -1.412 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.134 -6.936 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.469 -6.664 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.745 -5.337 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.713 -5.076 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.289 -7.824 -2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.411 -6.301 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.968 -7.348 -1.608 1.00 0.00 H new ATOM 765 N ASN A 54 -8.541 -3.095 -0.606 1.00 0.00 N ATOM 766 CA ASN A 54 -9.493 -2.150 -0.047 1.00 0.00 C ATOM 767 C ASN A 54 -8.844 -1.413 1.127 1.00 0.00 C ATOM 768 O ASN A 54 -9.522 -0.711 1.875 1.00 0.00 O ATOM 769 CB ASN A 54 -10.739 -2.868 0.477 1.00 0.00 C ATOM 770 CG ASN A 54 -11.988 -2.424 -0.286 1.00 0.00 C ATOM 771 OD1 ASN A 54 -12.730 -1.553 0.139 1.00 0.00 O ATOM 772 ND2 ASN A 54 -12.181 -3.070 -1.432 1.00 0.00 N ATOM 0 H ASN A 54 -8.227 -2.876 -1.551 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.782 -1.456 -0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.611 -3.946 0.377 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.864 -2.659 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.989 -2.847 -2.013 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.521 -3.789 -1.730 1.00 0.00 H new ATOM 778 N CYS A 55 -7.538 -1.596 1.251 1.00 0.00 N ATOM 779 CA CYS A 55 -6.790 -0.958 2.319 1.00 0.00 C ATOM 780 C CYS A 55 -5.708 -0.077 1.689 1.00 0.00 C ATOM 781 O CYS A 55 -4.729 0.275 2.346 1.00 0.00 O ATOM 782 CB CYS A 55 -6.198 -1.984 3.287 1.00 0.00 C ATOM 783 SG CYS A 55 -7.477 -2.534 4.475 1.00 0.00 S ATOM 0 H CYS A 55 -6.978 -2.178 0.628 1.00 0.00 H new ATOM 0 HA CYS A 55 -7.460 -0.338 2.915 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.813 -2.840 2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.356 -1.547 3.823 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.965 -3.406 5.291 1.00 0.00 H new ATOM 788 N GLU A 56 -5.921 0.253 0.424 1.00 0.00 N ATOM 789 CA GLU A 56 -4.977 1.084 -0.302 1.00 0.00 C ATOM 790 C GLU A 56 -4.821 2.439 0.392 1.00 0.00 C ATOM 791 O GLU A 56 -3.750 3.043 0.348 1.00 0.00 O ATOM 792 CB GLU A 56 -5.409 1.261 -1.759 1.00 0.00 C ATOM 793 CG GLU A 56 -4.472 0.507 -2.704 1.00 0.00 C ATOM 794 CD GLU A 56 -5.183 0.149 -4.011 1.00 0.00 C ATOM 795 OE1 GLU A 56 -5.240 1.038 -4.888 1.00 0.00 O ATOM 796 OE2 GLU A 56 -5.654 -1.005 -4.103 1.00 0.00 O ATOM 0 H GLU A 56 -6.734 -0.041 -0.117 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.009 0.584 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.429 0.898 -1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.414 2.321 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.596 1.119 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.115 -0.402 -2.219 1.00 0.00 H new ATOM 801 N GLU A 57 -5.904 2.876 1.017 1.00 0.00 N ATOM 802 CA GLU A 57 -5.901 4.148 1.719 1.00 0.00 C ATOM 803 C GLU A 57 -4.681 4.244 2.638 1.00 0.00 C ATOM 804 O GLU A 57 -3.802 5.079 2.423 1.00 0.00 O ATOM 805 CB GLU A 57 -7.197 4.342 2.509 1.00 0.00 C ATOM 806 CG GLU A 57 -7.751 5.755 2.314 1.00 0.00 C ATOM 807 CD GLU A 57 -8.985 5.985 3.191 1.00 0.00 C ATOM 808 OE1 GLU A 57 -9.881 5.116 3.149 1.00 0.00 O ATOM 809 OE2 GLU A 57 -9.002 7.026 3.883 1.00 0.00 O ATOM 0 H GLU A 57 -6.790 2.372 1.052 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.841 4.947 0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.937 3.610 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.012 4.163 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.983 6.488 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.011 5.906 1.266 1.00 0.00 H new ATOM 814 N TYR A 58 -4.665 3.379 3.640 1.00 0.00 N ATOM 815 CA TYR A 58 -3.566 3.356 4.591 1.00 0.00 C ATOM 816 C TYR A 58 -2.217 3.355 3.871 1.00 0.00 C ATOM 817 O TYR A 58 -1.382 4.226 4.107 1.00 0.00 O ATOM 818 CB TYR A 58 -3.713 2.050 5.374 1.00 0.00 C ATOM 819 CG TYR A 58 -5.076 1.879 6.048 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.526 2.826 6.946 1.00 0.00 C ATOM 821 CD2 TYR A 58 -5.857 0.778 5.758 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.809 2.665 7.580 1.00 0.00 C ATOM 823 CE2 TYR A 58 -7.139 0.617 6.392 1.00 0.00 C ATOM 824 CZ TYR A 58 -7.553 1.568 7.272 1.00 0.00 C ATOM 825 OH TYR A 58 -8.764 1.416 7.870 1.00 0.00 O ATOM 0 H TYR A 58 -5.395 2.688 3.815 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.597 4.235 5.234 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.546 1.212 4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.934 2.005 6.135 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.916 3.688 7.173 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.506 0.037 5.055 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.173 3.399 8.284 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.759 -0.240 6.174 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.183 0.589 7.554 1.00 0.00 H new ATOM 834 N ILE A 59 -2.044 2.365 3.006 1.00 0.00 N ATOM 835 CA ILE A 59 -0.811 2.240 2.249 1.00 0.00 C ATOM 836 C ILE A 59 -0.495 3.573 1.570 1.00 0.00 C ATOM 837 O ILE A 59 0.611 4.095 1.701 1.00 0.00 O ATOM 838 CB ILE A 59 -0.895 1.059 1.279 1.00 0.00 C ATOM 839 CG1 ILE A 59 -1.082 -0.258 2.033 1.00 0.00 C ATOM 840 CG2 ILE A 59 0.321 1.024 0.352 1.00 0.00 C ATOM 841 CD1 ILE A 59 -1.695 -1.327 1.126 1.00 0.00 C ATOM 0 H ILE A 59 -2.738 1.643 2.813 1.00 0.00 H new ATOM 0 HA ILE A 59 0.023 2.017 2.915 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.774 1.195 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.120 -0.605 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.725 -0.098 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.237 0.176 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.365 1.948 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.229 0.924 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.817 -2.254 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.668 -0.988 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.037 -1.502 0.275 1.00 0.00 H new ATOM 852 N HIS A 60 -1.488 4.087 0.859 1.00 0.00 N ATOM 853 CA HIS A 60 -1.330 5.351 0.158 1.00 0.00 C ATOM 854 C HIS A 60 -0.787 6.408 1.123 1.00 0.00 C ATOM 855 O HIS A 60 0.226 7.046 0.843 1.00 0.00 O ATOM 856 CB HIS A 60 -2.643 5.772 -0.505 1.00 0.00 C ATOM 857 CG HIS A 60 -2.780 5.316 -1.938 1.00 0.00 C ATOM 858 ND1 HIS A 60 -2.374 6.089 -3.012 1.00 0.00 N ATOM 859 CD2 HIS A 60 -3.281 4.161 -2.462 1.00 0.00 C ATOM 860 CE1 HIS A 60 -2.625 5.419 -4.128 1.00 0.00 C ATOM 861 NE2 HIS A 60 -3.188 4.225 -3.785 1.00 0.00 N ATOM 0 H HIS A 60 -2.404 3.652 0.753 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.604 5.237 -0.647 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.475 5.372 0.074 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.724 6.858 -0.471 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.685 3.334 -1.897 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.420 5.759 -5.132 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.488 3.501 -4.437 1.00 0.00 H new ATOM 868 N ASP A 61 -1.487 6.561 2.237 1.00 0.00 N ATOM 869 CA ASP A 61 -1.088 7.530 3.244 1.00 0.00 C ATOM 870 C ASP A 61 0.352 7.247 3.675 1.00 0.00 C ATOM 871 O ASP A 61 1.206 8.130 3.617 1.00 0.00 O ATOM 872 CB ASP A 61 -1.980 7.435 4.484 1.00 0.00 C ATOM 873 CG ASP A 61 -1.966 8.670 5.386 1.00 0.00 C ATOM 874 OD1 ASP A 61 -1.975 9.786 4.822 1.00 0.00 O ATOM 875 OD2 ASP A 61 -1.946 8.471 6.620 1.00 0.00 O ATOM 0 H ASP A 61 -2.328 6.031 2.465 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.180 8.525 2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.005 7.250 4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.669 6.571 5.071 1.00 0.00 H new ATOM 879 N PHE A 62 0.577 6.011 4.100 1.00 0.00 N ATOM 880 CA PHE A 62 1.898 5.601 4.542 1.00 0.00 C ATOM 881 C PHE A 62 2.952 5.904 3.474 1.00 0.00 C ATOM 882 O PHE A 62 4.020 6.431 3.782 1.00 0.00 O ATOM 883 CB PHE A 62 1.844 4.090 4.772 1.00 0.00 C ATOM 884 CG PHE A 62 3.207 3.399 4.696 1.00 0.00 C ATOM 885 CD1 PHE A 62 3.981 3.296 5.810 1.00 0.00 C ATOM 886 CD2 PHE A 62 3.646 2.888 3.514 1.00 0.00 C ATOM 887 CE1 PHE A 62 5.245 2.654 5.740 1.00 0.00 C ATOM 888 CE2 PHE A 62 4.912 2.247 3.445 1.00 0.00 C ATOM 889 CZ PHE A 62 5.684 2.143 4.559 1.00 0.00 C ATOM 0 H PHE A 62 -0.134 5.281 4.147 1.00 0.00 H new ATOM 0 HA PHE A 62 2.171 6.141 5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.405 3.897 5.751 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.180 3.644 4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.634 3.703 6.748 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.033 2.970 2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.858 2.571 6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.261 1.842 2.507 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.646 1.655 4.506 1.00 0.00 H new ATOM 898 N ASN A 63 2.614 5.559 2.240 1.00 0.00 N ATOM 899 CA ASN A 63 3.517 5.788 1.125 1.00 0.00 C ATOM 900 C ASN A 63 3.864 7.276 1.051 1.00 0.00 C ATOM 901 O ASN A 63 5.036 7.641 0.967 1.00 0.00 O ATOM 902 CB ASN A 63 2.867 5.388 -0.202 1.00 0.00 C ATOM 903 CG ASN A 63 3.392 4.034 -0.683 1.00 0.00 C ATOM 904 OD1 ASN A 63 4.374 3.939 -1.403 1.00 0.00 O ATOM 905 ND2 ASN A 63 2.688 2.994 -0.246 1.00 0.00 N ATOM 0 H ASN A 63 1.727 5.123 1.988 1.00 0.00 H new ATOM 0 HA ASN A 63 4.410 5.184 1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.785 5.340 -0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.071 6.149 -0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.959 2.047 -0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.877 3.143 0.354 1.00 0.00 H new ATOM 911 N ARG A 64 2.824 8.096 1.088 1.00 0.00 N ATOM 912 CA ARG A 64 3.003 9.536 1.027 1.00 0.00 C ATOM 913 C ARG A 64 3.941 10.002 2.142 1.00 0.00 C ATOM 914 O ARG A 64 4.946 10.660 1.878 1.00 0.00 O ATOM 915 CB ARG A 64 1.663 10.264 1.159 1.00 0.00 C ATOM 916 CG ARG A 64 0.664 9.767 0.113 1.00 0.00 C ATOM 917 CD ARG A 64 0.466 10.804 -0.994 1.00 0.00 C ATOM 918 NE ARG A 64 0.384 10.130 -2.310 1.00 0.00 N ATOM 919 CZ ARG A 64 0.139 10.765 -3.464 1.00 0.00 C ATOM 920 NH1 ARG A 64 -0.049 12.092 -3.473 1.00 0.00 N ATOM 921 NH2 ARG A 64 0.085 10.073 -4.610 1.00 0.00 N ATOM 0 H ARG A 64 1.854 7.790 1.160 1.00 0.00 H new ATOM 0 HA ARG A 64 3.439 9.775 0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.257 10.107 2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.815 11.337 1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.020 8.832 -0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.292 9.553 0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.445 11.374 -0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.293 11.514 -0.991 1.00 0.00 H new ATOM 0 HE ARG A 64 0.523 9.120 -2.340 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.006 12.619 -2.601 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.235 12.575 -4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.230 9.063 -4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.102 10.556 -5.489 1.00 0.00 H new ATOM 932 N ARG A 65 3.580 9.642 3.364 1.00 0.00 N ATOM 933 CA ARG A 65 4.376 10.016 4.521 1.00 0.00 C ATOM 934 C ARG A 65 5.830 9.577 4.328 1.00 0.00 C ATOM 935 O ARG A 65 6.746 10.391 4.437 1.00 0.00 O ATOM 936 CB ARG A 65 3.825 9.379 5.798 1.00 0.00 C ATOM 937 CG ARG A 65 2.971 10.377 6.584 1.00 0.00 C ATOM 938 CD ARG A 65 3.840 11.475 7.200 1.00 0.00 C ATOM 939 NE ARG A 65 4.402 11.011 8.489 1.00 0.00 N ATOM 940 CZ ARG A 65 5.508 11.518 9.051 1.00 0.00 C ATOM 941 NH1 ARG A 65 6.176 12.507 8.442 1.00 0.00 N ATOM 942 NH2 ARG A 65 5.945 11.036 10.223 1.00 0.00 N ATOM 0 H ARG A 65 2.746 9.095 3.579 1.00 0.00 H new ATOM 0 HA ARG A 65 4.329 11.100 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.227 8.504 5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.650 9.031 6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.227 10.824 5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.426 9.855 7.371 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.647 11.739 6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.246 12.376 7.356 1.00 0.00 H new ATOM 0 HE ARG A 65 3.918 10.259 8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.843 12.874 7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.018 12.893 8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.436 10.284 10.687 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.787 11.422 10.651 1.00 0.00 H new ATOM 953 N HIS A 66 5.994 8.295 4.043 1.00 0.00 N ATOM 954 CA HIS A 66 7.321 7.739 3.833 1.00 0.00 C ATOM 955 C HIS A 66 8.038 8.525 2.734 1.00 0.00 C ATOM 956 O HIS A 66 9.029 9.204 2.998 1.00 0.00 O ATOM 957 CB HIS A 66 7.242 6.240 3.535 1.00 0.00 C ATOM 958 CG HIS A 66 8.096 5.388 4.442 1.00 0.00 C ATOM 959 ND1 HIS A 66 8.066 5.497 5.822 1.00 0.00 N ATOM 960 CD2 HIS A 66 9.002 4.410 4.153 1.00 0.00 C ATOM 961 CE1 HIS A 66 8.920 4.621 6.330 1.00 0.00 C ATOM 962 NE2 HIS A 66 9.499 3.949 5.294 1.00 0.00 N ATOM 0 H HIS A 66 5.231 7.624 3.952 1.00 0.00 H new ATOM 0 HA HIS A 66 7.909 7.838 4.745 1.00 0.00 H new ATOM 0 HB2 HIS A 66 6.204 5.917 3.621 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.544 6.069 2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.269 4.069 3.164 1.00 0.00 H new ATOM 0 HE1 HIS A 66 9.122 4.466 7.380 1.00 0.00 H new ATOM 0 HE2 HIS A 66 10.199 3.213 5.382 1.00 0.00 H new ATOM 969 N THR A 67 7.510 8.407 1.525 1.00 0.00 N ATOM 970 CA THR A 67 8.088 9.098 0.385 1.00 0.00 C ATOM 971 C THR A 67 8.183 10.599 0.664 1.00 0.00 C ATOM 972 O THR A 67 7.425 11.134 1.472 1.00 0.00 O ATOM 973 CB THR A 67 7.247 8.761 -0.848 1.00 0.00 C ATOM 974 OG1 THR A 67 7.377 7.348 -0.981 1.00 0.00 O ATOM 975 CG2 THR A 67 7.853 9.314 -2.139 1.00 0.00 C ATOM 0 H THR A 67 6.688 7.843 1.310 1.00 0.00 H new ATOM 0 HA THR A 67 9.110 8.768 0.199 1.00 0.00 H new ATOM 0 HB THR A 67 6.240 9.159 -0.720 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.672 6.905 -0.464 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.217 9.047 -2.983 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.928 10.399 -2.070 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.847 8.891 -2.285 1.00 0.00 H new ATOM 983 N GLU A 68 9.120 11.237 -0.022 1.00 0.00 N ATOM 984 CA GLU A 68 9.323 12.667 0.141 1.00 0.00 C ATOM 985 C GLU A 68 8.308 13.447 -0.696 1.00 0.00 C ATOM 986 O GLU A 68 8.235 13.272 -1.911 1.00 0.00 O ATOM 987 CB GLU A 68 10.755 13.062 -0.225 1.00 0.00 C ATOM 988 CG GLU A 68 11.753 12.522 0.801 1.00 0.00 C ATOM 989 CD GLU A 68 13.067 12.118 0.128 1.00 0.00 C ATOM 990 OE1 GLU A 68 13.593 12.954 -0.638 1.00 0.00 O ATOM 991 OE2 GLU A 68 13.515 10.981 0.395 1.00 0.00 O ATOM 0 H GLU A 68 9.747 10.790 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 68 9.168 12.919 1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.001 12.676 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.834 14.148 -0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.947 13.281 1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.323 11.661 1.314 1.00 0.00 H new ATOM 996 N LYS A 69 7.549 14.292 -0.012 1.00 0.00 N ATOM 997 CA LYS A 69 6.541 15.099 -0.677 1.00 0.00 C ATOM 998 C LYS A 69 6.215 16.316 0.191 1.00 0.00 C ATOM 999 O LYS A 69 6.253 16.237 1.417 1.00 0.00 O ATOM 1000 CB LYS A 69 5.320 14.248 -1.028 1.00 0.00 C ATOM 1001 CG LYS A 69 5.305 13.898 -2.518 1.00 0.00 C ATOM 1002 CD LYS A 69 4.404 14.857 -3.299 1.00 0.00 C ATOM 1003 CE LYS A 69 4.045 14.280 -4.668 1.00 0.00 C ATOM 1004 NZ LYS A 69 2.902 15.013 -5.257 1.00 0.00 N ATOM 0 H LYS A 69 7.613 14.435 0.996 1.00 0.00 H new ATOM 0 HA LYS A 69 6.920 15.477 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.328 13.333 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.409 14.788 -0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.319 13.942 -2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.954 12.875 -2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.493 15.049 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.909 15.815 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.906 14.343 -5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.795 13.224 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.672 14.608 -6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.077 14.931 -4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.153 16.016 -5.369 1.00 0.00 H new ATOM 1014 N GLN A 70 5.900 17.415 -0.481 1.00 0.00 N ATOM 1015 CA GLN A 70 5.567 18.647 0.215 1.00 0.00 C ATOM 1016 C GLN A 70 4.050 18.779 0.361 1.00 0.00 C ATOM 1017 O GLN A 70 3.403 19.464 -0.432 1.00 0.00 O ATOM 1018 CB GLN A 70 6.156 19.860 -0.508 1.00 0.00 C ATOM 1019 CG GLN A 70 7.444 20.330 0.172 1.00 0.00 C ATOM 1020 CD GLN A 70 7.143 20.989 1.520 1.00 0.00 C ATOM 1021 OE1 GLN A 70 6.090 20.804 2.109 1.00 0.00 O ATOM 1022 NE2 GLN A 70 8.123 21.765 1.974 1.00 0.00 N ATOM 0 H GLN A 70 5.868 17.478 -1.499 1.00 0.00 H new ATOM 0 HA GLN A 70 6.007 18.610 1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.362 19.604 -1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.428 20.671 -0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.112 19.482 0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.964 21.037 -0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.979 21.876 1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.019 22.249 2.866 1.00 0.00 H new ATOM 1029 N LYS A 71 3.525 18.114 1.379 1.00 0.00 N ATOM 1030 CA LYS A 71 2.096 18.149 1.639 1.00 0.00 C ATOM 1031 C LYS A 71 1.857 18.577 3.089 1.00 0.00 C ATOM 1032 O LYS A 71 2.458 18.027 4.010 1.00 0.00 O ATOM 1033 CB LYS A 71 1.452 16.809 1.280 1.00 0.00 C ATOM 1034 CG LYS A 71 -0.061 16.954 1.113 1.00 0.00 C ATOM 1035 CD LYS A 71 -0.810 16.056 2.099 1.00 0.00 C ATOM 1036 CE LYS A 71 -1.895 16.841 2.839 1.00 0.00 C ATOM 1037 NZ LYS A 71 -3.203 16.683 2.164 1.00 0.00 N ATOM 0 H LYS A 71 4.064 17.547 2.034 1.00 0.00 H new ATOM 0 HA LYS A 71 1.611 18.889 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.888 16.428 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.667 16.078 2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.350 17.993 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.344 16.695 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.261 15.220 1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.108 15.633 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.966 16.491 3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.625 17.896 2.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.927 17.222 2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.136 17.038 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.466 15.677 2.148 1.00 0.00 H new ATOM 1047 N GLU A 72 0.977 19.556 3.245 1.00 0.00 N ATOM 1048 CA GLU A 72 0.651 20.064 4.567 1.00 0.00 C ATOM 1049 C GLU A 72 -0.857 20.296 4.689 1.00 0.00 C ATOM 1050 O GLU A 72 -1.437 21.057 3.915 1.00 0.00 O ATOM 1051 CB GLU A 72 1.429 21.346 4.869 1.00 0.00 C ATOM 1052 CG GLU A 72 1.964 21.338 6.302 1.00 0.00 C ATOM 1053 CD GLU A 72 2.880 22.538 6.553 1.00 0.00 C ATOM 1054 OE1 GLU A 72 3.693 22.830 5.650 1.00 0.00 O ATOM 1055 OE2 GLU A 72 2.745 23.137 7.642 1.00 0.00 O ATOM 0 H GLU A 72 0.480 20.010 2.479 1.00 0.00 H new ATOM 0 HA GLU A 72 0.945 19.317 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.258 21.446 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.782 22.211 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.131 21.359 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.512 20.414 6.484 1.00 0.00 H new ATOM 1060 N SER A 73 -1.449 19.627 5.667 1.00 0.00 N ATOM 1061 CA SER A 73 -2.877 19.750 5.900 1.00 0.00 C ATOM 1062 C SER A 73 -3.131 20.441 7.242 1.00 0.00 C ATOM 1063 O SER A 73 -3.723 21.518 7.286 1.00 0.00 O ATOM 1064 CB SER A 73 -3.561 18.381 5.871 1.00 0.00 C ATOM 1065 OG SER A 73 -4.980 18.495 5.789 1.00 0.00 O ATOM 0 H SER A 73 -0.965 18.998 6.307 1.00 0.00 H new ATOM 0 HA SER A 73 -3.302 20.356 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.193 17.810 5.019 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.293 17.823 6.768 1.00 0.00 H new ATOM 0 HG SER A 73 -5.380 17.600 5.771 1.00 0.00 H new ATOM 1070 N GLY A 74 -2.671 19.793 8.301 1.00 0.00 N ATOM 1071 CA GLY A 74 -2.841 20.332 9.640 1.00 0.00 C ATOM 1072 C GLY A 74 -3.157 19.220 10.643 1.00 0.00 C ATOM 1073 O GLY A 74 -3.632 18.151 10.261 1.00 0.00 O ATOM 0 H GLY A 74 -2.181 18.900 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.933 20.853 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.646 21.067 9.641 1.00 0.00 H new ATOM 1077 N PRO A 75 -2.873 19.517 11.939 1.00 0.00 N ATOM 1078 CA PRO A 75 -3.123 18.554 12.999 1.00 0.00 C ATOM 1079 C PRO A 75 -4.617 18.460 13.312 1.00 0.00 C ATOM 1080 O PRO A 75 -5.393 19.335 12.930 1.00 0.00 O ATOM 1081 CB PRO A 75 -2.300 19.047 14.179 1.00 0.00 C ATOM 1082 CG PRO A 75 -1.990 20.507 13.891 1.00 0.00 C ATOM 1083 CD PRO A 75 -2.310 20.772 12.429 1.00 0.00 C ATOM 0 HA PRO A 75 -2.834 17.540 12.723 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.854 18.942 15.112 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.383 18.467 14.285 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.582 21.157 14.535 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.942 20.723 14.097 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.019 21.593 12.321 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.415 21.049 11.872 1.00 0.00 H new ATOM 1088 N SER A 76 -4.978 17.388 14.003 1.00 0.00 N ATOM 1089 CA SER A 76 -6.366 17.166 14.371 1.00 0.00 C ATOM 1090 C SER A 76 -6.502 15.843 15.127 1.00 0.00 C ATOM 1091 O SER A 76 -6.178 14.783 14.593 1.00 0.00 O ATOM 1092 CB SER A 76 -7.270 17.168 13.137 1.00 0.00 C ATOM 1093 OG SER A 76 -8.481 17.883 13.364 1.00 0.00 O ATOM 0 H SER A 76 -4.333 16.664 14.318 1.00 0.00 H new ATOM 0 HA SER A 76 -6.682 17.982 15.021 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.737 17.615 12.298 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.503 16.141 12.856 1.00 0.00 H new ATOM 0 HG SER A 76 -9.030 17.863 12.552 1.00 0.00 H new ATOM 1098 N SER A 77 -6.982 15.947 16.358 1.00 0.00 N ATOM 1099 CA SER A 77 -7.165 14.772 17.192 1.00 0.00 C ATOM 1100 C SER A 77 -8.457 14.900 18.001 1.00 0.00 C ATOM 1101 O SER A 77 -9.041 15.980 18.076 1.00 0.00 O ATOM 1102 CB SER A 77 -5.971 14.570 18.128 1.00 0.00 C ATOM 1103 OG SER A 77 -5.883 15.598 19.111 1.00 0.00 O ATOM 0 H SER A 77 -7.250 16.828 16.798 1.00 0.00 H new ATOM 0 HA SER A 77 -7.236 13.899 16.543 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.058 13.602 18.622 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.052 14.548 17.543 1.00 0.00 H new ATOM 0 HG SER A 77 -5.110 15.432 19.689 1.00 0.00 H new ATOM 1108 N GLY A 78 -8.866 13.783 18.584 1.00 0.00 N ATOM 1109 CA GLY A 78 -10.077 13.757 19.385 1.00 0.00 C ATOM 1110 C GLY A 78 -10.395 12.336 19.854 1.00 0.00 C ATOM 1111 O GLY A 78 -9.541 11.453 19.791 1.00 0.00 O ATOM 0 H GLY A 78 -8.380 12.889 18.517 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.960 14.411 20.249 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.911 14.146 18.802 1.00 0.00 H new TER 1115 GLY A 78